Modeling of Transmittance Degradation Caused by Optical Surface Contamination by Atomic Oxygen Reaction with Adsorbed Silicones

NASA Technical Reports Server (NTRS)

Snyder, Aaron; Banks, Bruce; Miller, Sharon; Stueber, Thomas; Sechkar, Edward

2001-01-01

A numerical procedure is presented to calculate transmittance degradation caused by contaminant films on spacecraft surfaces produced through the interaction of orbital atomic oxygen (AO) with volatile silicones and hydrocarbons from spacecraft components. In the model, contaminant accretion is dependent on the adsorption of species, depletion reactions due to gas-surface collisions, desorption, and surface reactions between AO and silicone producing SiO(x), (where x is near 2). A detailed description of the procedure used to calculate the constituents of the contaminant layer is presented, including the equations that govern the evolution of fractional coverage by specie type. As an illustrative example of film growth, calculation results using a prototype code that calculates the evolution of surface coverage by specie type is presented and discussed. An example of the transmittance degradation caused by surface interaction of AO with deposited contaminant is presented for the case of exponentially decaying contaminant flux. These examples are performed using hypothetical values for the process parameters.

Volumetric Image Guidance Using Carina vs Spine as Registration Landmarks for Conventionally Fractionated Lung Radiotherapy

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

Lavoie, Caroline; Higgins, Jane; Bissonnette, Jean-Pierre

2012-12-01

Purpose: To compare the relative accuracy of 2 image guided radiation therapy methods using carina vs spine as landmarks and then to identify which landmark is superior relative to tumor coverage. Methods and Materials: For 98 lung patients, 2596 daily image-guidance cone-beam computed tomography scans were analyzed. Tattoos were used for initial patient alignment; then, spine and carina registrations were performed independently. A separate analysis assessed the adequacy of gross tumor volume, internal target volume, and planning target volume coverage on cone-beam computed tomography using the initial, middle, and final fractions of radiation therapy. Coverage was recorded for primary tumormore » (T), nodes (N), and combined target (T+N). Three scenarios were compared: tattoos alignment, spine registration, and carina registration. Results: Spine and carina registrations identified setup errors {>=}5 mm in 35% and 46% of fractions, respectively. The mean vector difference between spine and carina matching had a magnitude of 3.3 mm. Spine and carina improved combined target coverage, compared with tattoos, in 50% and 34% (spine) to 54% and 46% (carina) of the first and final fractions, respectively. Carina matching showed greater combined target coverage in 17% and 23% of fractions for the first and final fractions, respectively; with spine matching, this was only observed in 4% (first) and 6% (final) of fractions. Carina matching provided superior nodes coverage at the end of radiation compared with spine matching (P=.0006), without compromising primary tumor coverage. Conclusion: Frequent patient setup errors occur in locally advanced lung cancer patients. Spine and carina registrations improved combined target coverage throughout the treatment course, but carina matching provided superior combined target coverage.« less

Periodic domain boundary ordering in a dense molecular adlayer: Sub-saturation carbon monoxide on Pd(111)

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

Xu, Pan; Liu, Shizhong; Hong, Sung -Young

Here, we describe a previously unreported ordered phase of carbon monoxide adsorbed on the (111) facet of single crystal palladium at near-saturation coverage. The adlayer superstructure is identified from low energy electron diffraction to be c(16×2) with respect to the underlying Pd(111) surface net. The ideal coverage is determined to be 0.6875 ML, approximately 92% of the 0.75–ML saturation coverage. Density functional theory calculations support a model for the molecular packing characterized by strips of locally-saturated (2×2) regions, with the CO bound near high-symmetry surface sites, separated by antiphase domain boundaries. The structure exists in a narrow coverage range andmore » is prepared by heating the saturated adlayer to desorb a small fraction of the CO. Comparison of the c(16×2) domain-boundary structure with structural motifs at lower coverages suggests that between 0.6 and 0.6875 ML the adlayer order may be more strongly influenced by interadsorbate repulsion than by adsorption-site-specific interactions. The system is an example of the structural complexity that results from the compromise between adsorbate–substrate and adsorbate–adsorbate interactions.« less

Periodic domain boundary ordering in a dense molecular adlayer: Sub-saturation carbon monoxide on Pd(111)

DOE PAGES

Xu, Pan; Liu, Shizhong; Hong, Sung -Young; ...

2016-12-31

Here, we describe a previously unreported ordered phase of carbon monoxide adsorbed on the (111) facet of single crystal palladium at near-saturation coverage. The adlayer superstructure is identified from low energy electron diffraction to be c(16×2) with respect to the underlying Pd(111) surface net. The ideal coverage is determined to be 0.6875 ML, approximately 92% of the 0.75–ML saturation coverage. Density functional theory calculations support a model for the molecular packing characterized by strips of locally-saturated (2×2) regions, with the CO bound near high-symmetry surface sites, separated by antiphase domain boundaries. The structure exists in a narrow coverage range andmore » is prepared by heating the saturated adlayer to desorb a small fraction of the CO. Comparison of the c(16×2) domain-boundary structure with structural motifs at lower coverages suggests that between 0.6 and 0.6875 ML the adlayer order may be more strongly influenced by interadsorbate repulsion than by adsorption-site-specific interactions. The system is an example of the structural complexity that results from the compromise between adsorbate–substrate and adsorbate–adsorbate interactions.« less

Contribution of coated humic acids calculated through their surface coverage on nano iron oxides for ofloxacin and norfloxacin sorption.

PubMed

Peng, Hongbo; Liang, Ni; Li, Hao; Chen, Fangyuan; Zhang, Di; Pan, Bo; Xing, Baoshan

2015-09-01

Sorption of organic contaminants on organo-mineral complexes has been investigated extensively, but the sorption contribution of mineral particles was not properly addressed before calculating KOC, especially for ionic organic contaminants. We measured the surface coverage of a humic acid (HA) on nano iron oxides (n-Fe2O3) in a series of synthesized organo-mineral complexes. The contribution of the coated HA to ofloxacin (OFL) and norfloxacin (NOR) sorption in HA-n-Fe2O3 complexes was over 80% of the total sorption with the surface coverage of 36% and fOC of 1.6%. All the coated HA showed higher sorption to NOR and OFL in comparison to the original HA, suggesting HA fractionation and/or physical re-conformation during organo-mineral complex formation. The decreased KOC with multilayer coating may suggest the importance of site-specific interactions for OFL sorption, while the increased KOC with multilayer coating may suggest the importance of partitioning in hydrophobic region for NOR sorption. Copyright © 2015 Elsevier Ltd. All rights reserved.

A surface hydrology model for regional vector borne disease models

NASA Astrophysics Data System (ADS)

Tompkins, Adrian; Asare, Ernest; Bomblies, Arne; Amekudzi, Leonard

2016-04-01

Small, sun-lit temporary pools that form during the rainy season are important breeding sites for many key mosquito vectors responsible for the transmission of malaria and other diseases. The representation of this surface hydrology in mathematical disease models is challenging, due to their small-scale, dependence on the terrain and the difficulty of setting soil parameters. Here we introduce a model that represents the temporal evolution of the aggregate statistics of breeding sites in a single pond fractional coverage parameter. The model is based on a simple, geometrical assumption concerning the terrain, and accounts for the processes of surface runoff, pond overflow, infiltration and evaporation. Soil moisture, soil properties and large-scale terrain slope are accounted for using a calibration parameter that sets the equivalent catchment fraction. The model is calibrated and then evaluated using in situ pond measurements in Ghana and ultra-high (10m) resolution explicit simulations for a village in Niger. Despite the model's simplicity, it is shown to reproduce the variability and mean of the pond aggregate water coverage well for both locations and validation techniques. Example malaria simulations for Uganda will be shown using this new scheme with a generic calibration setting, evaluated using district malaria case data. Possible methods for implementing regional calibration will be briefly discussed.

Effects of surface imperfections on the binding of CH 3OH and H 2O on FeS 2(100): using adsorbed Xe as a probe of mineral surface structure

NASA Astrophysics Data System (ADS)

Guevremont, J. M.; Strongin, D. R.; Schoonen, M. A. A.

1997-11-01

Studies are presented that investigate the adsorption and binding of CH 3OH and H 2O on the atomically clean (100) crystallographic plane of pyrite, FeS 2. Temperature programmed desorption suggests that both reactants adsorb molecularly at 90 K and desorb thermally between 170 and 400 K depending on the surface coverage. Photoemission of adsorbed xenon (PAX) suggests that the surface of pyrite is heterogeneous and contains a significant fraction of defect sites that are believed to be, at least in part, anion vacancy or sulfur-deficient sites. An upper limit of 0.2 is proposed for the fraction of surface sites that are defects on FeS 2(100). PAX indicates that these defect sites at low adsorbate coverage serve as the exclusive binding sites for H 2O and CH 3OH adsorbate. We speculate, on the basis of our ability to interpret PAX data for pyrite, that PAX may be of use for understanding the effect of short range order on adsorbate binding on other complex mineral surfaces. On the basis of high resolution electron energy loss spectroscopy, it is found that some dissociation of the adsorbate occurs on the pyrite. Vibrational data obtained with this technique suggests that FeO species result from the adsorbate decomposition. After saturation of the defect sites, further molecular adsorption is accommodated on the less reactive surface that we postulate is largely disulfide, the characteristic structural group of pyrite.

Pattern recognition analysis of polar clouds during summer and winter

NASA Technical Reports Server (NTRS)

Ebert, Elizabeth E.

1992-01-01

A pattern recognition algorithm is demonstrated which classifies eighteen surface and cloud types in high-latitude AVHRR imagery based on several spectral and textural features, then estimates the cloud properties (fractional coverage, albedo, and brightness temperature) using a hybrid histogram and spatial coherence technique. The summertime version of the algorithm uses both visible and infrared data (AVHRR channels 1-4), while the wintertime version uses only infrared data (AVHRR channels 3-5). Three days of low-resolution AVHRR imagery from the Arctic and Antarctic during January and July 1984 were analyzed for cloud type and fractional coverage. The analysis showed significant amounts of high cloudiness in the Arctic during one day in winter. The Antarctic summer scene was characterized by heavy cloud cover in the southern ocean and relatively clear conditions in the continental interior. A large region of extremely low brightness temperatures in East Antarctica during winter suggests the presence of polar stratospheric cloud.

Theoretical and experimental studies of hydrogen adsorption and desorption on Ir surfaces

DOE PAGES

Kaghazchi, Payam; Jacob, Timo; Chen, Wenhua; ...

2013-06-03

Here, we report adsorption and desorption of hydrogen on planar Ir(210) and faceted Ir(210), consisting of nanoscale {311} and (110) facets, by means of temperature programmed desorption (TPD) and density functional theory (DFT) in combination with the ab initio atomistic thermodynamics approach. TPD spectra show that only one H 2 peak is seen from planar Ir(210) at all coverages whereas a single H 2 peak is observed at around 440 K (F1) at fractional monolayer (ML) coverage and an additional H 2 peak appears at around 360 K (F2) at 1 ML coverage on faceted Ir(210), implying structure sensitivity inmore » recombination and desorption of hydrogen on faceted Ir(210) versus planar Ir(210), but no evidence is found for size effects in recombination and desorption of hydrogen on faceted Ir(210) for average facet sizes of 5-14 nm. Calculations indicate that H prefers to bind at the two-fold short-bridge sites of the Ir surfaces. In addition, we studied the stability of the Ir surfaces in the presence of hydrogen at different H coverages through surface free energy plots as a function of the chemical potential, which is also converted to a temperature scale. Moreover, the calculations revealed the origin of the two TPD peaks of H 2 from faceted Ir(210): F1 from desorption of H 2 on {311} facets while F2 from desorption of H 2 on (110) facets.« less

Historical Analysis of Melt Pond Fraction on Arctic Sea Ice Through the Synthesis of High- and Medium- Resolution Optical Satellite Remote Sensing.

NASA Astrophysics Data System (ADS)

Wright, N.; Polashenski, C. M.

2017-12-01

Snow, ice, and melt ponds cover the surface of the Arctic Ocean in fractions that change throughout the seasons. These surfaces exert tremendous influence over the energy balance of the Arctic Ocean by controlling the absorption of solar radiation. Here we demonstrate the use of a newly released, open source, image classification algorithm designed to identify surface features in high resolution optical satellite imagery of sea ice. Through explicitly resolving individual features on the surface, the algorithm can determine the percentage of ice that is covered by melt ponds with a high degree of certainty. We then compare observations of melt pond fraction extracted from these images with an established method of estimating melt pond fraction from medium resolution satellite images (e.g. MODIS). Because high resolution satellite imagery does not provide the spatial footprint needed to examine the entire Arctic basin, we propose a method of synthesizing both high and medium resolution satellite imagery for an improved determination of melt pond fraction across whole Arctic. We assess the historical trends of melt pond fraction in the Arctic ocean, and address the question: Is pond coverage changing in response to changing ice conditions? Furthermore, we explore the image area that must be observed in order to get a locally representative sample (i.e. the aggregate scale), and show that it is possible to determine accurate estimates of melt pond fraction by observing sample areas significantly smaller than the typical footprint of high-resolution satellite imagery.

Free Flow Zonal Electrophoresis for Fractionation of Plant Membrane Compartments Prior to Proteomic Analysis.

PubMed

Barkla, Bronwyn J

2018-01-01

Free flow zonal electrophoresis (FFZE) is a versatile, reproducible, and potentially high-throughput technique for the separation of plant organelles and membranes by differences in membrane surface charge. It offers considerable benefits over traditional fractionation techniques, such as density gradient centrifugation and two-phase partitioning, as it is relatively fast, sample recovery is high, and the method provides unparalleled sample purity. It has been used to successfully purify chloroplasts and mitochondria from plants but also, to obtain highly pure fractions of plasma membrane, tonoplast, ER, Golgi, and thylakoid membranes. Application of the technique can significantly improve protein coverage in large-scale proteomics studies by decreasing sample complexity. Here, we describe the method for the fractionation of plant cellular membranes from leaves by FFZE.

Microscale soil structure development after glacial retreat - using machine-learning based segmentation of elemental distributions obtained by NanoSIMS

NASA Astrophysics Data System (ADS)

Schweizer, Steffen; Schlueter, Steffen; Hoeschen, Carmen; Koegel-Knabner, Ingrid; Mueller, Carsten W.

2017-04-01

Soil organic matter (SOM) is distributed on mineral surfaces depending on physicochemical soil properties that vary at the submicron scale. Nanoscale secondary ion mass spectrometry (NanoSIMS) can be used to visualize the spatial distribution of up to seven elements simultaneously at a lateral resolution of approximately 100 nm from which patterns of SOM coatings can be derived. Existing computational methods are mostly confined to visualization and lack spatial quantification measures of coverage and connectivity of organic matter coatings. This study proposes a methodology for the spatial analysis of SOM coatings based on supervised pixel classification and automatic image analysis of the 12C, 12C14N (indicative for SOM) and 16O (indicative for mineral surfaces) secondary ion distributions. The image segmentation of the secondary ion distributions into mineral particle surface and organic coating was done with a machine learning algorithm, which accounts for multiple features like size, color, intensity, edge and texture in all three ion distributions simultaneously. Our workflow allowed the spatial analysis of differences in the SOM coverage during soil development in the Damma glacier forefield (Switzerland) based on NanoSIMS measurements (n=121; containing ca. 4000 particles). The Damma chronosequence comprises several stages of soil development with increasing ice-free period (from ca. 15 to >700 years). To investigate mineral-associated SOM in the developing soil we obtained clay fractions (<2 μm) from two density fractions: light mineral (1.6 to 2.2 g cm3) and heavy mineral (>2.2 g cm3). We found increased coverage and a simultaneous development from patchy-distributed organic coatings to more connected coatings with increasing time after glacial retreat. The normalized N:C ratio (12C14N: (12C14N + 12C)) on the organic matter coatings was higher in the medium-aged soils than in the young and mature ones in both heavy and light mineral fraction. This reflects the sequential accumulation of proteinaceous SOM in the medium-aged soils and C-rich compounds in the mature soils. The results of our microscale image analysis correlated well with the SOM concentration of the fractions measured by elemental analyzer. Image analysis in combination with secondary ion distributions provides a powerful tool at the required microscale and enhances our mechanistic understanding of SOM stabilization in soil.

Reducing the biases in simulated polar climate by incorporating realistic surface spectral emissivity into the global climate model

NASA Astrophysics Data System (ADS)

Huang, X.; Chen, X.; Flanner, M.; Yang, P.; Feldman, D.; Kuo, C.

2017-12-01

Surface longwave emissivity can be less than unity and vary significantly with frequency. The emissivities of water, ice, and bare land all exhibit different spectral dependence, for both the far-IR and mid-IR bands. However, most climate models still assume blackbody surface in the longwave (LW) radiation scheme of their atmospheric modules. This study incorporates realistic surface spectral emissivity into the RRTMG_LW, the LW radiation scheme in CAM, which is the atmospheric component of the NCAR Community Earth System Model (CESM) version 1.1.1. Then we evaluate its impact on simulated climatology, especially for the polar regions. By ensuring the consistency of the broadband longwave flux across different modules of the CESM, the TOA energy balance in the simulation can be attained without additional tuning of the model. While the impact on global mean surface temperature is small, the surface temperature differences in Polar Regions are statistically significant. The mean surface temperature in Arctic in the modified CESM is 1.5K warmer than that in the standard CESM, reducing the cold bias that the standard CESM has with respect to observations. Accordingly the sea ice fraction in the modified CESM simulation is less than that in the standard CESM simulation by as much as 0.1, which significantly reduces the positive biases in the simulated sea ice coverage by the CESM. The largest sea-ice coverage difference happens in August and September, when new sea ice starts to form. The similar changes can be seen for the simulated Antarctic surface climate as well. In a nutshell, incorporating realistic surface spectral emissivity helps improving the fidelity of simulated surface energy budget in the polar region, which leads to a better simulation of the surface temperature and sea ice coverage.

What Fraction of Medicaid Enrollees Have Private Insurance Coverage at the Time of Enrollment? Estimates from Administrative Data

PubMed Central

DeLeire, Thomas; Friedsam, Donna; Leininger, Lindsey; Meier, Sarah; Voskuil, Kristen

2014-01-01

We use administrative data from Wisconsin to determine the fraction of new Medicaid enrollees who have private health insurance at the time of enrollment in the program. Through the linkage of several administrative data sources not previously used for research, we are able to observe coverage status directly for a large fraction of enrollees and indirectly for the remainder. We provide strict bounds for the percentages in each status and find that the percentage of new enrollees with private insurance coverage at the time of enrollment lies between 16 percent and 29 percent, and the percentage that dropped private coverage in favor of public insurance lies between 4 percent and 18 percent. Our point estimates indicate that, among all new enrollees, 21 percent had private health insurance at the time of enrollment and that 10 percent dropped this coverage. Our results show substantially lower rates than previous studies of crowd-out following public health insurance expansions and significant rates of dual coverage, whereby new enrollees into public insurance retain their previously held private insurance coverage. PMID:25316718

Gallium isotope fractionation during Ga adsorption on calcite and goethite

NASA Astrophysics Data System (ADS)

Yuan, Wei; Saldi, Giuseppe D.; Chen, JiuBin; Vetuschi Zuccolini, Marino; Birck, Jean-Louis; Liu, Yujie; Schott, Jacques

2018-02-01

Gallium (Ga) isotopic fractionation during its adsorption on calcite and goethite was investigated at 20 °C as a function of the solution pH, Ga aqueous concentration and speciation, and the solid to solution ratio. In all experiments Ga was found to be enriched in light isotopes at the solid surface with isotope fractionation △71Gasolid-solution up to -1.27‰ and -0.89‰ for calcite and goethite, respectively. Comparison of Ga isotopic data of this study with predictions for 'closed system' equilibrium and 'Rayleigh fractionation' models indicates that the experimental data are consistent with a 'closed system' equilibrium exchange between the fluid and the solid. The results of this study can be interpreted based on Ga aqueous speciation and the structure of Ga complexes formed at the solid surfaces. For calcite, Ga isotope fractionation is mainly triggered by increased Ga coordination and Ga-O bond length, which vary respectively from 4 and 1.84 Å in Ga(OH)4- to 6 and 1.94 Å in the >Ca-O-GaOH(OH2)4+ surface complex. For goethite, despite the formation of Ga hexa-coordinated >FeOGa(OH)20 surface complexes (Ga-O distances of 1.96-1.98 Å) both at acid and alkaline pH, a similar extent of isotope fractionation was found at acid and alkaline pH, suggesting that Ga(OH)4- is preferentially adsorbed on goethite for all investigated pH conditions. In addition, the observed decrease of Ga isotope fractionation magnitude observed with increasing Ga surface coverage for both calcite and goethite is likely related to the formation of Ga surface polymers and/or hydroxides with reduced Ga-O distances. This first study of Ga isotope fractionation during solid-fluid interactions suggests that the adsorption of Ga by oxides, carbonates or clay minerals could yield significant Ga isotope fractionation between secondary minerals and surficial fluids including seawater. Ga isotopes thus should help to better characterize the surficial biogeochemical cycles of gallium and its geochemical analog aluminum.

[Responses of alpine grassland landscape in the source region of Shule River Basin to topographical factors and frozen ground types].

PubMed

Chen, Jian-Jun; Yi, Shu-Hua; Qin, Yu; Wang, Xiao-Yun

2014-06-01

This paper retrieved the fractional vegetation cover of alpine grassland in the source region of the Shule River Basin based on Chinese environmental satellite (HJ-1A/1B) images and field data, and analyzed the response of the vegetation cover to topographic factors and types of frozen ground. The results showed that the vegetation coverage of this region was low with large spatial heterogeneity and high degree of dispersion. The landscape consisted mainly of non-vegetation surface types, eg. ice, snow, the bare rock gravel land and bare land. Slopes and aspects were the main limiting factors of vegetation distribution. The average vegetation coverage decreased with the increase of slope. The average vegetation coverage was the lowest on the sunny slope, and the highest on the shady slope. There were significant differences of vegetation coverage among different types of frozen ground. The distribution of vegetation coverage presented a reversed "U" curve trend by extremely stable permafrost, stable permafrost, sub-stable permafrost, transition permafrost, unstable permafrost and seasonal frost, and the average vegetation coverage was the highest in the sub-stable permafrost.

Thin sheets achieve optimal wrapping of liquids

NASA Astrophysics Data System (ADS)

Paulsen, Joseph; Démery, Vincent; Davidovitch, Benny; Santangelo, Christian; Russell, Thomas; Menon, Narayanan

2015-03-01

A liquid drop can wrap itself in a sheet using capillary forces [Py et al., PRL 98, 2007]. However, the efficiency of ``capillary origami'' at covering the surface of a drop is hampered by the mechanical cost of bending the sheet. Thinner sheets deform more readily by forming small-scale wrinkles and stress-focussing patterns, but it is unclear how coverage efficiency competes with mechanical cost as thickness is decreased, and what wrapping shapes will emerge. We place a thin (~ 100 nm) polymer film on a drop whose volume is gradually decreased so that the sheet covers an increasing fraction of its surface. The sheet exhibits a complex sequence of axisymmetric and polygonal partially- and fully- wrapped shapes. Remarkably, the progression appears independent of mechanical properties. The gross shape, which neglects small-scale features, is correctly predicted by a simple geometric approach wherein the exposed area is minimized. Thus, simply using a thin enough sheet results in maximal coverage.

Critical Motor Number for Fractional Steps of Cytoskeletal Filaments in Gliding Assays

PubMed Central

Li, Xin; Lipowsky, Reinhard; Kierfeld, Jan

2012-01-01

In gliding assays, filaments are pulled by molecular motors that are immobilized on a solid surface. By varying the motor density on the surface, one can control the number of motors that pull simultaneously on a single filament. Here, such gliding assays are studied theoretically using Brownian (or Langevin) dynamics simulations and taking the local force balance between motors and filaments as well as the force-dependent velocity of the motors into account. We focus on the filament stepping dynamics and investigate how single motor properties such as stalk elasticity and step size determine the presence or absence of fractional steps of the filaments. We show that each gliding assay can be characterized by a critical motor number, . Because of thermal fluctuations, fractional filament steps are only detectable as long as . The corresponding fractional filament step size is where is the step size of a single motor. We first apply our computational approach to microtubules pulled by kinesin-1 motors. For elastic motor stalks that behave as linear springs with a zero rest length, the critical motor number is found to be , and the corresponding distributions of the filament step sizes are in good agreement with the available experimental data. In general, the critical motor number depends on the elastic stalk properties and is reduced to for linear springs with a nonzero rest length. Furthermore, is shown to depend quadratically on the motor step size . Therefore, gliding assays consisting of actin filaments and myosin-V are predicted to exhibit fractional filament steps up to motor number . Finally, we show that fractional filament steps are also detectable for a fixed average motor number as determined by the surface density (or coverage) of the motors on the substrate surface. PMID:22927953

Surface Properties of PEMFC Gas Diffusion Layers

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

WoodIII, David L; Rulison, Christopher; Borup, Rodney

2010-01-01

The wetting properties of PEMFC Gas Diffusion Layers (GDLs) were quantified by surface characterization measurements and modeling of material properties. Single-fiber contact-angle and surface energy (both Zisman and Owens-Wendt) data of a wide spectrum of GDL types is presented to delineate the effects of hydrophobic post-processing treatments. Modeling of the basic sessile-drop contact angle demonstrates that this value only gives a fraction of the total picture of interfacial wetting physics. Polar forces are shown to contribute 10-20 less than dispersive forces to the composite wetting of GDLs. Internal water contact angles obtained from Owens-Wendt analysis were measured at 13-19 highermore » than their single-fiber counterparts. An inverse relationship was found between internal contact angle and both Owens-Wendt surface energy and % polarity of the GDL. The most sophisticated PEMFC mathematical models use either experimentally measured capillary pressures or the standard Young-Laplace capillary-pressure equation. Based on the results of the Owens-Wendt analysis, an advancement to the Young-Laplace equation is proposed for use in these mathematical models, which utilizes only solid surface energies and fractional surface coverage of fluoropolymer. Capillary constants for the spectrum of analyzed GDLs are presented for the same purpose.« less

Controlling Protein Surface Orientation by Strategic Placement of Oligo-Histidine Tags

PubMed Central

2017-01-01

We report oriented immobilization of proteins using the standard hexahistidine (His6)-Ni2+:NTA (nitrilotriacetic acid) methodology, which we systematically tuned to give control of surface coverage. Fluorescence microscopy and surface plasmon resonance measurements of self-assembled monolayers (SAMs) of red fluorescent proteins (TagRFP) showed that binding strength increased by 1 order of magnitude for each additional His6-tag on the TagRFP proteins. All TagRFP variants with His6-tags located on only one side of the barrel-shaped protein yielded a 1.5 times higher surface coverage compared to variants with His6-tags on opposite sides of the so-called β-barrel. Time-resolved fluorescence anisotropy measurements supported by polarized infrared spectroscopy verified that the orientation (and thus coverage and functionality) of proteins on surfaces can be controlled by strategic placement of a His6-tag on the protein. Molecular dynamics simulations show how the differently tagged proteins reside at the surface in “end-on” and “side-on” orientations with each His6-tag contributing to binding. Also, not every dihistidine subunit in a given His6-tag forms a full coordination bond with the Ni2+:NTA SAMs, which varied with the position of the His6-tag on the protein. At equal valency but different tag positions on the protein, differences in binding were caused by probing for Ni2+:NTA moieties and by additional electrostatic interactions between different fractions of the β-barrel structure and charged NTA moieties. Potential of mean force calculations indicate there is no specific single-protein interaction mode that provides a clear preferential surface orientation, suggesting that the experimentally measured preference for the end-on orientation is a supra-protein, not a single-protein, effect. PMID:28850777

Viscosity of particle laden films

NASA Astrophysics Data System (ADS)

Timounay, Yousra; Rouyer, Florence

2017-06-01

We perform retraction experiments on soap films where large particles bridge the two interfaces. Local velocities are measured by PIV during the unstationnary regime. The velocity variation in time and space can be described by a continuous fluid model from which effective viscosity (shear and dilatational) of particulate films is measured. The 2D effective viscosity of particulate films η2D increases with particle surface fraction ϕ: at low ϕ, it tends to the interfacial dilatational viscosity of the liquid/air interfaces and it diverges at the critical particle surface fraction ϕc ≃ 0.84. Experimental data agree with classical viscosity laws of hard spheres suspensions adapted to the 2D geometry, assuming viscous dissipation resulting from the squeeze of the liquid/air interfaces between the particles. Finally, we show that the observed viscous dissipation in particulate films has to be considered to describe the edge velocity during a retraction experiment at large particle coverage.

Confronting the surface temperature cold bias in AGCMs over the Tibetan Plateau and improving climate simulations

NASA Astrophysics Data System (ADS)

Wu, G. X.; Liu, Y.; Bao, Q.; Chen, X.; Li, J.

2017-12-01

One of the mid-term progresses of the NSFC- Key Research Program "Land-air Coupling over the Tibetan Plateau and Its Climate Impact " is presented. The elevated heating in summer and cooling in winter of the Tibetan Plateau significantly regulate the seasonal change of the atmospheric circulation and exert remarkable impacts on world climate. Recent studies have demonstrated that the majority of the Phase-5 Coupled Model Inter-comparison Project (CMIP5) models underestimate annual and seasonal mean surface air temperatures (Ta) over the Tibetan Plateau (TP). In addition, more than half of the models underestimate annual and seasonal mean surface temperatures (Ts) over the TP. These cold biases are larger over the western TP. By decomposing the Ts bias using the surface energy budget equation, it was demonstrated that this TP's cold bias can be attributed to various factors, in which the stronger bias in surface albedo (a-) and the weaker bias in clear-sky downward Longwave radiation (DLR) play the most significant roles. Since a- and DLR are respectively affected by snow coverage fraction at the ground surface and water vapor content in the atmosphere, these results then imply that the cold bias over the TP is caused by too large snow coverage fraction and too less water vapor content over the TP in the models. The FAMIL AGCM model developed at LASG also suffers from the similar cold bias over the TP. By introducing the 3D- Radiative Transfer Parameterization Over Mountains/Snow (Liou, 2013) into the model, the total solar radiation reaching the ground surface is increased during the daytime, resulting in more snowmelt and less snow coverage. Accordingly, surface albedo is decreased on the sunny side of the mountains, and the surface cold bias over mountain areas is decreased. It is shown that the improvement is sensitive to the model resolution: increased the horizontal resolution of Community Land Model version 4.0 (CLM 4.0) from nearly 200km (1.9o×2.5o) to about 25km (0.23o×0.31o) can significantly improve the parameterization effect and accuracy, with more notably improvement appearing in Spring. It is demonstrated that, by stimulating a Rossby wave and strengthen the precipitation in subtropical frontal zone of East Asia, the decrement of clod bias over the TP can greatly improve the climate simulations of the model.

Investigation of the falling water flow with evaporation for the passive containment cooling system and its scaling-down criteria

NASA Astrophysics Data System (ADS)

Li, Cheng; Li, Junming; Li, Le

2018-02-01

Falling water evaporation cooling could efficiently suppress the containment operation pressure during the nuclear accident, by continually removing the core decay heat to the atmospheric environment. In order to identify the process of large-scale falling water evaporation cooling, the water flow characteristics of falling film, film rupture and falling rivulet were deduced, on the basis of previous correlation studies. The influences of the contact angle, water temperature and water flow rates on water converge along the flow direction were then numerically obtained and results were compared with the data for AP1000 and CAP1400 nuclear power plants. By comparisons, it is concluded that the water coverage fraction of falling water could be enhanced by either reducing the surface contact angle or increasing the water temperature. The falling water flow with evaporation for AP1000 containment was then calculated and the feature of its water coverage fraction was analyzed. Finally, based on the phenomena identification of falling water flow for AP1000 containment evaporation cooling, the scaling-down is performed and the dimensionless criteria were obtained.

Observation of hydration of single, modified carbon aerosols

NASA Technical Reports Server (NTRS)

Wyslouzil, B. E.; Carleton, K. L.; Sonnenfroh, D. M.; Rawlins, W. T.; Arnold, S.

1994-01-01

We have compared the hydration behavior of single carbon particles that have been treated by exposure to gaseous H2SO4 with that of untreated particles. Untreated carbon particles did not hydrate as the relative humidity varied from 0 to 80% at 23 C. In contrast, treated particles hydrated under subsaturation conditions; mass increases of up to 30% were observed. The mass increase is consistent with sulfuric acid equilibration with the ambient relative humidity in the presence of inert carbon. For the samples studied, the average amount of absorbed acid was 14% +/- 6% by weight, which corresponds to a surface coverage of approximately 0.1 monolayer. The mass fraction of surface-absorbed acid is comparable to the soluble mass fraction observed by Whitefield et al. (1993) in jet aircraft engine aerosols. Estimates indicate this mass fraction corresponds to 0.1% of the available SO2 exiting an aircraft engine ending up as H2SO4 on the carbon aerosol. If this heterogeneous process occurs early enough in the exhaust plume, it may compete with homogeneous nucleation as a mechanism for producing sulfuric acid rich aerosols.

The Area Coverage of Geophysical Fields as a Function of Sensor Field-of View

NASA Technical Reports Server (NTRS)

Key, Jeffrey R.

1994-01-01

In many remote sensing studies of geophysical fields such as clouds, land cover, or sea ice characteristics, the fractional area coverage of the field in an image is estimated as the proportion of pixels that have the characteristic of interest (i.e., are part of the field) as determined by some thresholding operation. The effect of sensor field-of-view on this estimate is examined by modeling the unknown distribution of subpixel area fraction with the beta distribution, whose two parameters depend upon the true fractional area coverage, the pixel size, and the spatial structure of the geophysical field. Since it is often not possible to relate digital number, reflectance, or temperature to subpixel area fraction, the statistical models described are used to determine the effect of pixel size and thresholding operations on the estimate of area fraction for hypothetical geophysical fields. Examples are given for simulated cumuliform clouds and linear openings in sea ice, whose spatial structures are described by an exponential autocovariance function. It is shown that the rate and direction of change in total area fraction with changing pixel size depends on the true area fraction, the spatial structure, and the thresholding operation used.

SERS-activating effect of chlorides on borate-stabilized silver nanoparticles: formation of new reduced adsorption sites and induced nanoparticle fusion.

PubMed

Sloufová, Ivana; Sisková, Karolína; Vlcková, Blanka; Stepánek, Josef

2008-04-28

Changes in morphology, surface reactivity and surface-enhancement of Raman scattering induced by modification of borate-stabilized Ag nanoparticles by adsorbed chlorides have been explored using TEM, EDX analysis and SERS spectra of probing adsorbate 2,2'-bipyridine (bpy) excited at 514.5 nm and evaluated by factor analysis. At fractional coverages of the parent Ag nanoparticles by adsorbed chlorides <0.6, the Ag colloid/Cl(-)/bpy systems were found to be constituted by fractal aggregates of Ag nanoparticles fairly uniform in size (10 +/- 2 nm) and SERS spectra of Ag(+)-bpy surface species were detected. The latter result was interpreted in terms of the presence of oxidized Ag(+) and/or Ag(n)(+) adsorption sites, which have been encountered also in systems with the chemically untreated Ag nanoparticles. At chloride coverages >0.6, a fusion of fractal aggregates into the compact aggregates of touching and/or interpenetrating Ag nanoparticles has been observed and found to be accompanied by the formation of another surface species, Ag-bpy, as well as by the increase of the overall SERS enhancement of bpy by factor of 40. The same Ag-bpy surface species has been detected under the strongly reducing conditions of reduction of silver nitrate by sodium borohydride in the presence of bpy. The formation of Ag-bpy is thus interpreted in terms of the stabilization of reduced Ag(0) adsorption sites by adsorbed bpy. The formation of reduced adsorption sites on Ag nanoparticle surfaces at chloride coverages >0.6 is discussed in terms of local changes in the work function of Ag. Finally, the SERS spectral detection of Ag-bpy species is proposed as a tool for probing the presence of reduced Ag(0) adsorption sites in systems with chemically modified Ag nanoparticles.

ELLIPSOMETRY OF ELECTROCHEMICAL SURFACE LAYERS

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

Muller, R.H.

1977-06-01

Ellipsometry is concerned with the analysis and interpretation of changes in the state of polarization caused by reflection. The technique has found increasing interest in recent years for the measurement of thin films because it is unusually sensitive, disturbs the object minimally and can be applied to surfaces contained in any optically transparent medium. Film thicknesses amenable to measurement range from fractional monoatomic coverage to microscopic thicknesses. The measurement of changes in the state of polarization of light due to reflection provides an unusually sensitive tool for observing surface layers in any optically transparent environment. A fast, self-compensating ellipsometer hasmore » been used to observe the electrochemical formation of reacted surface layers. The optical effect of mass-transport boundary layers and component imperfections have been taken into account in the interpretation of results.« less

Regional melt-pond fraction and albedo of thin Arctic first-year drift ice in late summer

NASA Astrophysics Data System (ADS)

Divine, D. V.; Granskog, M. A.; Hudson, S. R.; Pedersen, C. A.; Karlsen, T. I.; Divina, S. A.; Renner, A. H. H.; Gerland, S.

2015-02-01

The paper presents a case study of the regional (≈150 km) morphological and optical properties of a relatively thin, 70-90 cm modal thickness, first-year Arctic sea ice pack in an advanced stage of melt. The study combines in situ broadband albedo measurements representative of the four main surface types (bare ice, dark melt ponds, bright melt ponds and open water) and images acquired by a helicopter-borne camera system during ice-survey flights. The data were collected during the 8-day ICE12 drift experiment carried out by the Norwegian Polar Institute in the Arctic, north of Svalbard at 82.3° N, from 26 July to 3 August 2012. A set of > 10 000 classified images covering about 28 km2 revealed a homogeneous melt across the study area with melt-pond coverage of ≈ 0.29 and open-water fraction of ≈ 0.11. A decrease in pond fractions observed in the 30 km marginal ice zone (MIZ) occurred in parallel with an increase in open-water coverage. The moving block bootstrap technique applied to sequences of classified sea-ice images and albedo of the four surface types yielded a regional albedo estimate of 0.37 (0.35; 0.40) and regional sea-ice albedo of 0.44 (0.42; 0.46). Random sampling from the set of classified images allowed assessment of the aggregate scale of at least 0.7 km2 for the study area. For the current setup configuration it implies a minimum set of 300 images to process in order to gain adequate statistics on the state of the ice cover. Variance analysis also emphasized the importance of longer series of in situ albedo measurements conducted for each surface type when performing regional upscaling. The uncertainty in the mean estimates of surface type albedo from in situ measurements contributed up to 95% of the variance of the estimated regional albedo, with the remaining variance resulting from the spatial inhomogeneity of sea-ice cover.

Vegetation Coverage Mapping and Soil Effect Correction in Estimating Vegetation Water Content and Dry Biomass from Satellites

NASA Astrophysics Data System (ADS)

Huang, J.; Chen, D.

2005-12-01

Vegetation water content (VWC) attracts great research interests in hydrology research in recent years. As an important parameter describing the horizontal expansion of vegetation, vegetation coverage is essential to implement soil effect correction for partially vegetated fields to estimate VWC accurately. Ground measurements of corn and soybeans in SMEX02 resulted in an identical expolinear relationship between vegetation coverage and leaf area index (LAI), which is used for vegetation coverage mapping. Results illustrated two parts of LAI growth quantitatively: the horizontal expansion of leaf coverage and the vertical accumulation of leaf layers. It is believed that the former part contributes significantly to LAI growth at initial vegetation growth stage and the latter is more dominant after vegetation coverage reaches a certain level. The Normalized Difference Water Index (NDWI) using short-wave infrared bands is convinced for its late saturation at high LAI values, in contrast to the Normalized Difference Vegetation Index (NDVI). NDWI is then utilized to estimate LAI, via another expolinear relationship, which is evidenced having vegetation species independency in study of corn and soybeans in SMEX02 sites. It is believed that the surface reflectance measured at satellites spectral bands are the mixed results of signals reflected from vegetation and bare soil, especially at partially vegetated fields. A simple linear mixture model utilizing vegetation coverage information is proposed to correct soil effect in such cases. Surface reflectance fractions for -rpure- vegetation are derived from the model. Comparing with ground measurements, empirical models using soil effect corrected vegetation indices to estimate VWC and dry biomass (DB) are generated. The study enhanced the in-depth understanding of the mechanisms how vegetation growth takes effect on satellites spectral reflectance with and without soil effect, which are particularly useful for modeling in hydrology, agriculture, forestry and meteorology etc.

Sorption of Selected Volatile Organic Constituents of Jet Fuels and Solvents on Natural Sorbents from Gas and Solutions Phases

DTIC Science & Technology

1988-08-01

self-supporting films, and aqueous slurries. IR spectra were obtained for kaolinite and montmorillonite clays as well as for p-xylene adsorbed on...proportional to OC and Xs. They also reported that the sorption of chloroethanes on sand, montmorillonite , and kaolinite was too small (< 2 ng/g soil...Ca- montmorillonite and Ca-kaolin at fractional surface coverages of only 0.65 and 0.35, respectively. C values for their montmorillonite and kaolinite

Determining the Surface-to-Air Missile Requirement for Western and Southern Part of the Turkish Air Defense System

DTIC Science & Technology

2008-03-01

been shown to yield success in such applications as well. ( Daskin ,1995). LP optimization, matrix row reduction, a combination of both, or cutting...integer solution (Current, 2002). If the LP relaxation of the SCLP results in a fractional solution, Current, Daskin , and Schilling (2002) recommend...coverage for a given number of SAM sites. The model is formulated as an integer program, and the LINGO 10 software package is used to solve the model

Structural Study of GaAs(001):In 4×2 Surface

NASA Astrophysics Data System (ADS)

Lee, T.-L.; Zegenhagen, J.; Lyman, P. F.; Bedzyk, M. J.

1997-03-01

In a STM and LEED investigation (U. Resch-Esser et al., JVST B 13, 1672 (1995)), the indium-terminated GaAs(001) surface exhibited a (4×2) reconstruction. Based on this study, a dimer model, similar to that proposed by Biegelsen et al. (PRB 41, 5701(1990)) for the (4×2) clean surface, was proposed. However, the detailed local structure of the In ad-atoms was not resolvable from the STM image. In this work, we applied in situ x-ray standing wave (XSW) measurements to determine the surface structure of the GaAs(001) upon the adsorption of In at low coverages. The (4×2)/c(8×2) In-terminated GaAs(001) surface (Θ_In = 0.2 ML) was prepared by MBE. The (004) XSW measurement showed that the In ad-atoms were located 1.61 Åabove the (004) diffraction planes. At higher In coverages (up to 0.6 ML) the In (004) coherent fraction was small. This is consistent with the ladder-type pattern observed by STM at Θ_In > 0.5 ML, which indicated that there were two coexisting surface structures. For Θ_In = 0.2 ML, we found that our off-normal XSW measurements did not agree with the model proposed by Resch-Esser et al.. This work is sponsored by DOE-BES No. W-31-109-ENG-38 and by NSF No. DMR-9632472.

Critical motor number for fractional steps of cytoskeletal filaments in gliding assays.

PubMed

Li, Xin; Lipowsky, Reinhard; Kierfeld, Jan

2012-01-01

In gliding assays, filaments are pulled by molecular motors that are immobilized on a solid surface. By varying the motor density on the surface, one can control the number N of motors that pull simultaneously on a single filament. Here, such gliding assays are studied theoretically using brownian (or Langevin) dynamics simulations and taking the local force balance between motors and filaments as well as the force-dependent velocity of the motors into account. We focus on the filament stepping dynamics and investigate how single motor properties such as stalk elasticity and step size determine the presence or absence of fractional steps of the filaments. We show that each gliding assay can be characterized by a critical motor number, N(c). Because of thermal fluctuations, fractional filament steps are only detectable as long as N < N(c). The corresponding fractional filament step size is l/N where l is the step size of a single motor. We first apply our computational approach to microtubules pulled by kinesin-1 motors. For elastic motor stalks that behave as linear springs with a zero rest length, the critical motor number is found to be N(c) = 4, and the corresponding distributions of the filament step sizes are in good agreement with the available experimental data. In general, the critical motor number N(c) depends on the elastic stalk properties and is reduced to N(c) = 3 for linear springs with a nonzero rest length. Furthermore, N(c) is shown to depend quadratically on the motor step size l. Therefore, gliding assays consisting of actin filaments and myosin-V are predicted to exhibit fractional filament steps up to motor number N = 31. Finally, we show that fractional filament steps are also detectable for a fixed average motor number as determined by the surface density (or coverage) of the motors on the substrate surface.

New insights into modeling an organic mass fraction of sea spray aerosol

NASA Astrophysics Data System (ADS)

Meskhidze, N.; Gantt, B.

2010-12-01

As the study of climate change progresses, a need to separate the effects of natural and anthropogenic processes becomes essential in order to correctly forecast the future climate. Due to their massive source regions underlying an atmosphere with low aerosol concentration, marine aerosols derived from sea spray and ocean emitted biogenic volatile organic compounds (BVOCs) are extremely important for the Earth’s radiative budget, regional air quality and biogeochemical cycling of elements. Measurements of freshly-emitted sea spray have revealed that bubble bursting processes, largely responsible for the production of sea salt aerosol, also control sea-to-air transfer of marine organic matter. It has been established that the organic mass fraction of sea spray can be a function of sea-water composition (e.g., concentrations of Chlorophyll-a, [Chl-a], dissolved organic carbon, [DOC], particulate organic carbon, [POC], types of organic carbon, and the amount of surfactants). Current paramaterizations of marine primary organic aerosol emissions use remotely sensed [Chl-a] data as a proxy for oceanic biological activity. However, it has also been shown that the path length, size, and lifetime of bubbles in seawater as well as spatial coverage of seawater surface by streaks or slicks (visible film of a roughly 50 μm thick layer, highly enriched in organics) can have dramatic effect on organic mass fraction of sea spray (OCss). Dynamics of bubble entrainment and the level of microlayer enrichment by organics relative to the underlying bulk water can be controlled by surface wind speed. For bubble entrainment, high winds can increase rising bubble path length and therefore the amount of organics scavenged by the bubble. However, when the surface wind speeds exceed 8 m s-1 breaking of ocean waves can entirely destroy surface organic films and diminish the amount of organics leaving the sea. Despite the probable impact of wind speed, existing parameterizations do not consider the wind speed dependence of OCss. In this study we use remotely sensed data for ocean slick coverage and surface wind speed in conjunction with an upwind averaged concentrations of [Chl-a], [DOC] and [POC] to derive marine primary organic aerosol emission function. Derived empirical relationships between the aerosol and ocean/meteorological data are then compared to observed OCss at Mace Head and Point Reyes National Seashore. MATLAB curve fitting tool revealed that multi-variable regression analysis (with both wind speed and [Chl-a]) yields a significant improvement between model predicted and observed submicron fraction of OCss. The coefficient of determination increased from R2=0.1 for previous parameterizations to R2=0.6. Based on the results of this study we propose that in addition to sea-water composition, future parameterizations of marine primary organic aerosol emissions should include sea spray organic mass fraction dependence on surface wind speed.

Country-level predictors of vaccination coverage and inequalities in Gavi-supported countries.

PubMed

Arsenault, Catherine; Johri, Mira; Nandi, Arijit; Mendoza Rodríguez, José M; Hansen, Peter M; Harper, Sam

2017-04-25

Important inequalities in childhood vaccination coverage persist between countries and population groups. Understanding why some countries achieve higher and more equitable levels of coverage is crucial to redress these inequalities. In this study, we explored the country-level determinants of (1) coverage of the third dose of diphtheria-tetanus-pertussis- (DTP3) containing vaccine and (2) within-country inequalities in DTP3 coverage in 45 countries supported by Gavi, the Vaccine Alliance. We used data from the most recent Demographic and Health Surveys (DHS) conducted between 2005 and 2014. We measured national DTP3 coverage and the slope index of inequality in DTP3 coverage with respect to household wealth, maternal education, and multidimensional poverty. We collated data on country health systems, health financing, governance and geographic and sociocultural contexts from published sources. We used meta-regressions to assess the relationship between these country-level factors and variations in DTP3 coverage and inequalities. To validate our findings, we repeated these analyses for coverage with measles-containing vaccine (MCV). We found considerable heterogeneity in DTP3 coverage and in the magnitude of inequalities across countries. Results for MCV were consistent with those from DTP3. Political stability, gender equality and smaller land surface were important predictors of higher and more equitable levels of DTP3 coverage. Inequalities in DTP3 coverage were also lower in countries receiving more external resources for health, with lower rates of out-of-pocket spending and with higher national coverage. Greater government spending on heath and lower linguistic fractionalization were also consistent with better vaccination outcomes. Improving vaccination coverage and reducing inequalities requires that policies and programs address critical social determinants of health including geographic and social exclusion, gender inequality and the availability of financial protection for health. Further research should investigate the mechanisms contributing to these associations. Copyright © 2017 Elsevier Ltd. All rights reserved.

Multi-scale enhancement of climate prediction over land by increasing the model sensitivity to vegetation variability in EC-Earth

NASA Astrophysics Data System (ADS)

Alessandri, Andrea; Catalano, Franco; De Felice, Matteo; Van Den Hurk, Bart; Doblas Reyes, Francisco; Boussetta, Souhail; Balsamo, Gianpaolo; Miller, Paul

2016-04-01

The EC-Earth earth system model has been recently developed to include the dynamics of vegetation. In its original formulation, vegetation variability is simply operated by the Leaf Area Index (LAI), which affects climate basically by changing the vegetation physiological resistance to evapotranspiration. This coupling has been found to have only a weak effect on the surface climate modeled by EC-Earth. In reality, the effective sub-grid vegetation fractional coverage will vary seasonally and at interannual time-scales in response to leaf-canopy growth, phenology and senescence. Therefore it affects biophysical parameters such as the albedo, surface roughness and soil field capacity. To adequately represent this effect in EC-Earth, we included an exponential dependence of the vegetation cover on the LAI. By comparing two sets of simulations performed with and without the new variable fractional-coverage parameterization, spanning retrospective predictions at the decadal (5-years), seasonal and sub-seasonal time-scales, we show for the first time a significant multi-scale enhancement of vegetation impacts in climate simulation and prediction over land. Particularly large effects at multiple time scales are shown over boreal winter middle-to-high latitudes over Canada, West US, Eastern Europe, Russia and eastern Siberia due to the implemented time-varying shadowing effect by tree-vegetation on snow surfaces. Over Northern Hemisphere boreal forest regions the improved representation of vegetation cover tends to correct the winter warm biases, improves the climate change sensitivity, the decadal potential predictability as well as the skill of forecasts at seasonal and sub-seasonal time-scales. Significant improvements of the prediction of 2m temperature and rainfall are also shown over transitional land surface hot spots. Both the potential predictability at decadal time-scale and seasonal-forecasts skill are enhanced over Sahel, North American Great Plains, Nordeste Brazil and South East Asia, mainly related to improved performance in the surface evapotranspiration.

Multi-scale enhancement of climate prediction over land by increasing the model sensitivity to vegetation variability in EC-Earth

NASA Astrophysics Data System (ADS)

Alessandri, A.; Catalano, F.; De Felice, M.; van den Hurk, B.; Doblas-Reyes, F. J.; Boussetta, S.; Balsamo, G.; Miller, P. A.

2016-12-01

The European consortium earth system model (EC-Earth; http://www.ec-earth.org) has been recently developed to include the dynamics of vegetation. In its original formulation, vegetation variability is simply operated by the Leaf Area Index (LAI), which affects climate basically by changing the vegetation physiological resistance to evapotranspiration. This coupling has been found to have only a weak effect on the surface climate modeled by EC-Earth. In reality, the effective sub-grid vegetation fractional coverage will vary seasonally and at interannual time-scales in response to leaf-canopy growth, phenology and senescence. Therefore it affects biophysical parameters such as the albedo, surface roughness and soil field capacity. To adequately represent this effect in EC-Earth, we included an exponential dependence of the vegetation cover on the LAI. By comparing two sets of simulations performed with and without the new variable fractional-coverage parameterization, spanning from centennial (20th Century) simulations and retrospective predictions to the decadal (5-years), seasonal and weather time-scales, we show for the first time a significant multi-scale enhancement of vegetation impacts in climate simulation and prediction over land. Particularly large effects at multiple time scales are shown over boreal winter middle-to-high latitudes over Canada, West US, Eastern Europe, Russia and eastern Siberia due to the implemented time-varying shadowing effect by tree-vegetation on snow surfaces. Over Northern Hemisphere boreal forest regions the improved representation of vegetation cover tends to correct the winter warm biases, improves the climate change sensitivity, the decadal potential predictability as well as the skill of forecasts at seasonal and weather time-scales. Significant improvements of the prediction of 2m temperature and rainfall are also shown over transitional land surface hot spots. Both the potential predictability at decadal time-scale and seasonal-forecasts skill are enhanced over Sahel, North American Great Plains, Nordeste Brazil and South East Asia, mainly related to improved performance in the surface evapotranspiration.

Multi-scale enhancement of climate prediction over land by increasing the model sensitivity to vegetation variability in EC-Earth

NASA Astrophysics Data System (ADS)

Alessandri, Andrea; Catalano, Franco; De Felice, Matteo; Van Den Hurk, Bart; Doblas Reyes, Francisco; Boussetta, Souhail; Balsamo, Gianpaolo; Miller, Paul A.

2017-08-01

The EC-Earth earth system model has been recently developed to include the dynamics of vegetation. In its original formulation, vegetation variability is simply operated by the Leaf Area Index (LAI), which affects climate basically by changing the vegetation physiological resistance to evapotranspiration. This coupling has been found to have only a weak effect on the surface climate modeled by EC-Earth. In reality, the effective sub-grid vegetation fractional coverage will vary seasonally and at interannual time-scales in response to leaf-canopy growth, phenology and senescence. Therefore it affects biophysical parameters such as the albedo, surface roughness and soil field capacity. To adequately represent this effect in EC-Earth, we included an exponential dependence of the vegetation cover on the LAI. By comparing two sets of simulations performed with and without the new variable fractional-coverage parameterization, spanning from centennial (twentieth century) simulations and retrospective predictions to the decadal (5-years), seasonal and weather time-scales, we show for the first time a significant multi-scale enhancement of vegetation impacts in climate simulation and prediction over land. Particularly large effects at multiple time scales are shown over boreal winter middle-to-high latitudes over Canada, West US, Eastern Europe, Russia and eastern Siberia due to the implemented time-varying shadowing effect by tree-vegetation on snow surfaces. Over Northern Hemisphere boreal forest regions the improved representation of vegetation cover tends to correct the winter warm biases, improves the climate change sensitivity, the decadal potential predictability as well as the skill of forecasts at seasonal and weather time-scales. Significant improvements of the prediction of 2 m temperature and rainfall are also shown over transitional land surface hot spots. Both the potential predictability at decadal time-scale and seasonal-forecasts skill are enhanced over Sahel, North American Great Plains, Nordeste Brazil and South East Asia, mainly related to improved performance in the surface evapotranspiration.

Multi-scale enhancement of climate prediction over land by increasing the model sensitivity to vegetation variability in EC-Earth

NASA Astrophysics Data System (ADS)

Alessandri, Andrea; Catalano, Franco; De Felice, Matteo; Van Den Hurk, Bart; Doblas Reyes, Francisco; Boussetta, Souhail; Balsamo, Gianpaolo; Miller, Paul A.

2017-04-01

The EC-Earth earth system model has been recently developed to include the dynamics of vegetation. In its original formulation, vegetation variability is simply operated by the Leaf Area Index (LAI), which affects climate basically by changing the vegetation physiological resistance to evapotranspiration. This coupling has been found to have only a weak effect on the surface climate modeled by EC-Earth. In reality, the effective sub-grid vegetation fractional coverage will vary seasonally and at interannual time-scales in response to leaf-canopy growth, phenology and senescence. Therefore it affects biophysical parameters such as the albedo, surface roughness and soil field capacity. To adequately represent this effect in EC-Earth, we included an exponential dependence of the vegetation cover on the LAI. By comparing two sets of simulations performed with and without the new variable fractional-coverage parameterization, spanning from centennial (20th Century) simulations and retrospective predictions to the decadal (5-years), seasonal and weather time-scales, we show for the first time a significant multi-scale enhancement of vegetation impacts in climate simulation and prediction over land. Particularly large effects at multiple time scales are shown over boreal winter middle-to-high latitudes over Canada, West US, Eastern Europe, Russia and eastern Siberia due to the implemented time-varying shadowing effect by tree-vegetation on snow surfaces. Over Northern Hemisphere boreal forest regions the improved representation of vegetation cover tends to correct the winter warm biases, improves the climate change sensitivity, the decadal potential predictability as well as the skill of forecasts at seasonal and weather time-scales. Significant improvements of the prediction of 2m temperature and rainfall are also shown over transitional land surface hot spots. Both the potential predictability at decadal time-scale and seasonal-forecasts skill are enhanced over Sahel, North American Great Plains, Nordeste Brazil and South East Asia, mainly related to improved performance in the surface evapotranspiration.

Novel Methods for Optically Measuring Whitecaps Under Natural Wave Breaking Conditions in the Southern Ocean

NASA Astrophysics Data System (ADS)

Randolph, K. L.; Dierssen, H. M.; Cifuentes-Lorenzen, A.; Balch, W. M.; Monahan, E. C.; Zappa, C. J.; Drapeau, D.; Bowler, B.

2016-02-01

Breaking waves on the ocean surface mark areas of significant importance to air-sea flux estimates of gas, aerosols, and heat. Traditional methods of measuring whitecap coverage using digital photography can miss features that are small in size or do not show high enough contrast to the background. The geometry of the images collected captures the near surface, bright manifestations of the whitecap feature and miss a portion of the bubble plume that is responsible for the production of sea salt aerosols and the transfer of lower solubility gases. Here, a novel method for accurately measuring both the fractional coverage of whitecaps and the intensity and decay rate of whitecap events using above water radiometry is presented. The methodology was developed using data collected during the austral summer in the Atlantic sector of the Southern Ocean under a large range of wind (speeds of 1 to 15 m s-1) and wave (significant wave heights 2 to 8 m) conditions as part of the Southern Ocean Gas Exchange experiment. Whitecap metrics were retrieved by employing a magnitude threshold based on the interquartile range of the radiance or reflectance signal for a single channel (411 nm) after a baseline removal, determined using a moving minimum/maximum filter. Breaking intensity and decay rate metrics were produced from the integration of, and the exponential fit to, radiance or reflectance over the lifetime of the whitecap. When compared to fractional whitecap coverage measurements obtained from high resolution digital images, radiometric estimates were consistently higher because they capture more of the decaying bubble plume area that is difficult to detect with photography. Radiometrically-retrieved whitecap measurements are presented in the context of concurrently measured meteorological (e.g., wind speed) and oceanographic (e.g., wave) data. The optimal fit of the radiometrically estimated whitecap coverage to the instantaneous wind speed, determined using ordinary least squares, showed a cubic dependence. Increasing the magnitude threshold for whitecap detection from 2 to 3(IQR) produced a wind speed-whitecap relationship most comparable to previously published and widely accepted wind speed-whitecap parameterizations.

Fractional nonablative laser resurfacing: is there a skin tightening effect?

PubMed

Kauvar, Arielle N B

2014-12-01

Fractional photothermolysis, an approach to laser skin resurfacing that creates microscopic thermal wounds in skin separated by islands of spared tissue, was developed to overcome the high incidence of adverse events and prolonged healing times associated with full coverage ablative laser procedures. To examine whether fractional nonablative laser resurfacing induces skin tightening. A literature review was performed to evaluate the clinical and histologic effects of fractional nonablative laser resurfacing and full coverage ablative resurfacing procedures. Fractional nonablative lasers produce excellent outcomes with minimal risk and morbidity for a variety of clinical conditions, including photodamaged skin, atrophic scars, surgical and burn scars. Efforts to induce robust fibroplasia in histologic specimens and skin tightening in the clinical setting have yielded inconsistent results. A better understanding of the histology of fractional laser resurfacing will help to optimize clinical outcomes.

Fast and robust online adaptive planning in stereotactic MR-guided adaptive radiation therapy (SMART) for pancreatic cancer.

PubMed

Bohoudi, O; Bruynzeel, A M E; Senan, S; Cuijpers, J P; Slotman, B J; Lagerwaard, F J; Palacios, M A

2017-12-01

To implement a robust and fast stereotactic MR-guided adaptive radiation therapy (SMART) online strategy in locally advanced pancreatic cancer (LAPC). SMART strategy for plan adaptation was implemented with the MRIdian system (ViewRay Inc.). At each fraction, OAR (re-)contouring is done within a distance of 3cm from the PTV surface. Online plan re-optimization is based on robust prediction of OAR dose and optimization objectives, obtained by building an artificial neural network (ANN). Proposed limited re-contouring strategy for plan adaptation (SMART 3CM ) is evaluated by comparing 50 previously delivered fractions against a standard (re-)planning method using full-scale OAR (re-)contouring (FULLOAR). Plan quality was assessed using PTV coverage (V 95% , D mean , D 1cc ) and institutional OAR constraints (e.g. V 33Gy ). SMART 3CM required a significant lower number of optimizations than FULLOAR (4 vs 18 on average) to generate a plan meeting all objectives and institutional OAR constraints. PTV coverage with both strategies was identical (mean V 95% =89%). Adaptive plans with SMART 3CM exhibited significant lower intermediate and high doses to all OARs than FULLOAR, which also failed in 36% of the cases to adhere to the V 33Gy dose constraint. SMART 3CM approach for LAPC allows good OAR sparing and adequate target coverage while requiring only limited online (re-)contouring from clinicians. Copyright © 2017 Elsevier B.V. All rights reserved.

Defect reduction in Si-doped Al{sub 0.45}Ga{sub 0.55}N films by SiN{sub x} interlayer method

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

Li, Yang; Chen, Shengchang; Kong, Man

2014-01-28

The dislocation density in AlGaN epitaxial layers with Al content as high as 45% grown on sapphire substrates has been effectively reduced by introducing an in-situ deposited SiN{sub x} nanomask layer in this study. By closely monitoring the evolution of numerous material properties, such as surface morphology, dislocation density, photoluminescence, strain states, and electron mobility of the Si-Al{sub 0.45}Ga{sub 0.55}N layers as the functions of SiN{sub x} interlayer growth time, the surface coverage fraction of SiN{sub x} is found to be a crucial factor determining the strain states and dislocation density. The dependence of the strain states and the dislocationmore » density on the surface coverage fraction of SiN{sub x} nanomask supports the very different growth models of Al-rich AlGaN on SiN{sub x} interlayer due to the reduced nucleation selectivity compared with the GaN counterpart. Compared with GaN, which can only nucleate at open pores of SiN{sub x} nanomask, Al-rich AlGaN can simultaneously nucleate at both open pores and SiN{sub x} covered areas. Dislocations will annihilate at the openings due to the 3D growth initiated on the opening area, while 2D growth mode is preserved on SiN{sub x} and the threading dislocations are also preserved. During the following growth process, lateral overgrowth will proceed from the Al{sub 0.45}Ga{sub 0.55}N islands on the openings towards the regions covered by SiN{sub x}, relaxing the compressive strain and bending the dislocations at the same time.« less

Concentration transient analysis of antimony surface segregation during Si(100) molecular beam epitaxy

NASA Technical Reports Server (NTRS)

Markert, L. C.; Greene, J. E.; Ni, W.-X.; Hansson, G. V.; Sundgren, J.-E.

1991-01-01

Antimony surface segregation during Si(100) molecular beam epitaxy (MBE) was investigated at temperatures T(sub s) = 515 - 800 C using concentration transient analysis (CTA). The dopant surface coverage Theta, bulk fraction gamma, and incorporation probability sigma during MBE were determined from secondary-ion mass spectrometry depth profiles of modulation-doped films. Programmed T(sub s) changes during growth were used to trap the surface-segregated dopant overlayer, producing concentration spikes whose integrated area corresponds to Theta. Thermal antimony doping by coevaporation was found to result in segregation strongly dependent on T(sub s) with Theta(sub Sb) values up to 0.9 monolayers (ML): in films doped with Sb(+) ions accelerated by 100 V, Theta(sub Sb) was less than or equal to 4 x 10(exp -3) ML. Surface segregation of coevaporated antimony was kinematically limited for the film growth conditions in these experiments.

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

PubMed

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

2016-01-01

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

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

PubMed Central

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

2016-01-01

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

Regional and seasonal estimates of fractional storm coverage based on station precipitation observations

NASA Technical Reports Server (NTRS)

Gong, Gavin; Entekhabi, Dara; Salvucci, Guido D.

1994-01-01

Simulated climates using numerical atmospheric general circulation models (GCMs) have been shown to be highly sensitive to the fraction of GCM grid area assumed to be wetted during rain events. The model hydrologic cycle and land-surface water and energy balance are influenced by the parameter bar-kappa, which is the dimensionless fractional wetted area for GCM grids. Hourly precipitation records for over 1700 precipitation stations within the contiguous United States are used to obtain observation-based estimates of fractional wetting that exhibit regional and seasonal variations. The spatial parameter bar-kappa is estimated from the temporal raingauge data using conditional probability relations. Monthly bar-kappa values are estimated for rectangular grid areas over the contiguous United States as defined by the Goddard Institute for Space Studies 4 deg x 5 deg GCM. A bias in the estimates is evident due to the unavoidably sparse raingauge network density, which causes some storms to go undetected by the network. This bias is corrected by deriving the probability of a storm escaping detection by the network. A Monte Carlo simulation study is also conducted that consists of synthetically generated storm arrivals over an artificial grid area. It is used to confirm the bar-kappa estimation procedure and to test the nature of the bias and its correction. These monthly fractional wetting estimates, based on the analysis of station precipitation data, provide an observational basis for assigning the influential parameter bar-kappa in GCM land-surface hydrology parameterizations.

The adsorption and reactions of the amino acid proline on rutile TiO 2(1 1 0) surfaces

NASA Astrophysics Data System (ADS)

Fleming, G. J.; Adib, K.; Rodriguez, J. A.; Barteau, M. A.; White, J. M.; Idriss, H.

2008-06-01

The reaction of the amino acid DL-proline is studied over stoichiometric and Ar-ions sputtered (reduced) TiO 2(1 1 0) single crystal surfaces by synchrotron High Resolution X-ray Photoelectron Spectroscopy (HRXPS). On the stoichiometric surface proline gives two different species at 300 K: dissociated and zwitterionic. Upon heating the zwitterionic structure is removed first from the surface followed by the dissociated form. The C1s signal for the COO function is found close to 288.5 eV for both forms while the N 1s for the dissociated form is found at 400.0 eV and that of the zwitterionic from close to 401.8 eV. From the attenuation of the Ti 2p signal the surface coverage was estimated less than ½ (about 0.35). This smaller coverage than dissociatively adsorbed carboxylic acids on this surface (usually close to ½), is attributed to lateral repulsion caused by the ring of adjacent proline molecules adsorbed on five-fold coordinated Ti cations along the [0 0 1] direction. On the reduced surface the amount of zwitterion structure is found two times higher than that on the stoichiometric surface, at 300 K, most likely due to the considerable decrease of the amount of surface oxygen available. The stability of the zwitterionic structure on this surface is however found similar to that found on the stoichiometric surface. In addition, evidence of oxidation of reduced Ti cations upon adsorption at 300 K is noticed and explained as breaking of the carbon-oxygen bond of a fraction of adsorbed proline. Variable temperature HRXPS has been collected and results indicated that proline is more stable on the reduced surface compared to the stoichiometric surface.

NIMBUS-5 sounder data processing system. Part 2: Results

NASA Technical Reports Server (NTRS)

Smith, W. L.; Woolf, H. M.; Hayden, C. M.; Shen, W. C.

1975-01-01

The Nimbus-5 spacecraft carries infrared and microwave radiometers for sensing the temperature distribution of the atmosphere. Methods developed for obtaining temperature profiles from the combined set of infrared and microwave radiation measurements are described. Algorithms used to determine (a) vertical temperature and water vapor profiles, (b) cloud height, fractional coverage, and liquid water content, (c) surface temperature, and (d) total outgoing longwave radiation flux are described. Various meteorological results obtained from the application of the Nimbus-5 sounding data processing system during 1973 and 1974 are presented.

Dynamics of Phenanthrenequinone on Carbon Nano-Onion Surfaces Probed by Quasielastic Neutron Scattering

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

Anjos, Daniela M; Mamontov, Eugene; Brown, Gilbert M

We used quasielastic neutron scattering (QENS) to study the dynamics of phenanthrenequinone (PQ) on the surface of onion-like carbon (OLC), or so called carbon onions, as a function of surface coverage and temperature. For both the high- and low-coverage samples, we observed two diffusion processes; a faster process and nearly an order of magnitude slower process. On the high-coverage surface, the slow diffusion process is of long-range translational character, whereas the fast diffusion process is spatially localized on the length scale of ~ 4.7 . On the low-coverage surface, both diffusion processes are spatially localized; on the same length scalemore » of ~ 4.7 for the fast diffusion and a somewhat larger length scale for the slow diffusion. Arrhenius temperature dependence is observed except for the long-range diffusion on the high-coverage surface. We attribute the fast diffusion process to the generic localized in-cage dynamics of PQ molecules, and the slow diffusion process to the long-range translational dynamics of PQ molecules, which, depending on the coverage, may be either spatially restricted, or long-range. On the low-coverage surface, uniform surface coverage is not attained, and the PQ molecules experience the effect of spatial constraints on their long-range translational dynamics. Unexpectedly, the dynamics of PQ molecules on OLC as a function of temperature and surface coverage bears qualitative resemblance to the dynamics of water molecules on oxide surfaces, including practically temperature-independent residence times for the low-coverage surface. The dynamics features that we observed may be universal across different classes of surface adsorbates.« less

Flow-induced detachment of red blood cells adhering to surfaces by specific antigen-antibody bonds.

PubMed

Xia, Z; Goldsmith, H L; van de Ven, T G

1994-04-01

Fixed spherical swollen human red blood cells of blood type B adhering on a glass surface through antigen-antibody bonds to monoclonal mouse antihuman IgM, adsorbed or covalently linked on the surface, were detached by known hydrodynamic forces created in an impinging jet. The dynamic process of detachment of the specifically bound cells was recorded and analyzed. The fraction of adherent cells remaining on the surface decreased with increasing hydrodynamic force. For an IgM coverage of 0.26%, a tangential force on the order of 100 pN was able to detach almost all of the cells from the surface within 20 min. After a given time of exposure to hydrodynamic force, the fraction of adherent cells remaining increased with time, reflecting an increase in adhesion strength. The characteristic time for effective aging was approximately 4 h. Results from experiments in which the adsorbed antibody molecules were immobilized through covalent coupling and from evanescent wave light scattering of adherent cells, imply that deformation of red cells at the contact area was the principal cause for aging, rather than local clustering of the antibody through surface diffusion. Experiments with latex beads specifically bound to red blood cells suggest that, instead of breaking the antigen-antibody bonds, antigen molecules were extracted from the cell membrane during detachment.

RIP-ET: A riparian evapotranspiration package for MODFLOW-2005

USGS Publications Warehouse

Maddock, Thomas; Baird, Kathryn J.; Hanson, R.T.; Schmid, Wolfgang; Ajami, Hoori

2012-01-01

A new evapotranspiration package for the U.S. Geological Survey's groundwater-flow model, MODFLOW, is documented. The Riparian Evapotranspiration Package (RIP-ET) provides flexibility in simulating riparian and wetland transpiration not provided by the Evapotranspiration (EVT) or Segmented Function Evapotranspiration (ETS1) Packages for MODFLOW 2005. This report describes how the RIP-ET package was conceptualized and provides input instructions, listings and explanations of the source code, and an example. Traditional approaches to modeling evapotranspiration (ET) processes assume a piecewise linear relationship between ET flux and hydraulic head. The RIP-ET replaces this traditional relationship with a segmented, nonlinear dimensionless curve that reflects the eco-physiology of riparian and wetland ecosystems. Evapotranspiration losses from these ecosystems are dependent not only on hydraulic head, but on the plant types present. User-defined plant functional groups (PFGs) are used to elucidate the interaction between plant transpiration and groundwater conditions. Five generalized plant functional groups based on transpiration rates, plant rooting depth, and water tolerance ranges are presented: obligate wetland, shallow-rooted riparian, deep-rooted riparian, transitional riparian and bare ground/open water. Plant functional groups can be further divided into subgroups (PFSGs) based on plant size, density or other characteristics. The RIP-ET allows for partial habitat coverage and mixtures of plant functional subgroups to be present in a single model cell. RIP-ET also distinguishes between plant transpiration and bare-ground evaporation. Habitat areas are designated by polygons; each polygon can contain a mixture of PFSGs and bare ground, and is assigned a surface elevation. This process requires a determination of fractional coverage for each of the plant functional subgroups present in a polygon to account for the mixture of coverage types and resulting transpiration. The fractional cover within a cell has two components: (1) the polygonal fraction of active habitat (excluding area of bare ground, dead trees, or brush) in a cell, and (2) fraction of plant type area or bare ground area in a polygon. RIP-ET determines the transpiration rate for each plant functional group and evaporation from bare ground/open water in a cell, the total ET in the cell, and the total ET rate over the region of simulation.

Multi-scale enhancement of climate prediction over land by improving the model sensitivity to vegetation variability

NASA Astrophysics Data System (ADS)

Alessandri, A.; Catalano, F.; De Felice, M.; Hurk, B. V. D.; Doblas-Reyes, F. J.; Boussetta, S.; Balsamo, G.; Miller, P. A.

2017-12-01

Here we demonstrate, for the first time, that the implementation of a realistic representation of vegetation in Earth System Models (ESMs) can significantly improve climate simulation and prediction across multiple time-scales. The effective sub-grid vegetation fractional coverage vary seasonally and at interannual time-scales in response to leaf-canopy growth, phenology and senescence. Therefore it affects biophysical parameters such as the surface resistance to evapotranspiration, albedo, roughness lenght, and soil field capacity. To adequately represent this effect in the EC-Earth ESM, we included an exponential dependence of the vegetation cover on the Leaf Area Index.By comparing two sets of simulations performed with and without the new variable fractional-coverage parameterization, spanning from centennial (20th Century) simulations and retrospective predictions to the decadal (5-years), seasonal (2-4 months) and weather (4 days) time-scales, we show for the first time a significant multi-scale enhancement of vegetation impacts in climate simulation and prediction over land. Particularly large effects at multiple time scales are shown over boreal winter middle-to-high latitudes over Canada, West US, Eastern Europe, Russia and eastern Siberia due to the implemented time-varying shadowing effect by tree-vegetation on snow surfaces. Over Northern Hemisphere boreal forest regions the improved representation of vegetation-cover consistently correct the winter warm biases, improves the climate change sensitivity, the decadal potential predictability as well as the skill of forecasts at seasonal and weather time-scales. Significant improvements of the prediction of 2m temperature and rainfall are also shown over transitional land surface hot spots. Both the potential predictability at decadal time-scale and seasonal-forecasts skill are enhanced over Sahel, North American Great Plains, Nordeste Brazil and South East Asia, mainly related to improved performance in the surface evapotranspiration.Above results are discussed in a peer-review paper just being accepted for publication on Climate Dynamics (Alessandri et al., 2017; doi:10.1007/s00382-017-3766-y).

Regional distribution patterns of chemical parameters in surface sediments of the south-western Baltic Sea and their possible causes

NASA Astrophysics Data System (ADS)

Leipe, T.; Naumann, M.; Tauber, F.; Radtke, H.; Friedland, R.; Hiller, A.; Arz, H. W.

2017-12-01

This study presents selected results of a sediment geochemical mapping program of German territorial waters in the south-western Baltic Sea. The field work was conducted mainly during the early 2000s. Due to the strong variability of sediment types in the study area, it was decided to separate and analyse the fine fraction (<63 μm, mud) from more than 600 surficial samples, combined with recalculations for the bulk sediment. For the contents of total organic carbon (TOC) and selected elements (P, Hg), the regional distribution maps show strong differences between the analysed fine fraction and the recalculated total sediment. Seeing that mud contents vary strongly between 0 and 100%, this can be explained by the well-known grain-size effect. To avoid (or at least minimise) this effect, further interpretations were based on the data for the fine fraction alone. Lateral transport from the large Oder River estuary combined with high abundances and activities of benthic fauna on the shallow-water Oder Bank (well sorted fine sand) could be some main causes for hotspots identified in the fine-fraction element distribution. The regional pattern of primary production as the main driver of nutrient element fixation (C, N, P, Si) was found to be only weakly correlated with, for example, the TOC distribution in the fine fraction. This implies that, besides surface sediment dynamics, local conditions (e.g. benthic secondary production) also have strong impacts. To the best of the authors' knowledge, there is no comparable study with geochemical analyses of the fine fraction of marine sediments to this extent (13,600 km2) and coverage (between 600 and 800 data points) in the Baltic Sea. This aspect proved pivotal in confidently pinpointing geochemical "anomalies" in surface sediments of the south-western Baltic Sea.

TU-AB-BRB-01: Coverage Evaluation and Probabilistic Treatment Planning as a Margin Alternative

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

Siebers, J.

The accepted clinical method to accommodate targeting uncertainties inherent in fractionated external beam radiation therapy is to utilize GTV-to-CTV and CTV-to-PTV margins during the planning process to design a PTV-conformal static dose distribution on the planning image set. Ideally, margins are selected to ensure a high (e.g. >95%) target coverage probability (CP) in spite of inherent inter- and intra-fractional positional variations, tissue motions, and initial contouring uncertainties. Robust optimization techniques, also known as probabilistic treatment planning techniques, explicitly incorporate the dosimetric consequences of targeting uncertainties by including CP evaluation into the planning optimization process along with coverage-based planning objectives. Themore » treatment planner no longer needs to use PTV and/or PRV margins; instead robust optimization utilizes probability distributions of the underlying uncertainties in conjunction with CP-evaluation for the underlying CTVs and OARs to design an optimal treated volume. This symposium will describe CP-evaluation methods as well as various robust planning techniques including use of probability-weighted dose distributions, probability-weighted objective functions, and coverage optimized planning. Methods to compute and display the effect of uncertainties on dose distributions will be presented. The use of robust planning to accommodate inter-fractional setup uncertainties, organ deformation, and contouring uncertainties will be examined as will its use to accommodate intra-fractional organ motion. Clinical examples will be used to inter-compare robust and margin-based planning, highlighting advantages of robust-plans in terms of target and normal tissue coverage. Robust-planning limitations as uncertainties approach zero and as the number of treatment fractions becomes small will be presented, as well as the factors limiting clinical implementation of robust planning. Learning Objectives: To understand robust-planning as a clinical alternative to using margin-based planning. To understand conceptual differences between uncertainty and predictable motion. To understand fundamental limitations of the PTV concept that probabilistic planning can overcome. To understand the major contributing factors to target and normal tissue coverage probability. To understand the similarities and differences of various robust planning techniques To understand the benefits and limitations of robust planning techniques.« less

TU-AB-BRB-03: Coverage-Based Treatment Planning to Accommodate Organ Deformable Motions and Contouring Uncertainties for Prostate Treatment

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

Xu, H.

The accepted clinical method to accommodate targeting uncertainties inherent in fractionated external beam radiation therapy is to utilize GTV-to-CTV and CTV-to-PTV margins during the planning process to design a PTV-conformal static dose distribution on the planning image set. Ideally, margins are selected to ensure a high (e.g. >95%) target coverage probability (CP) in spite of inherent inter- and intra-fractional positional variations, tissue motions, and initial contouring uncertainties. Robust optimization techniques, also known as probabilistic treatment planning techniques, explicitly incorporate the dosimetric consequences of targeting uncertainties by including CP evaluation into the planning optimization process along with coverage-based planning objectives. Themore » treatment planner no longer needs to use PTV and/or PRV margins; instead robust optimization utilizes probability distributions of the underlying uncertainties in conjunction with CP-evaluation for the underlying CTVs and OARs to design an optimal treated volume. This symposium will describe CP-evaluation methods as well as various robust planning techniques including use of probability-weighted dose distributions, probability-weighted objective functions, and coverage optimized planning. Methods to compute and display the effect of uncertainties on dose distributions will be presented. The use of robust planning to accommodate inter-fractional setup uncertainties, organ deformation, and contouring uncertainties will be examined as will its use to accommodate intra-fractional organ motion. Clinical examples will be used to inter-compare robust and margin-based planning, highlighting advantages of robust-plans in terms of target and normal tissue coverage. Robust-planning limitations as uncertainties approach zero and as the number of treatment fractions becomes small will be presented, as well as the factors limiting clinical implementation of robust planning. Learning Objectives: To understand robust-planning as a clinical alternative to using margin-based planning. To understand conceptual differences between uncertainty and predictable motion. To understand fundamental limitations of the PTV concept that probabilistic planning can overcome. To understand the major contributing factors to target and normal tissue coverage probability. To understand the similarities and differences of various robust planning techniques To understand the benefits and limitations of robust planning techniques.« less

TU-AB-BRB-00: New Methods to Ensure Target Coverage

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

NONE

2015-06-15

The accepted clinical method to accommodate targeting uncertainties inherent in fractionated external beam radiation therapy is to utilize GTV-to-CTV and CTV-to-PTV margins during the planning process to design a PTV-conformal static dose distribution on the planning image set. Ideally, margins are selected to ensure a high (e.g. >95%) target coverage probability (CP) in spite of inherent inter- and intra-fractional positional variations, tissue motions, and initial contouring uncertainties. Robust optimization techniques, also known as probabilistic treatment planning techniques, explicitly incorporate the dosimetric consequences of targeting uncertainties by including CP evaluation into the planning optimization process along with coverage-based planning objectives. Themore » treatment planner no longer needs to use PTV and/or PRV margins; instead robust optimization utilizes probability distributions of the underlying uncertainties in conjunction with CP-evaluation for the underlying CTVs and OARs to design an optimal treated volume. This symposium will describe CP-evaluation methods as well as various robust planning techniques including use of probability-weighted dose distributions, probability-weighted objective functions, and coverage optimized planning. Methods to compute and display the effect of uncertainties on dose distributions will be presented. The use of robust planning to accommodate inter-fractional setup uncertainties, organ deformation, and contouring uncertainties will be examined as will its use to accommodate intra-fractional organ motion. Clinical examples will be used to inter-compare robust and margin-based planning, highlighting advantages of robust-plans in terms of target and normal tissue coverage. Robust-planning limitations as uncertainties approach zero and as the number of treatment fractions becomes small will be presented, as well as the factors limiting clinical implementation of robust planning. Learning Objectives: To understand robust-planning as a clinical alternative to using margin-based planning. To understand conceptual differences between uncertainty and predictable motion. To understand fundamental limitations of the PTV concept that probabilistic planning can overcome. To understand the major contributing factors to target and normal tissue coverage probability. To understand the similarities and differences of various robust planning techniques To understand the benefits and limitations of robust planning techniques.« less

Contribution of ICP-IDMS to the certification of antimony implanted in a silicon wafer--comparison with RBS and INAA results.

PubMed

Pritzkow, W; Vogl, J; Berger, A; Ecker, K; Grötzschel, R; Klingbeil, P; Persson, L; Riebe, G; Wätjen, U

2001-11-01

A thin-layer reference material for surface and near-surface analytical methods was produced and certified. The surface density of the implanted Sb layer was determined by Rutherford backscattering spectrometry (RBS), instrumental neutron activation analysis (INAA), and inductively coupled plasma isotope dilution mass spectrometry (ICP-IDMS) equipped with a multi-collector. The isotopic abundances of Sb (121Sb and 123Sb) were determined by multi-collector ICP-MS and INAA. ICP-IDMS measurements are discussed in detail in this paper. All methods produced values traceable to the SI and are accompanied by a complete uncertainty budget. The homogeneity of the material was measured with RBS. From these measurements the standard uncertainty due to possible inhomogeneities was estimated to be less than 0.78% for fractions of the area increments down to 0.75 mm2 in size. Excellent agreement between the results of the three different methods was found. For the surface density of implanted Sb atoms the unweighted mean value of the means of four data sets is 4.81 x 10(16) cm(-2) with an expanded uncertainty (coverage factor k = 2) of 0.09 x 10(16) cm(-2). For the isotope amount ratio R (121Sb/123Sb) the unweighted mean value of the means of two data sets is 1.435 with an expanded uncertainty (coverage factor k = 2) of 0.006.

Kinetics of particle deposition at heterogeneous surfaces

NASA Astrophysics Data System (ADS)

Stojiljković, D. Lj.; Vrhovac, S. B.

2017-12-01

The random sequential adsorption (RSA) approach is used to analyze adsorption of spherical particles of fixed diameter d0 on nonuniform surfaces covered by square cells arranged in a square lattice pattern. To characterize such pattern two dimensionless parameters are used: the cell size α and the cell-cell separation β, measured in terms of the particle diameter d0. Adsorption is assumed to occur if the particle (projected) center lies within a cell area. We focus on the kinetics of deposition process in the case when no more than a single disk can be placed onto any square cell (α < 1 /√{ 2 } ≈ 0 . 707). We find that the asymptotic approach of the coverage fraction θ(t) to the jamming limit θJ is algebraic if the parameters α and β satisfy the simple condition, β + α / 2 < 1. If this condition is not satisfied, the late time kinetics of deposition process is not consistent with the power law behavior. However, if the geometry of the pattern approaches towards ;noninteracting conditions; (β > 1), when adsorption on each cell can be decoupled, approach of the coverage fraction θ(t) to θJ becomes closer to the exponential law. Consequently, changing the pattern parameters in the present model allows to interpolate the deposition kinetics between the continuum limit and the lattice-like behavior. Structural properties of the jammed-state coverings are studied in terms of the radial distribution function g(r) and spatial distribution of particles inside the cell. Various, non-trivial spatial distributions are observed depending on the geometry of the pattern.

Fluorine atom abstraction by Si(100). I. Experimental

NASA Astrophysics Data System (ADS)

Tate, M. R.; Gosalvez-Blanco, D.; Pullman, D. P.; Tsekouras, A. A.; Li, Y. L.; Yang, J. J.; Laughlin, K. B.; Eckman, S. C.; Bertino, M. F.; Ceyer, S. T.

1999-08-01

In the interaction of low energy F2 with Si(100) at 250 K, a dissociative chemisorption mechanism called atom abstraction is identified in which only one of the F atoms is adsorbed while the other F atom is scattered into the gas phase. The dynamics of atom abstraction are characterized via time-of-flight measurements of the scattered F atoms. The F atoms are translationally hyperthermal but only carry a small fraction (˜3%) of the tremendous exothermicity of the reaction. The angular distribution of F atoms is unusually broad for the product of an exothermic reaction. These results suggest an "attractive" interaction potential between F2 and the Si dangling bond with a transition state that is not constrained geometrically. These results are in disagreement with the results of theoretical investigations implying that the available potential energy surfaces are inadequate to describe the dynamics of this gas-surface interaction. In addition to single atom abstraction, two atom adsorption, a mechanism analogous to classic dissociative chemisorption in which both F atoms are adsorbed onto the surface, is also observed. The absolute probability of the three scattering channels (single atom abstraction, two atom adsorption, and unreactive scattering) for an incident F2 are determined as a function of F2 exposure. The fluorine coverage is determined by integrating the reaction probabilities over F2 exposure, and the reaction probabilities are recast as a function of fluorine coverage. Two atom adsorption is the dominant channel [P2=0.83±0.03(95%, N=9)] in the limit of zero coverage and decays monotonically to zero. Single atom abstraction is the minor channel (P1=0.13±0.03) at low coverage but increases to a maximum (P1=0.35±0.08) at about 0.5 monolayer (ML) coverage before decaying to zero. The reaction ceases at 0.94±0.11(95%, N=9) ML. Thermal desorption and helium diffraction confirm that the dangling bonds are the abstraction and adsorption sites. No Si lattice bonds are broken, in contrast to speculation by other investigators that the reaction exothermicity causes lattice disorder.

How Much Surface Coating of Hydrophobic Azithromycin Is Sufficient to Prevent Moisture-Induced Decrease in Aerosolisation of Hygroscopic Amorphous Colistin Powder?

PubMed

Zhou, Qi Tony; Loh, Zhi Hui; Yu, Jiaqi; Sun, Si-Ping; Gengenbach, Thomas; Denman, John A; Li, Jian; Chan, Hak-Kim

2016-09-01

Aerosolisation performance of hygroscopic particles of colistin could be compromised at elevated humidity due to increased capillary forces. Co-spray drying colistin with a hydrophobic drug is known to provide a protective coating on the composite particle surfaces against moisture-induced reduction in aerosolisation performance; however, the effects of component ratio on surface coating quality and powder aerosolisation at elevated relative humidities are unknown. In this study, we have systematically examined the effects of mass ratio of hydrophobic azithromycin on surface coating quality and aerosolisation performance of the co-spray dried composite particles. Four combination formulations with varying drug ratios were prepared by co-spray drying drug solutions. Both of the drugs in each combination formulation had similar in vitro deposition profiles, suggesting that each composite particle comprises two drugs in the designed mass ratio, which is supported by X-ray photoelectron spectroscopy (XPS) and time-of-flight secondary ion mass spectrometry (ToF-SIMS) data. XPS and ToF-SIMS measurements also revealed that 50% by weight (or 35% by molecular fraction) of azithromycin in the formulation provided a near complete coating of 96.5% (molar fraction) on the composite particle surface, which is sufficient to prevent moisture-induced reduction in fine particle fraction (FPF)recovered and FPFemitted. Higher azithromycin content did not increase coating coverage, while contents of azithromycin lower than 20% w/w did not totally prevent the negative effects of humidity on aerosolisation performance. This study has highlighted that a critical amount of azithromycin is required to sufficiently coat the colistin particles for short-term protection against moisture.

Climatology of cloud (radiative) parameters at two stations in Switzerland using hemispherical sky-cameras

NASA Astrophysics Data System (ADS)

Aebi, Christine; Gröbner, Julian; Kämpfer, Niklaus; Vuilleumier, Laurent

2017-04-01

Our study analyses climatologies of cloud fraction, cloud type and cloud radiative effect depending on different parameters at two stations in Switzerland. The calculations have been performed for shortwave (0.3 - 3 μm) and longwave (3 - 100 μm) radiation separately. Information about fractional cloud coverage and cloud type is automatically retrieved from images taken by visible all-sky cameras at the two stations Payerne (490 m asl) and Davos (1594 m asl) using a cloud detection algorithm developed by PMOD/WRC (Wacker et al., 2015). Radiation data are retrieved from pyranometers and pyrgeometers, the cloud base height from a ceilometer and IWV data from GPS measurements. Interestingly, Davos and Payerne show different trends in terms of cloud coverage and cloud fraction regarding seasonal variations. The absolute longwave cloud radiative effect (LCE) for low-level clouds and a cloud coverage of 8 octas has a median value between 61 and 72 Wm-2. It is shown that the fractional cloud coverage, the cloud base height (CBH) and integrated water vapour (IWV) all have an influence on the magnitude of the LCE and will be illustrated with key examples. The relative values of the shortwave cloud radiative effect (SCE) for low-level clouds and a cloud coverage of 8 octas are between -88 to -62 %. The SCE is also influenced by the latter parameters, but also if the sun is covered or not by clouds. At both stations situations of shortwave radiation cloud enhancements have been observed and will be discussed. Wacker S., J. Gröbner, C. Zysset, L. Diener, P. Tzoumanikas, A. Kazantzidis, L. Vuilleumier, R. Stöckli, S. Nyeki, and N. Kämpfer (2015) Cloud observations in Switzerland using hemispherical sky cameras, J. Geophys. Res. Atmos, 120, 695-707.

Cloud radiative effect, cloud fraction and cloud type at two stations in Switzerland using hemispherical sky cameras

NASA Astrophysics Data System (ADS)

Aebi, Christine; Gröbner, Julian; Kämpfer, Niklaus; Vuilleumier, Laurent

2017-11-01

The current study analyses the cloud radiative effect during the daytime depending on cloud fraction and cloud type at two stations in Switzerland over a time period of 3 to 5 years. Information on fractional cloud coverage and cloud type is retrieved from images taken by visible all-sky cameras. Cloud-base height (CBH) data are retrieved from a ceilometer and integrated water vapour (IWV) data from GPS measurements. The longwave cloud radiative effect (LCE) for low-level clouds and a cloud coverage of 8 oktas has a median value between 59 and 72 Wm-2. For mid- and high-level clouds the LCE is significantly lower. It is shown that the fractional cloud coverage, the CBH and IWV all have an influence on the magnitude of the LCE. These observed dependences have also been modelled with the radiative transfer model MODTRAN5. The relative values of the shortwave cloud radiative effect (SCErel) for low-level clouds and a cloud coverage of 8 oktas are between -90 and -62 %. Also here the higher the cloud is, the less negative the SCErel values are. In cases in which the measured direct radiation value is below the threshold of 120 Wm-2 (occulted sun) the SCErel decreases substantially, while cases in which the measured direct radiation value is larger than 120 Wm-2 (visible sun) lead to a SCErel of around 0 %. In 14 and 10 % of the cases in Davos and Payerne respectively a cloud enhancement has been observed with a maximum in the cloud class cirrocumulus-altocumulus at both stations. The calculated median total cloud radiative effect (TCE) values are negative for almost all cloud classes and cloud coverages.

The efficacy in melasma treatment using a 1410 nm fractional photothermolysis laser.

PubMed

Wanitphakdeedecha, R; Keoprasom, N; Eimpunth, S; Manuskiatti, W

2014-03-01

Melasma treatment modalities including topical and procedural therapy have been employed with variable results and high recurrence rate. To quantitatively assess improvement in melasma and side effects after 1410 nm fractional photothermolysis laser treatments and to determine efficacy at 1-, 2- and 3-month follow-up after treatment. Thirty volunteers with melasma were treated with 1410 nm fractional photothermolysis for four passes on full face and additional four passes on melasma area. They were randomly treated on one side of their face with 20 mJ at 5% coverage and the other side of their face with 20 mJ at 20% coverage. All subjects were treated monthly for five times. Melanin index, Visual analogue scale and Melasma Area and Severity Index score were measured at baseline and 1-, 2- and 3-month follow-up after complete treatment protocol. There was statistically significant improvement of Melanin index at 2- and 3-month follow-up visits, but not at 1-month follow-up visit. Visual analogue scale and Melasma Area and Severity Index score improved significantly on both sides at 1-, 2- and 3-month follow-ups. The overall patients' satisfaction was significantly higher on the side treated with 20 mJ, 5% coverage. Adverse reactions included erythema, dryness and post-inflammatory hyperpigmentation on melasma area. Those side effects were significantly more intense on the side treated with 20 mJ, 20% coverage. 1410 nm fractional photothermolysis laser treatment is a safe and temporary effective procedure for melasma; however, long-term follow-up is still needed. Only 5% coverage should be used to minimize risks of adverse effects. © 2013 The Authors Journal of the European Academy of Dermatology and Venereology © 2013 European Academy of Dermatology and Venereology.

A diffuse radar scattering model from Martian surface rocks

NASA Technical Reports Server (NTRS)

Calvin, W. M.; Jakosky, B. M.; Christensen, P. R.

1987-01-01

Remote sensing of Mars has been done with a variety of instrumentation at various wavelengths. Many of these data sets can be reconciled with a surface model of bonded fines (or duricrust) which varies widely across the surface and a surface rock distribution which varies less so. A surface rock distribution map from -60 to +60 deg latitude has been generated by Christensen. Our objective is to model the diffuse component of radar reflection based on this surface distribution of rocks. The diffuse, rather than specular, scattering is modeled because the diffuse component arises due to scattering from rocks with sizes on the order of the wavelength of the radar beam. Scattering for radio waves of 12.5 cm is then indicative of the meter scale and smaller structure of the surface. The specular term is indicative of large scale surface undulations and should not be causally related to other surface physical properties. A simplified model of diffuse scattering is described along with two rock distribution models. The results of applying the models to a planet of uniform fractional rock coverage with values ranging from 5 to 20% are discussed.

Slowdown of surface diffusion during early stages of bacterial colonization

NASA Astrophysics Data System (ADS)

Vourc'h, T.; Peerhossaini, H.; Léopoldès, J.; Méjean, A.; Chauvat, F.; Cassier-Chauvat, C.

2018-03-01

We study the surface diffusion of the model cyanobacterium Synechocystis sp. PCC6803 during the incipient stages of cell contact with a glass surface in the dilute regime. We observe a twitching motility with alternating immobile tumble and mobile run periods, resulting in a normal diffusion described by a continuous-time random walk with a coefficient of diffusion D . Surprisingly, D is found to decrease with time down to a plateau. This is observed only when the cyanobacterial cells are able to produce released extracellular polysaccharides, as shown by a comparative study between the wild-type strain and various polysaccharides-depleted mutants. The analysis of the trajectories taken by the bacterial cells shows that the temporal characteristics of their intermittent motion depend on the instantaneous fraction of visited sites during diffusion. This describes quantitatively the time dependence of D , related to the progressive surface coverage by the polysaccharides. The observed slowdown of the surface diffusion may constitute a basic precursor mechanism for microcolony formation and provides clues for controlling biofilm formation.

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

Wang, Guiling; Yu, Miao; Pal, Jeremy

This paper presents a regional climate system model RCM-CLM-CN-DV and its validation over Tropical Africa. The model development involves the initial coupling between the ICTP regional climate model RegCM4.3.4 (RCM) and the Community Land Model version 4 (CLM4) including models of carbon-nitrogen dynamics (CN) and vegetation dynamics (DV), and further improvements of the models. Model improvements derive from the new parameterization from CLM4.5 that addresses the well documented overestimation of gross primary production (GPP), a refinement of stress deciduous phenology scheme in CN that addresses a spurious LAI fluctuation for drought-deciduous plants, and the incorporation of a survival rule intomore » the DV model to prevent tropical broadleaf evergreens trees from growing in areas with a prolonged drought season. The impact of the modifications on model results is documented based on numerical experiments using various subcomponents of the model. The performance of the coupled model is then validated against observational data based on three configurations with increasing capacity: RCM-CLM with prescribed leaf area index and fractional coverage of different plant functional types (PFTs); RCM-CLM-CN with prescribed PFTs coverage but prognostic plant phenology; RCM-CLM-CN-DV in which both the plant phenology and PFTs coverage are simulated by the model. Results from these three models are compared against the FLUXNET up-scaled GPP and ET data, LAI and PFT coverages from remote sensing data including MODIS and GIMMS, University of Delaware precipitation and temperature data, and surface radiation data from MVIRI and SRB. Our results indicate that the models perform well in reproducing the physical climate and surface radiative budgets in the domain of interest. However, PFTs coverage is significantly underestimated by the model over arid and semi-arid regions of Tropical Africa, caused by an underestimation of LAI in these regions by the CN model that gets exacerbated through vegetation dynamics in RCM-CLM-CN-DV.« less

Bone protein “extractomics”: comparing the efficiency of bone protein extractions of Gallus gallus in tandem mass spectrometry, with an eye towards paleoproteomics

PubMed Central

DeHart, Caroline J.; Schweitzer, Mary H.; Thomas, Paul M.; Kelleher, Neil L.

2016-01-01

Proteomic studies of bone require specialized extraction protocols to demineralize and solubilize proteins from within the bone matrix. Although various protocols exist for bone protein recovery, little is known about how discrete steps in each protocol affect the subset of the bone proteome recovered by mass spectrometry (MS) analyses. Characterizing these different “extractomes” will provide critical data for development of novel and more efficient protein extraction methodologies for fossils. Here, we analyze 22 unique sub-extractions of chicken bone and directly compare individual extraction components for their total protein yield and diversity and coverage of bone proteins identified by MS. We extracted proteins using different combinations and ratios of demineralizing reagents, protein-solubilizing reagents, and post-extraction buffer removal methods, then evaluated tryptic digests from 20 µg aliquots of each fraction by tandem MS/MS on a 12T FT-ICR mass spectrometer. We compared total numbers of peptide spectral matches, peptides, and proteins identified from each fraction, the redundancy of protein identifications between discrete steps of extraction methods, and the sequence coverage obtained for select, abundant proteins. Although both alpha chains of collagen I (the most abundant protein in bone) were found in all fractions, other collagenous and non-collagenous proteins (e.g., apolipoprotein, osteonectin, hemoglobin) were differentially identified. We found that when a standardized amount of extracted proteins was analyzed, extraction steps that yielded the most protein (by weight) from bone were often not the ones that produced the greatest diversity of bone proteins, or the highest degree of protein coverage. Generally, the highest degrees of diversity and coverage were obtained from demineralization fractions, and the proteins found in the subsequent solubilization fractions were highly redundant with those in the previous fraction. Based on these data, we identify future directions and parameters to consider (e.g., proteins targeted, amount of sample required) when applying discrete parts of these protocols to fossils. PMID:27812413

TU-AB-303-06: Does Online Adaptive Radiation Therapy Mean Zero Margin for Intermediate-Risk Prostate Cancer? An Intra-Fractional Seminal Vesicles Motion Analysis

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

Sheng, Y; Li, T; Lee, W

Purpose: To provide benchmark for seminal vesicles (SVs) margin selection to account for intra-fractional motion; and to investigate the effectiveness of two motion surrogates in predicting intra-fractional SV underdosage. Methods: 9 prostate SBRT patients were studied; each has five pairs of pre-treatment and post-treatment cone-beam CTs (CBCTs). Each pair of CBCTs was registered based on fiducial markers in the prostate. To provide “ground truth” for coverage evaluation, all pre-treatment SVs were expanded with isotropic margin of 1,2,3,5 and 8mm, and their overlap with post-treatment SVs were used to quantify intra-fractional coverage. Two commonly used motion surrogates, the center-of-mass (COM) andmore » the border of contour (the most distal points in SI/AP/LR directions) were evaluated using Receiver-Operating Characteristic (ROC) analyses for predicting SV underdosage due to intra-fractional motion. Action threshold of determining underdosage for each surrogate was calculated by selecting the optimal balancing between sensitivity and specificity. For comparison, margin for each surrogate was also calculated based on traditional margin recipe. Results: 90% post-treatment SV coverage can be achieved in 47%, 82%, 91%, 98% and 98% fractions for 1,2,3,5 and 8mm margins. 3mm margin ensured the 90% intra-fractional SV coverage in 90% fractions when prostate was aligned. The ROC analysis indicated the AUC for COM and border were 0.88 and 0.72. The underdosage threshold was 2.9mm for COM and 4.1mm for border. The Van Herk’s margin recipe recommended 0.5, 0 and 1.8mm margin in LR, AP and SI direction based on COM and for border, the corresponding margin was 2.1, 4.5 and 3mm. Conclusion: 3mm isotropic margin is the minimum required to mitigate the intra-fractional SV motion when prostate is aligned. ROC analysis reveals that both COM and border are acceptable predictors for SV underdosage with 2.9mm and 4.1mm action threshold. Traditional margin calculation is less reliable for this application. This work is partially supported a master research grant from Varian Medical Systems.« less

Dosimetric consequences of translational and rotational errors in frame-less image-guided radiosurgery

PubMed Central

2012-01-01

Background To investigate geometric and dosimetric accuracy of frame-less image-guided radiosurgery (IG-RS) for brain metastases. Methods and materials Single fraction IG-RS was practiced in 72 patients with 98 brain metastases. Patient positioning and immobilization used either double- (n = 71) or single-layer (n = 27) thermoplastic masks. Pre-treatment set-up errors (n = 98) were evaluated with cone-beam CT (CBCT) based image-guidance (IG) and were corrected in six degrees of freedom without an action level. CBCT imaging after treatment measured intra-fractional errors (n = 64). Pre- and post-treatment errors were simulated in the treatment planning system and target coverage and dose conformity were evaluated. Three scenarios of 0 mm, 1 mm and 2 mm GTV-to-PTV (gross tumor volume, planning target volume) safety margins (SM) were simulated. Results Errors prior to IG were 3.9 mm ± 1.7 mm (3D vector) and the maximum rotational error was 1.7° ± 0.8° on average. The post-treatment 3D error was 0.9 mm ± 0.6 mm. No differences between double- and single-layer masks were observed. Intra-fractional errors were significantly correlated with the total treatment time with 0.7mm±0.5mm and 1.2mm±0.7mm for treatment times ≤23 minutes and >23 minutes (p<0.01), respectively. Simulation of RS without image-guidance reduced target coverage and conformity to 75% ± 19% and 60% ± 25% of planned values. Each 3D set-up error of 1 mm decreased target coverage and dose conformity by 6% and 10% on average, respectively, with a large inter-patient variability. Pre-treatment correction of translations only but not rotations did not affect target coverage and conformity. Post-treatment errors reduced target coverage by >5% in 14% of the patients. A 1 mm safety margin fully compensated intra-fractional patient motion. Conclusions IG-RS with online correction of translational errors achieves high geometric and dosimetric accuracy. Intra-fractional errors decrease target coverage and conformity unless compensated with appropriate safety margins. PMID:22531060

Global distribution and surface activity of macromolecules in offline simulations of marine organic chemistry

DOE PAGES

Ogunro, Oluwaseun O.; Burrows, Susannah M.; Elliott, Scott; ...

2015-10-13

Here, organic macromolecules constitute high percentage components of remote sea spray. They enter the atmosphere through adsorption onto bubbles followed by bursting at the ocean surface, and go on to influence the chemistry of the fine mode aerosol. We present a global estimate of mixed-layer organic macromolecular distributions, driven by offline marine systems model output. The approach permits estimation of oceanic concentrations and bubble film surface coverages for several classes of organic compound. Mixed layer levels are computed from the output of a global ocean biogeochemistry model by relating the macromolecules to standard biogeochemical tracers. Steady state is assumed formore » labile forms, and for longer-lived components we rely on ratios to existing transported variables. Adsorption is then represented through conventional Langmuir isotherms, with equilibria deduced from laboratory analogs. Open water concentrations locally exceed one micromolar carbon for the total of protein, polysaccharide and refractory heteropolycondensate. The shorter-lived lipids remain confined to regions of strong biological activity. Results are evaluated against available measurements for all compound types, and agreement is generally quite reasonable. Global distributions are further estimated for both fractional coverage of bubble films at the air-water interface and the two-dimensional concentration excess. Overall, we show that macromolecular mapping provides a novel tool for the comprehension of oceanic surfactant distributions. Results may prove useful in planning field experiments and assessing the potential response of surface chemical behaviors to global change.« less

Phosphonic Acids on an Atomically Defined Oxide Surface: The Binding Motif Changes with Surface Coverage.

PubMed

Schuschke, Christian; Schwarz, Matthias; Hohner, Chantal; Silva, Thais N; Fromm, Lukas; Döpper, Tibor; Görling, Andreas; Libuda, Jörg

2018-04-19

We have studied the anchoring mechanism of a phosphonic acid on an atomically defined oxide surface. Using time-resolved infrared reflection absorption spectroscopy, we investigated the reaction of deuterated phenylphosphonic acid (DPPA, C 6 H 5 PO 3 D 2 ) with an atomically defined Co 3 O 4 (111) surface in situ during film growth by physical vapor deposition. We show that the binding motif of the phosphonate anchor group changes as a function of coverage. At low coverage, DPPA binds in the form of a chelating tridentate phosphonate, while a transition to a chelating bidentate occurs close to monolayer saturation coverage. However, the coverage-dependent change in the binding motif is not associated with a major change of the molecular orientation, suggesting that the rigid phosphonate linker always maintains the DPPA in a strongly tilted orientation irrespective of the surface coverage.

Competition between plant functional types in the Canadian Terrestrial Ecosystem Model (CTEM) v. 2.0

NASA Astrophysics Data System (ADS)

Melton, J. R.; Arora, V. K.

2015-06-01

The Canadian Terrestrial Ecosystem Model (CTEM) is the interactive vegetation component in the Earth system model of the Canadian Centre for Climate Modelling and Analysis. CTEM models land-atmosphere exchange of CO2 through the response of carbon in living vegetation, and dead litter and soil pools, to changes in weather and climate at timescales of days to centuries. Version 1.0 of CTEM uses prescribed fractional coverage of plant functional types (PFTs) although, in reality, vegetation cover continually adapts to changes in climate, atmospheric composition, and anthropogenic forcing. Changes in the spatial distribution of vegetation occur on timescales of years to centuries as vegetation distributions inherently have inertia. Here, we present version 2.0 of CTEM which includes a representation of competition between PFTs based on a modified version of the Lotka-Volterra (L-V) predator-prey equations. Our approach is used to dynamically simulate the fractional coverage of CTEM's seven natural, non-crop PFTs which are then compared with available observation-based estimates. Results from CTEM v. 2.0 show the model is able to represent the broad spatial distributions of its seven PFTs at the global scale. However, differences remain between modelled and observation-based fractional coverages of PFTs since representing the multitude of plant species globally, with just seven non-crop PFTs, only captures the large scale climatic controls on PFT distributions. As expected, PFTs that exist in climate niches are difficult to represent either due to the coarse spatial resolution of the model, and the corresponding driving climate, or the limited number of PFTs used. We also simulate the fractional coverages of PFTs using unmodified L-V equations to illustrate its limitations. The geographic and zonal distributions of primary terrestrial carbon pools and fluxes from the versions of CTEM that use prescribed and dynamically simulated fractional coverage of PFTs compare reasonably well with each other and observation-based estimates. The parametrization of competition between PFTs in CTEM v. 2.0 based on the modified L-V equations behaves in a reasonably realistic manner and yields a tool with which to investigate the changes in spatial distribution of vegetation in response to future changes in climate.

Competition between plant functional types in the Canadian Terrestrial Ecosystem Model (CTEM) v. 2.0

NASA Astrophysics Data System (ADS)

Melton, J. R.; Arora, V. K.

2016-01-01

The Canadian Terrestrial Ecosystem Model (CTEM) is the interactive vegetation component in the Earth system model of the Canadian Centre for Climate Modelling and Analysis. CTEM models land-atmosphere exchange of CO2 through the response of carbon in living vegetation, and dead litter and soil pools, to changes in weather and climate at timescales of days to centuries. Version 1.0 of CTEM uses prescribed fractional coverage of plant functional types (PFTs) although, in reality, vegetation cover continually adapts to changes in climate, atmospheric composition and anthropogenic forcing. Changes in the spatial distribution of vegetation occur on timescales of years to centuries as vegetation distributions inherently have inertia. Here, we present version 2.0 of CTEM, which includes a representation of competition between PFTs based on a modified version of the Lotka-Volterra (L-V) predator-prey equations. Our approach is used to dynamically simulate the fractional coverage of CTEM's seven natural, non-crop PFTs, which are then compared with available observation-based estimates. Results from CTEM v. 2.0 show the model is able to represent the broad spatial distributions of its seven PFTs at the global scale. However, differences remain between modelled and observation-based fractional coverage of PFTs since representing the multitude of plant species globally, with just seven non-crop PFTs, only captures the large-scale climatic controls on PFT distributions. As expected, PFTs that exist in climate niches are difficult to represent either due to the coarse spatial resolution of the model, and the corresponding driving climate, or the limited number of PFTs used. We also simulate the fractional coverage of PFTs using unmodified L-V equations to illustrate its limitations. The geographic and zonal distributions of primary terrestrial carbon pools and fluxes from the versions of CTEM that use prescribed and dynamically simulated fractional coverage of PFTs compare reasonably well with each other and observation-based estimates. The parametrization of competition between PFTs in CTEM v. 2.0 based on the modified L-V equations behaves in a reasonably realistic manner and yields a tool with which to investigate the changes in spatial distribution of vegetation in response to future changes in climate.

TU-AB-BRB-02: Stochastic Programming Methods for Handling Uncertainty and Motion in IMRT Planning

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

Unkelbach, J.

The accepted clinical method to accommodate targeting uncertainties inherent in fractionated external beam radiation therapy is to utilize GTV-to-CTV and CTV-to-PTV margins during the planning process to design a PTV-conformal static dose distribution on the planning image set. Ideally, margins are selected to ensure a high (e.g. >95%) target coverage probability (CP) in spite of inherent inter- and intra-fractional positional variations, tissue motions, and initial contouring uncertainties. Robust optimization techniques, also known as probabilistic treatment planning techniques, explicitly incorporate the dosimetric consequences of targeting uncertainties by including CP evaluation into the planning optimization process along with coverage-based planning objectives. Themore » treatment planner no longer needs to use PTV and/or PRV margins; instead robust optimization utilizes probability distributions of the underlying uncertainties in conjunction with CP-evaluation for the underlying CTVs and OARs to design an optimal treated volume. This symposium will describe CP-evaluation methods as well as various robust planning techniques including use of probability-weighted dose distributions, probability-weighted objective functions, and coverage optimized planning. Methods to compute and display the effect of uncertainties on dose distributions will be presented. The use of robust planning to accommodate inter-fractional setup uncertainties, organ deformation, and contouring uncertainties will be examined as will its use to accommodate intra-fractional organ motion. Clinical examples will be used to inter-compare robust and margin-based planning, highlighting advantages of robust-plans in terms of target and normal tissue coverage. Robust-planning limitations as uncertainties approach zero and as the number of treatment fractions becomes small will be presented, as well as the factors limiting clinical implementation of robust planning. Learning Objectives: To understand robust-planning as a clinical alternative to using margin-based planning. To understand conceptual differences between uncertainty and predictable motion. To understand fundamental limitations of the PTV concept that probabilistic planning can overcome. To understand the major contributing factors to target and normal tissue coverage probability. To understand the similarities and differences of various robust planning techniques To understand the benefits and limitations of robust planning techniques.« less

Dosimetric advantages of a clinical daily adaptive plan selection strategy compared with a non-adaptive strategy in cervical cancer radiation therapy.

PubMed

van de Schoot, Agustinus J A J; de Boer, Peter; Visser, Jorrit; Stalpers, Lukas J A; Rasch, Coen R N; Bel, Arjan

2017-05-01

Radiation therapy (RT) using a daily plan selection adaptive strategy can be applied to account for interfraction organ motion while limiting organ at risk dose. The aim of this study was to quantify the dosimetric consequences of daily plan selection compared with non-adaptive RT in cervical cancer. Ten consecutive patients who received pelvic irradiation, planning CTs (full and empty bladder), weekly post-fraction CTs and pre-fraction CBCTs were included. Non-adaptive plans were generated based on the PTV defined using the full bladder planning CT. For the adaptive strategy, multiple PTVs were created based on both planning CTs by ITVs of the primary CTVs (i.e., GTV, cervix, corpus-uterus and upper part of the vagina) and corresponding library plans were generated. Daily CBCTs were rigidly aligned to the full bladder planning CT for plan selection. For daily plan recalculation, selected CTs based on initial similarity were deformably registered to CBCTs. Differences in daily target coverage (D 98%  > 95%) and in V 0.5Gy , V 1.5Gy , V 2Gy , D 50% and D 2% for rectum, bladder and bowel were assessed. Non-adaptive RT showed inadequate primary CTV coverage in 17% of the daily fractions. Plan selection compensated for anatomical changes and improved primary CTV coverage significantly (p < 0.01) to 98%. Compared with non-adaptive RT, plan selection decreased the fraction dose to rectum and bowel indicated by significant (p < 0.01) improvements for daily V 0.5Gy , V 1.5Gy , V 2Gy , D 50% and D 2% . However, daily plan selection significantly increased the bladder V 1.5Gy , V 2Gy , D 50% and D 2% . In cervical cancer RT, a non-adaptive strategy led to inadequate target coverage for individual patients. Daily plan selection corrected for day-to-day anatomical variations and resulted in adequate target coverage in all fractions. The dose to bowel and rectum was decreased significantly when applying adaptive RT.

Dithiothreitol-Regulated Coverage of Oligonucleotide-Modified Gold Nanoparticles To Achieve Optimized Biosensor Performance.

PubMed

Liang, Pingping; Canoura, Juan; Yu, Haixiang; Alkhamis, Obtin; Xiao, Yi

2018-01-31

DNA-modified gold nanoparticles (AuNPs) are useful signal-reporters for detecting diverse molecules through various hybridization- and enzyme-based assays. However, their performance is heavily dependent on the probe DNA surface coverage, which can influence both target binding and enzymatic processing of the bound probes. Current methods used to adjust the surface coverage of DNA-modified AuNPs require the production of multiple batches of AuNPs under different conditions, which is costly and laborious. We here develop a single-step assay utilizing dithiothreitol (DTT) to fine-tune the surface coverage of DNA-modified AuNPs. DTT is superior to the commonly used surface diluent, mercaptohexanol, as it is less volatile, allowing for the rapid and reproducible controlling of surface coverage on AuNPs with only micromolar concentrations of DTT. Upon adsorption, DTT forms a dense monolayer on gold surfaces, which provides antifouling capabilities. Furthermore, surface-bound DTT adopts a cyclic conformation, which reorients DNA probes into an upright position and provides ample space to promote DNA hybridization, aptamer assembly, and nuclease digestion. We demonstrate the effects of surface coverage on AuNP-based sensors using DTT-regulated DNA-modified AuNPs. We then use these AuNPs to visually detect DNA and cocaine in colorimetric assays based on enzyme-mediated AuNP aggregation. We determine that DTT-regulated AuNPs with lower surface coverage achieve shorter reaction times and lower detection limits relative to those for assays using untreated AuNPs or DTT-regulated AuNPs with high surface coverage. Additionally, we demonstrate that our DTT-regulated AuNPs can perform cocaine detection in 50% urine without any significant matrix effects. We believe that DTT regulation of surface coverage can be broadly employed for optimizing DNA-modified AuNP performance for use in biosensors as well as drug delivery and therapeutic applications.

Rapid soil formation after glacial retreat shaped by spatial patterns of organic matter accrual in microaggregates.

PubMed

Schweizer, Steffen A; Hoeschen, Carmen; Schlüter, Steffen; Kögel-Knabner, Ingrid; Mueller, Carsten W

2018-04-01

Global change contributes to the retreat of glaciers at unprecedented rates. The deglaciation facilitates biogeochemical processes on glacial deposits with initiating soil formation as an important driver of evolving ecosystems. The underlying mechanisms of soil formation and the association of soil organic matter (SOM) with mineral particles remain unclear, although further insights are critical to understand carbon sequestration in soils. We investigated the microspatial arrangement of SOM coatings at intact soil microaggregate structures during various stages of ecosystem development from 15 to >700 years after deglaciation in the proglacial environment of the Damma glacier (Switzerland). The functionally important clay-sized fraction (<2 μm) was separated into two density fractions with different amounts of organo-mineral associations: light (1.6-2.2 g/cm 3 ) and heavy (>2.2 g/cm 3 ). To quantify how SOM extends across the surface of mineral particles (coverage) and whether SOM coatings are distributed in fragmented or connected patterns (connectivity), we developed an image analysis protocol based on nanoscale secondary ion mass spectrometry (NanoSIMS). We classified SOM and mineral areas depending on the 16 O - , 12 C - , and 12 C 14 N - distributions. With increasing time after glacial retreat, the microspatial coverage and connectivity of SOM increased rapidly. The rapid soil formation led to a succession of patchy distributed to more connected SOM coatings on soil microaggregates. The maximum coverage of 55% at >700 years suggests direct evidence for SOM sequestration being decoupled from the mineral surface, as it was not completely masked by SOM and retained its functionality as an ion exchange site. The chemical composition of SOM coatings showed a rapid change toward a higher CN:C ratio already at 75 years after glacial retreat, which was associated with microbial succession patterns reflecting high N assimilation. Our results demonstrate that rapid SOM sequestration drives the microspatial succession of SOM coatings in soils, a process that can stabilize SOM for the long term. © 2017 John Wiley & Sons Ltd.

Theoretical aspects of studies of high coverage oxidation of the Cu(100) surface using low energy positrons

NASA Astrophysics Data System (ADS)

Fazleev, N. G.; Maddox, W. B.

2010-10-01

The study of adsorption of oxygen on transition metal surface is important for the understanding of oxidation, heterogeneous catalysis, and metal corrosion. The structures formed on transition metal surfaces vary from simple adlayers of chemisorbed oxygen to oxygen diffusion into the sub-surface region and the formation of oxides. In this work we present the results of an ab-initio investigation of positron surface and bulk states and annihilation probabilities of surface-trapped positrons with relevant core electrons at the oxidized Cu(100) surface under conditions of high oxygen coverage. Calculations are performed for various high coverage missing row structures ranging between 0.50 and 1.50 ML oxygen coverage. Calculations are also performed for the on-surface adsorption of oxygen on the unreconstructed Cu(001) surface for coverages up to one monolayer to use for comparison. The geometry of the surfaces with adsorbed oxygen is fully optimized. Theoretical results are compared with experimental data obtained from studies of oxidation of the Cu(100) surface using positron annihilation induced Auger electron spectroscopy.

RNA-seq: technical variability and sampling

PubMed Central

2011-01-01

Background RNA-seq is revolutionizing the way we study transcriptomes. mRNA can be surveyed without prior knowledge of gene transcripts. Alternative splicing of transcript isoforms and the identification of previously unknown exons are being reported. Initial reports of differences in exon usage, and splicing between samples as well as quantitative differences among samples are beginning to surface. Biological variation has been reported to be larger than technical variation. In addition, technical variation has been reported to be in line with expectations due to random sampling. However, strategies for dealing with technical variation will differ depending on the magnitude. The size of technical variance, and the role of sampling are examined in this manuscript. Results In this study three independent Solexa/Illumina experiments containing technical replicates are analyzed. When coverage is low, large disagreements between technical replicates are apparent. Exon detection between technical replicates is highly variable when the coverage is less than 5 reads per nucleotide and estimates of gene expression are more likely to disagree when coverage is low. Although large disagreements in the estimates of expression are observed at all levels of coverage. Conclusions Technical variability is too high to ignore. Technical variability results in inconsistent detection of exons at low levels of coverage. Further, the estimate of the relative abundance of a transcript can substantially disagree, even when coverage levels are high. This may be due to the low sampling fraction and if so, it will persist as an issue needing to be addressed in experimental design even as the next wave of technology produces larger numbers of reads. We provide practical recommendations for dealing with the technical variability, without dramatic cost increases. PMID:21645359

Analysis of cloud top height and cloud coverage from satellites using the O2 A and B bands

NASA Technical Reports Server (NTRS)

Kuze, Akihiko; Chance, Kelly V.

1994-01-01

Cloud height and cloud coverage detection are important for total ozone retrieval using ultraviolet and visible scattered light. Use of the O2 A and B bands, around 761 and 687 nm, by a satellite-borne instrument of moderately high spectral resolution viewing in the nadir makes it possible to detect cloud top height and related parameters, including fractional coverage. The measured values of a satellite-borne spectrometer are convolutions of the instrument slit function and the atmospheric transmittance between cloud top and satellite. Studies here determine the optical depth between a satellite orbit and the Earth or cloud top height to high accuracy using FASCODE 3. Cloud top height and a cloud coverage parameter are determined by least squares fitting to calculated radiance ratios in the oxygen bands. A grid search method is used to search the parameter space of cloud top height and the coverage parameter to minimize an appropriate sum of squares of deviations. For this search, nonlinearity of the atmospheric transmittance (i.e., leverage based on varying amounts of saturation in the absorption spectrum) is important for distinguishing between cloud top height and fractional coverage. Using the above-mentioned method, an operational cloud detection algorithm which uses minimal computation time can be implemented.

SU-C-210-02: Impact of Intrafractional Motion On TomoTherapy Stereotactic Body Radiotherapy (SBRT) 4D Dosimetry

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

Lian, J; Matney, J; Chao, E

2015-06-15

Purpose: TomoTherapy treatment has unique challenges in handling intrafractional motion compared to conventional LINAC. This study is aimed to gain a realistic and quantitative understanding of motion impact on TomoTherapy SBRT treatment of lung and prostate cancer patients. Methods: A 4D dose engine utilizing GPUs and including motion during treatment was developed for the efficient simulation of TomoTherapy delivered dosimetry. Two clinical CyberKnife lung cases with respiratory motion tracking and two prostate cases with a slower non-periodical organ motion treated by LINAC plus Calypso tracking were used in the study. For each disease site, one selected case has an averagemore » motion (6mm); the other has a large motion (10mm for lung and 15mm for prostate). SBRT of lung and prostate cases were re-planned on TomoTherapy with 12 Gyx4 fractions and 7Gyx5 fractions, respectively, all with 95% PTV coverage. Each case was planned with 4 jaw settings: 1) conventional 1cm static, 2) 2.5cm static, 3) 2.5cm dynamic, and 4) 5cm dynamic. The intrafractional rigid motion of the target was applied in the dose calculation of individual fractions of each plan and total dose was accumulated from multiple fractions. Results: For 1cm static jaw plans with motions applied, PTV coverage is related to motion type and amplitude. For SBRT patients with average motion (6mm), the PTV coverage remains > 95% for lung case and 74% for prostate case. For cases with large motion, PTV coverage drops to 61% for lung SBRT and 49% for prostate SBRT. Plans with other jaws improve uniformity of moving target, but still suffer from poor PTV coverage (< 70%). Conclusion: TomoTherapy lung SBRT is less motion-impacted when average amplitude of respiratory-induced intrafractional motion is present (6mm). When motion is large and/or non-periodic (prostate), all studied plans lead to significantly decreased target coverage in actual delivered dosimetry.« less

Studies of high coverage oxidation of the Cu(100) surface using low energy positrons

NASA Astrophysics Data System (ADS)

Fazleev, N. G.; Maddox, W. B.; Weiss, A. H.

2012-02-01

The study of oxidation of single crystal metal surfaces is important in understanding the corrosive and catalytic processes associated with thin film metal oxides. The structures formed on oxidized transition metal surfaces vary from simple adlayers of chemisorbed oxygen to more complex structures which result from the diffusion of oxygen into subsurface regions. In this work we present the results of theoretical studies of positron surface and bulk states and annihilation probabilities of surface-trapped positrons with relevant core electrons at the oxidized Cu(100) surface under conditions of high oxygen coverage. Calculations are performed for various high coverage missing row structures ranging between 0.50 and 1.50 ML oxygen coverage. The results of calculations of positron binding energy, positron work function, and annihilation characteristics of surface trapped positrons with relevant core electrons as function of oxygen coverage are compared with experimental data obtained from studies of oxidation of the Cu(100) surface using positron annihilation induced Auger electron spectroscopy (PAES).

Lightning data study in conjunction with geostationary satellite data

NASA Technical Reports Server (NTRS)

Auvine, Brian; Martin, David W.

1987-01-01

During the summer of 1985, cloud-to-ground stroke lightning were collected. Thirty minute samples of lightning were compared with GOES IR fractional cold cloud coverage computed for three temperature thresholds (213, 243, and 273 K) twice daily (morning and evening). It was found that satellite measurements of cold cloud have a relationship to the flashrate and, in a more limited way, to the polarity and numbers of return strokes. Results varied little by location. Lightning, especially positive strokes, was found to be correlated with fractional cloud coverage, especially for clouds at or below 213 K. Other data and correlations are discussed.

Land Area Change and Fractional Water Maps in the Chenier Plain, Louisiana, following Hurricane Rita (2005)

USGS Publications Warehouse

Palaseanu-Lovejoy, Monica; Kranenburg, Christine J.; Brock, John C.

2010-01-01

In this study, we estimated the changes in land and water coverage of a 1,961-square-kilometer (km2) area in Louisiana's Chenier Plain. The study area is roughly centered on the Sabine National Wildlife Refuge, which was impacted by Hurricane Rita on September 24, 2005. The objective of this study is twofold: (1) to provide pre- and post-Hurricane Rita moderate-resolution (30-meter (m)) fractional water maps based upon multiple source images, and (2) to quantify land and water coverage changes due to Hurricane Rita.

Theoretical studies of positron states and annihilation characteristics at the oxidized Cu(100) surface

NASA Astrophysics Data System (ADS)

Fazleev, N. G.; Weiss, A. H.

2013-04-01

In this work we present the results of theoretical studies of positron surface and bulk states and annihilation probabilities of surface-trapped positrons with relevant core electrons at the oxidized Cu(100) surface under conditions of high oxygen coverage. An ab-initio study of the electronic properties of the Cu(100) missing row reconstructed surface at various on surface and sub-surface oxygen coverages has been performed on the basis of the density functional theory (DFT) using the Dmol3 code and the generalized gradient approximation (GGA). Surface structures in calculations have been constructed by adding oxygen atoms to various surface hollow and sub-surface octahedral sites of the 0.5 monolayer (ML) missing row reconstructed phase of the Cu(100) surface with oxygen coverages ranging from 0.5 to 1.5 ML. The charge redistribution at the surface and variations in atomic structure and chemical composition of the topmost layers associated with oxidation and surface reconstruction have been found to affect the spatial extent and localization of the positron surface state wave function and annihilation probabilities of surface trapped positrons with relevant core electrons. Theoretical results are compared with experimental data obtained from studies of oxidation of the Cu(100) surface using positron annihilation induced Auger electron spectroscopy (PAES). It has been shown that positron annihilation probabilities with Cu 3s and 3p core electrons decrease when total (on-surface and sub-surface) oxygen coverage of the Cu(100) surface increases up to 1 ML. The calculations show that for high oxygen coverage when total oxygen coverage is 1. 5 ML the positron is not bound to the surface.

Theoretical studies of positron states and annihilation characteristics at the oxidized Cu(100) surface

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

Fazleev, N. G.; Weiss, A. H.

2013-04-19

In this work we present the results of theoretical studies of positron surface and bulk states and annihilation probabilities of surface-trapped positrons with relevant core electrons at the oxidized Cu(100) surface under conditions of high oxygen coverage. An ab-initio study of the electronic properties of the Cu(100) missing row reconstructed surface at various on surface and sub-surface oxygen coverages has been performed on the basis of the density functional theory (DFT) using the Dmol3 code and the generalized gradient approximation (GGA). Surface structures in calculations have been constructed by adding oxygen atoms to various surface hollow and sub-surface octahedral sitesmore » of the 0.5 monolayer (ML) missing row reconstructed phase of the Cu(100) surface with oxygen coverages ranging from 0.5 to 1.5 ML. The charge redistribution at the surface and variations in atomic structure and chemical composition of the topmost layers associated with oxidation and surface reconstruction have been found to affect the spatial extent and localization of the positron surface state wave function and annihilation probabilities of surface trapped positrons with relevant core electrons. Theoretical results are compared with experimental data obtained from studies of oxidation of the Cu(100) surface using positron annihilation induced Auger electron spectroscopy (PAES). It has been shown that positron annihilation probabilities with Cu 3s and 3p core electrons decrease when total (on-surface and sub-surface) oxygen coverage of the Cu(100) surface increases up to 1 ML. The calculations show that for high oxygen coverage when total oxygen coverage is 1. 5 ML the positron is not bound to the surface.« less

Surface coverage with single vs. multiple gaze surface topography to fit scleral lenses.

PubMed

DeNaeyer, Gregory; Sanders, Donald R; Farajian, Timothy S

2017-06-01

To determine surface coverage of measurements using the sMap3D ® corneo-scleral topographer in patients presenting for scleral lens fitting. Twenty-five eyes of 23 scleral lens patients were examined. Up-gaze, straight-gaze, and down-gaze positions of each eye were "stitched" into a single map. The percentage surface coverage between 10mm and 20mm diameter circles from corneal center was compared between the straight-gaze and stitched images. Scleral toricity magnitude was calculated at 100% coverage and at the same diameter after 50% of the data was removed. At a 10mm diameter from corneal center, the straight-gaze and stitched images both had 100% coverage. At the 14, 15, 16, 18 and 20mm diameters, the straight-gaze image only covered 68%, 53%, 39%, 18%, and 6% of the ocular surface diameters while the stitched image covered 98%, 96%, 93%, 75%, and 32% respectively. In the case showing the most scleral coverage at 16mm (straight-gaze), there was only 75% coverage (straight-gaze) compared to 100% (stitched image); the case with the least coverage had 7% (straight gaze) and 92% (stitched image). The 95% limits of agreement between the 50% and 100% coverage scleral toricity was between -1.4D (50% coverage value larger) and 1.2D (100% coverage larger), a 2.6D spread. The absolute difference between 50% to 100% coverage scleral toricity was ≥0.50D in 28% and ≥1.0D in 16% of cases. It appears that a single straight-gaze image would introduce significant measurement inaccuracy in fitting scleral lenses using the sMap3D while a 3-gaze stitched image would not. Copyright © 2017 British Contact Lens Association. Published by Elsevier Ltd. All rights reserved.

Influence of impaired lipoprotein biogenesis on surface and exoproteome of Streptococcus pneumoniae.

PubMed

Pribyl, Thomas; Moche, Martin; Dreisbach, Annette; Bijlsma, Jetta J E; Saleh, Malek; Abdullah, Mohammed R; Hecker, Michael; van Dijl, Jan Maarten; Becher, Dörte; Hammerschmidt, Sven

2014-02-07

Surface proteins are important for the fitness and virulence of the Gram-positive pathogen Streptococcus pneumoniae. They are crucial for interaction of the pathogen with its human host during infection. Therefore, the analysis of the pneumococcal surface proteome is an important task that requires powerful tools. In this study, two different methods, an optimized biotinylation approach and shaving with trypsin beads, were applied to study the pneumococcal surface proteome and to identify surface-exposed protein domains, respectively. The identification of nearly 95% of the predicted lipoproteins and 75% of the predicted sortase substrates reflects the high coverage of the two classical surface protein classes accomplished in this study. Furthermore, the biotinylation approach was applied to study the impact of an impaired lipoprotein maturation pathway on the cell envelope proteome and exoproteome. Loss of the lipoprotein diacylglyceryl transferase Lgt leads to striking changes in the lipoprotein distribution. Many lipoproteins disappear from the surface proteome and accumulate in the exoproteome. Further insights into lipoprotein processing in pneumococci are provided by immunoblot analyses of bacterial lysates and corresponding supernatant fractions. Taken together, the first comprehensive overview of the pneumococcal surface and exoproteome is presented, and a model for lipoprotein processing in S. pneumoniae is proposed.

Titan Surface Temperatures as Measured by Cassini CIRS

NASA Technical Reports Server (NTRS)

Jennings, Donald E.; Flasar, F.M.; Kunde, V.G.; Nixon, C.A.; Romani, P.N.; Samuelson, R.E.; Coustenis, A.; Courtin, R.

2009-01-01

Thermal radiation from the surface of Titan reaches space through a spectral window of low opacity at 19-microns wavelength. This radiance gives a measure of the brightness temperature of the surface. Composite Infrared Spectrometer' (CIRS) observations from Cassini during its first four years at Saturn have permitted latitude mapping of zonally averaged surface temperatures. The measurements are corrected for atmospheric opacity using the dependence of radiance on emission angle. With the more complete latitude coverage and much larger dataset of CIRS we have improved upon the original results from Voyager IRIS. CIRS measures the equatorial surface brightness temperature to be 93.7+/-0.6 K, the same as the temperature measured at the Huygens landing site. The surface brightness temperature decreases by 2 K toward the south pole and by 3 K toward the north pole. The drop in surface temperature between equator and north pole implies a 50% decrease in methane saturation vapor pressure and relative humidity; this may help explain the large northern lakes. The H2 mole fraction is derived as a by-product of our analysis and agrees with previous results. Evidence of seasonal variation in surface and atmospheric temperatures is emerging from CIRS measurements over the Cassini mission.

Adsorption of Small Cationic Nanoparticles onto Large Anionic Particles from Aqueous Solution: A Model System for Understanding Pigment Dispersion and the Problem of Effective Particle Density.

PubMed

North, S M; Jones, E R; Smith, G N; Mykhaylyk, O O; Annable, T; Armes, S P

2017-02-07

The present study focuses on the use of copolymer nanoparticles as a dispersant for a model pigment (silica). Reversible addition-fragmentation chain transfer (RAFT) alcoholic dispersion polymerization was used to synthesize sterically stabilized diblock copolymer nanoparticles. The steric stabilizer block was poly(2-(dimethylamino)ethyl methacrylate) (PDMA) and the core-forming block was poly(benzyl methacrylate) (PBzMA). The mean degrees of polymerization for the PDMA and PBzMA blocks were 71 and 100, respectively. Transmission electron microscopy (TEM) studies confirmed a near-monodisperse spherical morphology, while dynamic light scattering (DLS) studies indicated an intensity-average diameter of 30 nm. Small-angle X-ray scattering (SAXS) reported a volume-average diameter of 29 ± 0.5 nm and a mean aggregation number of 154. Aqueous electrophoresis measurements confirmed that these PDMA 71 -PBzMA 100 nanoparticles acquired cationic character when transferred from ethanol to water as a result of protonation of the weakly basic PDMA chains. Electrostatic adsorption of these nanoparticles from aqueous solution onto 470 nm silica particles led to either flocculation at submonolayer coverage or steric stabilization at or above monolayer coverage, as judged by DLS. This technique indicated that saturation coverage was achieved on addition of approximately 465 copolymer nanoparticles per silica particle, which corresponds to a fractional surface coverage of around 0.42. These adsorption data were corroborated using thermogravimetry, UV spectroscopy and X-ray photoelectron spectroscopy. TEM studies indicated that the cationic nanoparticles remained intact on the silica surface after electrostatic adsorption, while aqueous electrophoresis confirmed that surface charge reversal occurred below pH 7. The relatively thick layer of adsorbed nanoparticles led to a significant reduction in the effective particle density of the silica particles from 1.99 g cm -3 to approximately 1.74 g cm -3 , as judged by disk centrifuge photosedimentometry (DCP). Combining the DCP and SAXS data suggests that essentially no deformation of the PBzMA cores occurs during nanoparticle adsorption onto the silica particles.

Single molecule magnets with protective ligand shells on gold and titanium dioxide surfaces: In situ electrospray deposition and x-ray absorption spectroscopy

NASA Astrophysics Data System (ADS)

Handrup, Karsten; Richards, Victoria J.; Weston, Matthew; Champness, Neil R.; O'Shea, James N.

2013-10-01

Two single molecule magnets based on the dodecamanganese (III, IV) cluster with either benzoate or terphenyl-4-carboxylate ligands, have been studied on the Au(111) and rutile TiO2(110) surfaces. We have used in situ electrospray deposition to produce a series of surface coverages from a fraction of a monolayer to multilayer films in both cases. X-ray absorption spectroscopy measured at the Mn L-edge (Mn 2p) has been used to study the effect of adsorption on the oxidation states of the manganese atoms in the core. In the case of the benzoate-functionalised complex reduction of the manganese metal centres is observed due to the interaction of the manganese core with the underlying surface. In the case of terphenyl-4-carboxylate, the presence of this much larger ligand prevents the magnetic core from interacting with either the gold or the titanium dioxide surfaces and the characteristic Mn3+ and Mn4+ oxidation states necessary for magnetic behaviour are preserved.

Energetics of CO2 and H2O adsorption on zinc oxide.

PubMed

Gouvêa, Douglas; Ushakov, Sergey V; Navrotsky, Alexandra

2014-08-05

Adsorption of H2O and CO2 on zinc oxide surfaces was studied by gas adsorption calorimetry on nanocrystalline samples prepared by laser evaporation in oxygen to minimize surface impurities and degassed at 450 °C. Differential enthalpies of H2O and CO2 chemisorption are in the range -150 ±10 kJ/mol and -110 ±10 kJ/mol up to a coverage of 2 molecules per nm(2). Integral enthalpy of chemisorption for H2O is -96.8 ±2.5 kJ/mol at 5.6 H2O/nm(2) when enthalpy of water condensation is reached, and for CO2 is -96.6 ±2.5 kJ/mol at 2.6 CO2/nm(2) when adsorption ceases. These values are consistent with those reported for ZnO prepared by other methods after similar degas conditions. The similar energetics suggests possible competition of CO2 and H2O for binding to ZnO surfaces. Exposure of bulk and nanocrystalline ZnO with preadsorbed CO2 to water vapor results in partial displacement of CO2 by H2O. In contrast, temperature-programmed desorption (TPD) indicates that a small fraction of CO2 is retained on ZnO surfaces up to 800 °C, under conditions where all H2O is desorbed, with adsorption energies near -200 kJ/mol. Although molecular mechanisms of adsorption were not studied, the thermodynamic data are consistent with dissociative adsorption of H2O at low coverage and with several different modes of CO2 binding.

Differential impacts of public health insurance expansions at the local level.

PubMed

Baughman, Reagan

2007-03-01

Dramatic expansions in public health insurance eligibility for U.S. children have only modestly reduced the aggregate number of uninsured at the national level. This paper shows that Medicaid and SCHIP expansions had different impacts on child health insurance coverage patterns based upon local labor market characteristics. Metropolitan areas with high levels of unemployment were most likely to have seen improvements in overall insurance coverage for children between 1990 and 2001. Areas with greater fractions of employment in services, retail or wholesale trade were more likely to have experienced increases in public coverage but not overall coverage rates.

Growth of Monolayer Graphene on Nanoscale Copper-Nickel Alloy Thin Films

PubMed Central

Cho, Joon Hyong; Gorman, Jason J.; Na, Seung Ryul; Cullinan, Michael

2017-01-01

Growth of high quality and monolayer graphene on copper thin films on silicon wafers is a promising approach to massive and direct graphene device fabrication in spite of the presence of potential dewetting issues in the copper film during graphene growth. Current work demonstrates roles of a nickel adhesion coupled with the copper film resulting in mitigation of dewetting problem as well as uniform monolayer graphene growth over 97 % coverage on films. The feasibility of monolayer graphene growth on Cu-Ni alloy films as thin as 150 nm in total is also demonstrated. During the graphene growth on Cu-Ni films, the nickel adhesion layer uniformly diffuses into the copper thin film resulting in a Cu-Ni alloy, helping to promote graphene nucleation and large area surface coverage. Furthermore, it was found that the use of extremely thin metal catalyst films also constraint the total amount of carbon that can be absorbed into the film during growth, which helps to eliminate adlayer formation and promote monolayer growth regardless of alloying content, thus improving the monolayer fraction of graphene coverage on the thinner films. These results suggest a path forward for the large scale integration of high quality, monolayer graphene into nanoelectronic and nanomechanical devices. PMID:28669999

Growth and structural evolution of Sn on Ag(001): Epitaxial monolayer to thick alloy film

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

Chakraborty, Suvankar; Menon, Krishnakumar S. R., E-mail: krishna.menon@saha.ac.in

The growth and structure of Sn on Ag(001), from submonolayer to thick film coverages at room temperature, are studied using low energy electron diffraction, x-ray photoemission spectroscopy and angle-resolved photoemission spectroscopy (ARPES) techniques. The authors observe different growth modes for submonolayer Sn coverages and for higher Sn coverages. Systematic surface structural evolution, consistent with the substitution of surface Ag atoms by Sn atoms, is observed for submonolayer Sn coverages while an ordered Ag-Sn bulk alloy film is formed for higher Sn coverages with an Ag overlayer. For monolayer coverage of Sn, a pseudomorphic growth of a Sn layer without alloyingmore » is determined. ARPES results also confirm the presence of an ordered Ag overlayer on the bulk Ag-Sn alloy film, suggesting the formation of an Ag/Ag{sub 3}Sn/Ag(001) sandwich structure at the surface for higher Sn coverages. The present results illustrate the complex interplay of atomic mobilities, surface free-energies, and alloy formation energies in determining the growth and structural properties of the system.« less

Using lidar and effective LAI data to evaluate IKONOS and Landsat 7 ETM+ vegetation cover estimates in a ponderosa pine forest

USGS Publications Warehouse

Chen, X.; Vierling, Lee; Rowell, E.; DeFelice, Tom

2004-01-01

Structural and functional analyses of ecosystems benefit when high accuracy vegetation coverages can be derived over large areas. In this study, we utilize IKONOS, Landsat 7 ETM+, and airborne scanning light detection and ranging (lidar) to quantify coniferous forest and understory grass coverages in a ponderosa pine (Pinus ponderosa) dominated ecosystem in the Black Hills of South Dakota. Linear spectral mixture analyses of IKONOS and ETM+ data were used to isolate spectral endmembers (bare soil, understory grass, and tree/shade) and calculate their subpixel fractional coverages. We then compared these endmember cover estimates to similar cover estimates derived from lidar data and field measures. The IKONOS-derived tree/shade fraction was significantly correlated with the field-measured canopy effective leaf area index (LAIe) (r2=0.55, p<0.001) and with the lidar-derived estimate of tree occurrence (r2=0.79, p<0.001). The enhanced vegetation index (EVI) calculated from IKONOS imagery showed a negative correlation with the field measured tree canopy effective LAI and lidar tree cover response (r2=0.30, r=−0.55 and r2=0.41, r=−0.64, respectively; p<0.001) and further analyses indicate a strong linear relationship between EVI and the IKONOS-derived grass fraction (r2=0.99, p<0.001). We also found that using EVI resulted in better agreement with the subpixel vegetation fractions in this ecosystem than using normalized difference of vegetation index (NDVI). Coarsening the IKONOS data to 30 m resolution imagery revealed a stronger relationship with lidar tree measures (r2=0.77, p<0.001) than at 4 m resolution (r2=0.58, p<0.001). Unmixed tree/shade fractions derived from 30 m resolution ETM+ imagery also showed a significant correlation with the lidar data (r2=0.66, p<0.001). These results demonstrate the power of using high resolution lidar data to validate spectral unmixing results of satellite imagery, and indicate that IKONOS data and Landsat 7 ETM+ data both can serve to make the important distinction between tree/shade coverage and exposed understory grass coverage during peak summertime greenness in a ponderosa pine forest ecosystem.

How much surface coating of hydrophobic azithromycin is sufficient to prevent moisture-induced decrease in aerosolisation of hygroscopic colistin powder?

PubMed Central

Zhou, Qi (Tony); Loh, Zhi Hui; Yu, Jiaqi; Sun, Si-ping; Gengenbach, Thomas; Denman, John A.; Li, Jian; Chan, Hak-Kim

2017-01-01

Aerosolisation performance of hygroscopic particles of colistin could be compromised at elevated humidity due to increased capillary forces. Co-spray drying colistin with a hydrophobic drug is known to provide a protective coating on the composite particle surfaces against moisture-induced reduction in aerosolisation performance; however, the effects of component ratio on surface coating quality and powder aerosolisation at elevated relative humidities are unknown. In this study, we have systematically examined the effects of mass ratio of hydrophobic azithromycin on surface coating quality and aerosolisation performance of the co-spray dried composite particles. Four combination formulations with varying drug ratios were prepared by co-spray drying drug solutions. Both of the drugs in each combination formulation had similar in vitro deposition profiles, suggesting that each composite particle comprise two drugs in the designed mass ratio, which is supported by XPS and ToF-SIMS data. XPS and ToF-SIMS measurements also revealed that 50 % by weight (or 35 % by molecular fraction) of azithromycin in the formulation provided a near-complete coating of 96.5 % (molar fraction) on the composite particle surface, which is sufficient to prevent moisture-induced reduction in FPFrecovered and FPFemitted. Higher azithromycin content did not increase coating coverage, while contents of azithromycin lower than 20 %w/w did not totally prevent the negative effects of humidity on aerosolisation performance. This study has highlighted that a critical amount of azithromycin is required to sufficiently coat the colistin particles for short-term protection against moisture. PMID:27255350

Partitioning of water between surface and mantle on terrestrial exoplanets: effect of surface-mantle water exchange parameterizations on ocean depth

NASA Astrophysics Data System (ADS)

Komacek, T. D.; Abbot, D. S.

2016-12-01

Terrestrial exoplanets in the canonical habitable zone may have a variety of initial water fractions due to their volatile delivery rate via planetesimals. If the total planetary water complement is high, the entire surface may be covered in water, forming a "waterworld". The habitable zone for waterworlds is likely smaller than that for planets with partial land coverage because waterworlds lack the stabilizing silicate-weathering feedback. On a planet with active tectonics, competing mechanisms act to regulate the abundance of water on the surface by determining the partitioning of water between interior and surface. We have explored how the incorporation of different mechanisms for the outgassing and regassing of water changes the volatile evolution of a planet. Specifically, we have examined three models for volatile cycling: a model with degassing and regassing both determined by the seafloor pressure, one with mantle temperature-dependent degassing and regassing rates, and a hybrid model that has the degassing rate driven by seafloor pressure and the regassing rate determined by the mantle temperature. We find that the volatile cycling in all three of these scenarios reaches a steady-state after a few billion years. Using these steady-states, we can make predictions from each model for how much water is needed to flood the surface and make a waterworld. We find that if volatile cycling is either solely temperature-dependent or pressure-dependent, exoplanets require a high abundance (more than 0.3% by mass) of water to have fully inundated surfaces. This is because the waterworld boundary for these models is regulated by how much water can be stuffed into the mantle. However, if degassing is more dependent on the seafloor pressure and regassing mainly dependent on mantle temperature, super-Earth mass planets with a total water fraction similar to that of the Earth (approximately 0.05% by mass) can become waterworlds. As a result, further understanding of the processes that drive volatile cycling on terrestrial planets is needed to determine the water fraction at which they are likely to become waterworlds.

Liquid-Vapor Coexistence at a Mesoporous Substrate

NASA Astrophysics Data System (ADS)

Kityk, A. V.; Hofmann, T.; Knorr, K.

2008-01-01

The condensation of hexane vapor onto a mesoporous Si substrate with a pore radius of 3.5 nm has been studied by means of volumetry and ellipsometry. The filling fraction of the pores and the coverage of the substrate have been determined. The coverage of the regime after the completion of capillary condensation has been compared to recent theoretical work.

Estimating regional methane surface fluxes: the relative importance of surface and GOSAT mole fraction measurements

NASA Astrophysics Data System (ADS)

Fraser, A.; Palmer, P. I.; Feng, L.; Boesch, H.; Cogan, A.; Parker, R.; Dlugokencky, E. J.; Fraser, P. J.; Krummel, P. B.; Langenfelds, R. L.; O'Doherty, S.; Prinn, R. G.; Steele, L. P.; van der Schoot, M.; Weiss, R. F.

2013-06-01

We use an ensemble Kalman filter (EnKF), together with the GEOS-Chem chemistry transport model, to estimate regional monthly methane (CH4) fluxes for the period June 2009-December 2010 using proxy dry-air column-averaged mole fractions of methane (XCH4) from GOSAT (Greenhouse gases Observing SATellite) and/or NOAA ESRL (Earth System Research Laboratory) and CSIRO GASLAB (Global Atmospheric Sampling Laboratory) CH4 surface mole fraction measurements. Global posterior estimates using GOSAT and/or surface measurements are between 510-516 Tg yr-1, which is less than, though within the uncertainty of, the prior global flux of 529 ± 25 Tg yr-1. We find larger differences between regional prior and posterior fluxes, with the largest changes in monthly emissions (75 Tg yr-1) occurring in Temperate Eurasia. In non-boreal regions the error reductions for inversions using the GOSAT data are at least three times larger (up to 45%) than if only surface data are assimilated, a reflection of the greater spatial coverage of GOSAT, with the two exceptions of latitudes >60° associated with a data filter and over Europe where the surface network adequately describes fluxes on our model spatial and temporal grid. We use CarbonTracker and GEOS-Chem XCO2 model output to investigate model error on quantifying proxy GOSAT XCH4 (involving model XCO2) and inferring methane flux estimates from surface mole fraction data and show similar resulting fluxes, with differences reflecting initial differences in the proxy value. Using a series of observing system simulation experiments (OSSEs) we characterize the posterior flux error introduced by non-uniform atmospheric sampling by GOSAT. We show that clear-sky measurements can theoretically reproduce fluxes within 10% of true values, with the exception of tropical regions where, due to a large seasonal cycle in the number of measurements because of clouds and aerosols, fluxes are within 15% of true fluxes. We evaluate our posterior methane fluxes by incorporating them into GEOS-Chem and sampling the model at the location and time of surface CH4 measurements from the AGAGE (Advanced Global Atmospheric Gases Experiment) network and column XCH4 measurements from TCCON (Total Carbon Column Observing Network). The posterior fluxes modestly improve the model agreement with AGAGE and TCCON data relative to prior fluxes, with the correlation coefficients (r2) increasing by a mean of 0.04 (range: -0.17 to 0.23) and the biases decreasing by a mean of 0.4 ppb (range: -8.9 to 8.4 ppb).

Estimating regional methane surface fluxes: the relative importance of surface and GOSAT mole fraction measurements

NASA Astrophysics Data System (ADS)

Fraser, A.; Palmer, P. I.; Feng, L.; Boesch, H.; Cogan, A.; Parker, R.; Dlugokencky, E. J.; Fraser, P. J.; Krummel, P. B.; Langenfelds, R. L.; O'Doherty, S.; Prinn, R. G.; Steele, L. P.; van der Schoot, M.; Weiss, R. F.

2012-12-01

We use an ensemble Kalman filter (EnKF), together with the GEOS-Chem chemistry transport model, to estimate regional monthly methane (CH4) fluxes for the period June 2009-December 2010 using proxy dry-air column-averaged mole fractions of methane (XCH4) from GOSAT (Greenhouse gases Observing SATellite) and/or NOAA ESRL (Earth System Research Laboratory) and CSIRO GASLAB (Global Atmospheric Sampling Laboratory) CH4 surface mole fraction measurements. Global posterior estimates using GOSAT and/or surface measurements are between 510-516 Tg yr-1, which is less than, though within the uncertainty of, the prior global flux of 529 ± 25 Tg yr-1. We find larger differences between regional prior and posterior fluxes, with the largest changes (75 Tg yr-1) occurring in Temperate Eurasia. In non-boreal regions the error reductions for inversions using the GOSAT data are at least three times larger (up to 45%) than if only surface data are assimilated, a reflection of the greater spatial coverage of GOSAT, with the two exceptions of latitudes > 60° associated with a data filter and over Europe where the surface network adequately describes fluxes on our model spatial and temporal grid. We use CarbonTracker and GEOS-Chem XCO2 model output to investigate model error on quantifying proxy GOSAT XCH4 (involving model XCO2) and inferring methane flux estimates from surface mole fraction data and show similar resulting fluxes, with differences reflecting initial differences in the proxy value. Using a series of observing system simulation experiments (OSSEs) we characterize the posterior flux error introduced by non-uniform atmospheric sampling by GOSAT. We show that clear-sky measurements can theoretically reproduce fluxes within 5% of true values, with the exception of South Africa and Tropical South America where, due to a large seasonal cycle in the number of measurements because of clouds and aerosols, fluxes are within 17% and 19% of true fluxes, respectively. We evaluate our posterior methane fluxes by incorporating them into GEOS-Chem and sampling the model at the location and time of independent surface CH4 measurements from the AGAGE (Advanced Global Atmospheric Gases Experiment) network and column XCH4 measurements from TCCON (Total Carbon Column Observing Network). The posterior fluxes modestly improve the model agreement with AGAGE and TCCON data relative to prior fluxes, with the correlation coefficients (r2) increasing by a mean of 0.04 (range: -0.17, 0.23) and the biases decreasing by a mean of 0.4 ppb (range: -8.9, 8.4 ppb).

Dissolution of cinnabar (HgS) in the presence of natural organic matter

USGS Publications Warehouse

Waples, J.S.; Nagy, K.L.; Aiken, G.R.; Ryan, J.N.

2005-01-01

Cinnabar (HgS) dissolution rates were measured in the presence of 12 different natural dissolved organic matter (DOM) isolates including humic, fulvic, and hydrophobic acid fractions. Initial dissolution rates varied by 1.3 orders of magnitude, from 2.31 ?? 10-13 to 7.16 ?? 10-12 mol Hg (mg C)-1 m-2 s-1. Rates correlate positively with three DOM characteristics: specific ultraviolet absorbance (R2 = 0.88), aromaticity (R2 = 0.80), and molecular weight (R2 = 0.76). Three experimental observations demonstrate that dissolution was controlled by the interaction of DOM with the cinnabar surface: (1) linear rates of Hg release with time, (2) significantly reduced rates when DOM was physically separated from the surface by dialysis membranes, and (3) rates that approached constant values at a specific ratio of DOM concentration to cinnabar surface area, suggesting a maximum surface coverage by dissolution-reactive DOM. Dissolution rates for the hydrophobic acid fractions correlate negatively with sorbed DOM concentrations, indicating the presence of a DOM component that reduced the surface area of cinnabar that can be dissolved. When two hydrophobic acid isolates that enhanced dissolution to different extents were mixed equally, a 20% reduction in rate occurred compared to the rate with the more dissolution-enhancing isolate alone. Rates in the presence of the more dissolution-enhancing isolate were reduced by as much as 60% when cinnabar was prereacted with the isolate that enhanced dissolution to a lesser extent. The data, taken together, imply that the property of DOM that enhances cinnabar dissolution is distinct from the property that causes it to sorb irreversibly to the cinnabar surface. Copyright ?? 2005 Elsevier Ltd.

SU-F-19A-12: Split-Ring Applicator with Interstitial Needle for Improved Volumetric Coverage in HDR Brachytherapy for Cervical Cancer

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

Sherertz, T; Ellis, R; Colussi, V

2014-06-15

Purpose: To evaluate volumetric coverage of a Mick Radionuclear titanium Split-Ring applicator (SRA) with/without interstitial needle compared to an intracavitary Vienna applicator (VA), interstitial-intracavitary VA, and intracavitary ring and tandem applicator (RTA). Methods: A 57 year-old female with FIGO stage IIB cervical carcinoma was treated following chemoradiotherapy (45Gy pelvic and 5.4Gy parametrial boost) with highdose- rate (HDR) brachytherapy to 30Gy in 5 fractions using a SRA. A single interstitial needle was placed using the Ellis Interstitial Cap for the final three fractions to increase coverage of left-sided gross residual disease identified on 3T-MRI. High-risk (HR) clinical target volume (CTV) andmore » intermediate-risk (IR) CTV were defined using axial T2-weighted 2D and 3D MRI sequences (Philips PET/MRI unit). Organs-at-risks (OARs) were delineated on CT. Oncentra planning system was used for treatment optimization satisfying GEC-ESTRO guidelines for target coverage and OAR constraints. Retrospectively, treatment plans (additional 20 plans) were simulated using intracavitary SRA (without needle), intracavitary VA (without needle), interstitial-intracavitary VA, and intracavitary RTA with this same patient case. Plans were optimized for each fraction to maintain coverage to HR-CTV. Results: Interstitial-intracavitary SRA achieved the following combined coverage for external radiation and brachytherapy (EQD2): D90 HR-CTV =94.6Gy; Bladder-2cc =88.9Gy; Rectum-2cc =65.1Gy; Sigmoid-2cc =48.9Gy; Left vaginal wall (VW) =103Gy, Right VW =99.2Gy. Interstitial-intracavitary VA was able to achieve identical D90 HR-CTV =94.6Gy, yet Bladder-2cc =91.9Gy (exceeding GEC-ESTRO recommendations of 2cc<90Gy) and Left VW =120.8Gy and Right VW =115.5Gy. Neither the SRA nor VA without interstitial needle could cover HR-CTV adequately without exceeding dose to Bladder-2cc. Conventional RTA was unable to achieve target coverage for the HR-CTV >80Gy without severely overdosing OARs. Conclusion: The Ellis Interstitial Cap for the SRA offered superior dosimetric coverage as compared to the interstitialintracavitary VA. This represents the first reported use for this devise, and further investigation is warranted.« less

Surface diffusion of In on Ge(111) studied by optical second harmonic microscopy

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

Suni, I.I.; Seebauer, E.G.

Surface diffusion of In on Ge(111) has been measured by optical second harmonic microscopy. This technique employs surface second harmonic generation to directly image submonolayer surface concentration profiles. The coverage dependence of the diffusivity [ital D] can then be obtained from a Boltzmann--Matano analysis. In the coverage range 0.1[lt][theta][lt]0.48, the activation energy [ital E][sub diff] decreased with increasing coverage, ranging from 31 kcal/mol at [theta]=0.1 to 23 kcal/mol at [theta]=0.48. Over the same coverage range, the pre-exponential factor [ital D][sub 0] decreased from 5[times]10[sup 2] to 1[times]10[sup [minus]1] cm[sup 2]/s. This gradual change reflects a change in diffusion mechanism arisingmore » from the disordered nature of the Ge(111) surface. At low coverages, In adatoms sink into the top layer of Ge, and diffusion is dominated by thermal formation of adatom-vacancy pairs. At high coverages, diffusion occurs by normal site-to-site hopping. The gradual change in diffusion parameters with coverage was interrupted by an apparent phase transition at [theta]=0.16. At this point, both [ital E][sub diff] and [ital D][sub 0] peaked sharply at 41 kcal/mol and 6[times]10[sup 5] cm[sup 2]/s, respectively. The desorption energy [ital E][sub des] was measured by temperature programmed desorption. [ital E][sub des] decreased from 60 kcal/mol at submonolayer coverages to 55 kcal/mol at multilayer coverages.« less

Irreversible adsorption of particles on heterogeneous surfaces.

PubMed

Adamczyk, Zbigniew; Jaszczółt, Katarzyna; Michna, Aneta; Siwek, Barbara; Szyk-Warszyńska, Lilianna; Zembala, Maria

2005-12-30

Methods of theoretical and experimental evaluation of irreversible adsorption of particles, e.g., colloids and globular proteins at heterogeneous surfaces were reviewed. The theoretical models were based on the generalized random sequential adsorption (RSA) approach. Within the scope of these models, localized adsorption of particles occurring as a result of short-ranged attractive interactions with discrete adsorption sites was analyzed. Monte-Carlo type simulations performed according to this model enabled one to determine the initial flux, adsorption kinetics, jamming coverage and the structure of the particle monolayer as a function of the site coverage and the particle/site size ratio, denoted by lambda. It was revealed that the initial flux increased significantly with the site coverage theta(s) and the lambda parameter. This behavior was quantitatively interpreted in terms of the scaled particle theory. It also was demonstrated that particle adsorption kinetics and the jamming coverage increased significantly, at fixed site coverage, when the lambda parameter increased. Practically, for alpha = lambda2theta(s) > 1 the jamming coverage at the heterogeneous surfaces attained the value pertinent to continuous surfaces. The results obtained prove unequivocally that spherically shaped sites were more efficient in binding particles in comparison with disk-shaped sites. It also was predicted that for particle size ratio lambda < 4 the site multiplicity effect plays a dominant role, affecting significantly the structure of particle monolayers and the jamming coverage. Experimental results validating main aspects of these theoretical predictions also have been reviewed. These results were derived by using monodisperse latex particles adsorbing on substrates produced by covering uniform surface by adsorption sites of a desired size, coverage and surface charge. Particle deposition occurred under diffusion-controlled transport conditions and their coverage was evaluated by direct particle counting using the optical and electron microscopy. Adsorption kinetics was quantitatively interpreted in terms of numerical solutions of the governing diffusion equation with the non-linear boundary condition derived from Monte-Carlo simulations. It was proven that for site coverage as low as a few percent the initial flux at heterogeneous surfaces attained the maximum value pertinent to homogeneous surfaces. It also was demonstrated that the structure of larger particle monolayers, characterized in terms of the pair correlation function, showed much more short-range ordering than predicted for homogeneous surface monolayers at the same coverage. The last part of this review was devoted to detection of polyelectrolyte multilayers on various substrates via particle deposition experiments.

Urbanization reduces and homogenizes trait diversity in stream macroinvertebrate communities.

PubMed

Barnum, Thomas R; Weller, Donald E; Williams, Meghan

2017-12-01

More than one-half of the world's population lives in urban areas, so quantifying the effects of urbanization on ecological communities is important for understanding whether anthropogenic stressors homogenize communities across environmental and climatic gradients. We examined the relationship of impervious surface coverage (a marker of urbanization) and the structure of stream macroinvertebrate communities across the state of Maryland and within each of Maryland's three ecoregions: Coastal Plain, Piedmont, and Appalachian, which differ in stream geomorphology and community composition. We considered three levels of trait organization: individual traits, unique combinations of traits, and community metrics (functional richness, functional evenness, and functional divergence) and three levels of impervious surface coverage (low [<2.5%], medium [2.5% to 10%], and high [>10%]). The prevalence of an individual trait differed very little between low impervious surface and high impervious surface sites. The arrangement of trait combinations in community trait space for each ecoregion differed when impervious surface coverage was low, but the arrangement became more similar among ecoregions as impervious surface coverage increased. Furthermore, trait combinations that occurred only at low or medium impervious surface coverage were clustered in a subset of the community trait space, indicating that impervious surface affected the presence of only a subset of trait combinations. Functional richness declined with increasing impervious surface, providing evidence for environmental filtering. Community metrics that include abundance were also sensitive to increasing impervious surface coverage: functional divergence decreased while functional evenness increased. These changes demonstrate that increasing impervious surface coverage homogenizes the trait diversity of macroinvertebrate communities in streams, despite differences in initial community composition and stream geomorphology among ecoregions. Community metrics were also more sensitive to changes in the abundance rather than the gain or loss of trait combinations, showing the potential for trait-based approaches to serve as early warning indicators of environmental stress for monitoring and biological assessment programs. © 2017 by the Ecological Society of America.

Low-coverage surface diffusion in complex periodic energy landscapes: Analytical solution for systems with symmetric hops and application to intercalation in topological insulators

NASA Astrophysics Data System (ADS)

Gosálvez, Miguel A.; Otrokov, Mikhail M.; Ferrando, Nestor; Ryabishchenkova, Anastasia G.; Ayuela, Andres; Echenique, Pedro M.; Chulkov, Evgueni V.

2016-02-01

This is the first of two papers that introduce a general expression for the tracer diffusivity in complex, periodic energy landscapes with M distinct hop rates in one-, two-, and three-dimensional diluted systems (low-coverage, single-tracer limit). The present report focuses on the analysis of diffusion in systems where the end sites of the hops are located symmetrically with respect to the hop origins (symmetric hops), as encountered in many ideal surfaces and bulk materials. For diffusion in two dimensions, a number of formulas are presented for complex combinations of the different hops in systems with triangular, rectangular, and square symmetry. The formulas provide values in excellent agreement with kinetic Monte Carlo simulations, concluding that the diffusion coefficient can be directly determined from the proposed expressions without performing the simulations. Based on the diffusion barriers obtained from first-principles calculations and a physically meaningful estimate of the attempt frequencies, the proposed formulas are used to analyze the diffusion of Cu, Ag, and Rb adatoms on the surface and within the van der Waals (vdW) gap of a model topological insulator, Bi2Se3 . Considering the possibility of adsorbate intercalation from the terraces to the vdW gaps at morphological steps, we infer that, at low coverage and room temperature, (i) a majority of the Rb atoms bounce back at the steps and remain on the terraces, (ii) Cu atoms mostly intercalate into the vdW gap, the remaining fraction staying at the steps, and (iii) Ag atoms essentially accumulate at the steps and gradually intercalate into the vdW gap. These conclusions are in good qualitative agreement with previous experiments. The companion report (M. A. Gosálvez et al., Phys. Rev. B, submitted] extends the present study to the description of systems that contain asymmetric hops.

Wireless Metal Detection and Surface Coverage Sensing for All-Surface Induction Heating

PubMed Central

Kilic, Veli Tayfun; Unal, Emre; Demir, Hilmi Volkan

2016-01-01

All-surface induction heating systems, typically comprising small-area coils, face a major challenge in detecting the presence of a metallic vessel and identifying its partial surface coverage over the coils to determine which of the coils to power up. The difficulty arises due to the fact that the user can heat vessels made of a wide variety of metals (and their alloys). To address this problem, we propose and demonstrate a new wireless detection methodology that allows for detecting the presence of metallic vessels together with uniquely sensing their surface coverages while also identifying their effective material type in all-surface induction heating systems. The proposed method is based on telemetrically measuring simultaneously inductance and resistance of the induction coil coupled with the vessel in the heating system. Here, variations in the inductance and resistance values for an all-surface heating coil loaded by vessels (made of stainless steel and aluminum) at different positions were systematically investigated at different frequencies. Results show that, independent of the metal material type, unique identification of the surface coverage is possible at all freqeuncies. Additionally, using the magnitude and phase information extracted from the coupled coil impedance, unique identification of the vessel effective material is also achievable, this time independent of its surface coverage. PMID:26978367

Analytical methodologies for broad metabolite coverage of exhaled breath condensate.

PubMed

Aksenov, Alexander A; Zamuruyev, Konstantin O; Pasamontes, Alberto; Brown, Joshua F; Schivo, Michael; Foutouhi, Soraya; Weimer, Bart C; Kenyon, Nicholas J; Davis, Cristina E

2017-09-01

Breath analysis has been gaining popularity as a non-invasive technique that is amenable to a broad range of medical uses. One of the persistent problems hampering the wide application of the breath analysis method is measurement variability of metabolite abundances stemming from differences in both sampling and analysis methodologies used in various studies. Mass spectrometry has been a method of choice for comprehensive metabolomic analysis. For the first time in the present study, we juxtapose the most commonly employed mass spectrometry-based analysis methodologies and directly compare the resultant coverages of detected compounds in exhaled breath condensate in order to guide methodology choices for exhaled breath condensate analysis studies. Four methods were explored to broaden the range of measured compounds across both the volatile and non-volatile domain. Liquid phase sampling with polyacrylate Solid-Phase MicroExtraction fiber, liquid phase extraction with a polydimethylsiloxane patch, and headspace sampling using Carboxen/Polydimethylsiloxane Solid-Phase MicroExtraction (SPME) followed by gas chromatography mass spectrometry were tested for the analysis of volatile fraction. Hydrophilic interaction liquid chromatography and reversed-phase chromatography high performance liquid chromatography mass spectrometry were used for analysis of non-volatile fraction. We found that liquid phase breath condensate extraction was notably superior compared to headspace extraction and differences in employed sorbents manifested altered metabolite coverages. The most pronounced effect was substantially enhanced metabolite capture for larger, higher-boiling compounds using polyacrylate SPME liquid phase sampling. The analysis of the non-volatile fraction of breath condensate by hydrophilic and reverse phase high performance liquid chromatography mass spectrometry indicated orthogonal metabolite coverage by these chromatography modes. We found that the metabolite coverage could be enhanced significantly with the use of organic solvent as a device rinse after breath sampling to collect the non-aqueous fraction as opposed to neat breath condensate sample. Here, we show the detected ranges of compounds in each case and provide a practical guide for methodology selection for optimal detection of specific compounds. Copyright © 2017 Elsevier B.V. All rights reserved.

Molecular effective coverage surface area of optical clearing agents for predicting optical clearing potential

NASA Astrophysics Data System (ADS)

Feng, Wei; Ma, Ning; Zhu, Dan

2015-03-01

The improvement of methods for optical clearing agent prediction exerts an important impact on tissue optical clearing technique. The molecular dynamic simulation is one of the most convincing and simplest approaches to predict the optical clearing potential of agents by analyzing the hydrogen bonds, hydrogen bridges and hydrogen bridges type forming between agents and collagen. However, the above analysis methods still suffer from some problem such as analysis of cyclic molecule by reason of molecular conformation. In this study, a molecular effective coverage surface area based on the molecular dynamic simulation was proposed to predict the potential of optical clearing agents. Several typical cyclic molecules, fructose, glucose and chain molecules, sorbitol, xylitol were analyzed by calculating their molecular effective coverage surface area, hydrogen bonds, hydrogen bridges and hydrogen bridges type, respectively. In order to verify this analysis methods, in vitro skin samples optical clearing efficacy were measured after 25 min immersing in the solutions, fructose, glucose, sorbitol and xylitol at concentration of 3.5 M using 1951 USAF resolution test target. The experimental results show accordance with prediction of molecular effective coverage surface area. Further to compare molecular effective coverage surface area with other parameters, it can show that molecular effective coverage surface area has a better performance in predicting OCP of agents.

Automated discovery and construction of surface phase diagrams using machine learning

DOE PAGES

Ulissi, Zachary W.; Singh, Aayush R.; Tsai, Charlie; ...

2016-08-24

Surface phase diagrams are necessary for understanding surface chemistry in electrochemical catalysis, where a range of adsorbates and coverages exist at varying applied potentials. These diagrams are typically constructed using intuition, which risks missing complex coverages and configurations at potentials of interest. More accurate cluster expansion methods are often difficult to implement quickly for new surfaces. We adopt a machine learning approach to rectify both issues. Using a Gaussian process regression model, the free energy of all possible adsorbate coverages for surfaces is predicted for a finite number of adsorption sites. Our result demonstrates a rational, simple, and systematic approachmore » for generating accurate free-energy diagrams with reduced computational resources. Finally, the Pourbaix diagram for the IrO 2(110) surface (with nine coverages from fully hydrogenated to fully oxygenated surfaces) is reconstructed using just 20 electronic structure relaxations, compared to approximately 90 using typical search methods. Similar efficiency is demonstrated for the MoS 2 surface.« less

Time Resolved X-ray Surface Diffraction Study of Surface Transport During Pulsed Laser Deposition of SrTiO_3

NASA Astrophysics Data System (ADS)

Tischler, J. Z.; Larson, B. C.; Eres, Gyula; Rouleau, D. H.; Lowndes, D. H.; Zschack, P.

2003-03-01

Time-resolved, phin-situ, surface x-ray diffraction measurements at the UNICAT beamline at the Advanced Photon Source were used to study the early stages of growth during pulsed laser deposition of SrTiO_3. Crystal truncation rod (CTR) intensity oscillations observed at anti-Bragg positions indicated layer by layer growth in the broad temperature range of 350^oC to 850^oC. The structure of the CTR intensities between laser pulses shows two time scales, a prompt (< 1 msec) response when the laser ablation plume arrives at the substrate followed by a slower ( ˜1-10 sec) intensity response. The fast time scale is attributed to a prompt ˜μ s transfer of newly arrived species to a lower level, and the slower to material transfer delayed by the evolution of small islands. We present analyses of the CTR intensties in terms of the fraction of the deposited material that promptly changes level and the kinetics of the delayed transfer as a function of surface coverage.

Clay fractions from a soil chronosequence after glacier retreat reveal the initial evolution of organo-mineral associations

NASA Astrophysics Data System (ADS)

Dümig, Alexander; Häusler, Werner; Steffens, Markus; Kögel-Knabner, Ingrid

2012-05-01

Interactions between organic and mineral constituents prolong the residence time of organic matter in soils. However, the structural organization and mechanisms of organic coverage on mineral surfaces as well as their development with time are still unclear. We used clay fractions from a soil chronosequence (15, 75 and 120 years) in the foreland of the retreating Damma glacier (Switzerland) and from mature soils outside the proglacial area (>700 and <3000 years) to elucidate the evolution of organo-mineral associations during initial soil formation. The chemical composition of the clay-bound organic matter (OM) was assessed by solid-state 13C NMR spectroscopy while the quantities of amino acids and neutral sugar monomers were determined after acid hydrolysis. The mineral phase was characterized by X-ray diffraction, oxalate extraction, specific surface area by N2 adsorption (BET approach), and cation exchange capacity at pH 7 (CECpH7). The last two methods were applied before and after H2O2 treatment. We found pronounced shifts in quantity and quality of OM during aging of the clay fractions, especially within the first one hundred years of soil formation. The strongly increasing organic carbon (OC) loading of clay-sized particles resulted in decreasing specific surface areas (SSA) of the mineral phases and increasing CECpH7. Thus, OC accumulation was faster than the supply of mineral surfaces and cation exchange capacity was mainly determined by the OC content. Clay-bound OC of the 15-year-old soils showed high proportions of carboxyl C and aromatic C. This may point to remnants of ancient OC which were inherited from the recently exposed glacial till. With increasing age (75 and 120 years), the relative proportions of carboxyl and aromatic C decreased. This was associated with increasing O-alkyl C proportions, whereas accumulation of alkyl C was mainly detected in clay fractions from the mature soils. These findings from solid-state 13C NMR spectroscopy are in line with the increasing amounts of microbial-derived carbohydrates with soil age. The large accumulation of proteins, which was comparable to those of carbohydrates, and the very low C/N ratios of H2O2-resistant OM indicated strong and preferential associations between proteinaceous compounds and mineral surfaces. In the acid soils, poorly crystalline Fe oxides were the main providers of mineral surface area and important for the stabilization of OM during aging of the clay fractions. This was indicated by (I) the strong correlations between oxalate soluble Fe and both, SSA of H2O2-treated clay fractions and OC content, and (II) the low formation of expandable clays due to small extents of mineral weathering. Our chronosequence approach provided new insights into the evolution of organo-mineral interactions in acid soils. The formation of organo-mineral associations started with the sorption of proteinaceous compounds and microbial-derived carbohydrates on mineral surfaces which were mainly provided by ferrihydrite. The sequential accumulation of different organic compounds and the large OC loadings point to multiple accretion of OM in distinct zones or layers during the initial evolution of clay fractions.

Comparative evaluation of electrostatic repulsion-hydrophilic interaction chromatography (ERLIC) and high-pH reversed phase (Hp-RP) chromatography in profiling of rat kidney proteome.

PubMed

Hao, Piliang; Ren, Yan; Dutta, Bamaprasad; Sze, Siu Kwan

2013-04-26

ERLIC and high-pH RP (Hp-RP) have been reported to be promising alternatives to strong cation exchange (SCX) in proteome fractionation. Here we compared the performance of ERLIC, concatenated ERLIC and concatenated Hp-RP in proteome profiling. The protein identification is comparable in these three strategies, but significantly more unique peptides are identified by the two concatenation methods, resulting in a significant increase of the average protein sequence coverage. The pooling of fractions from spaced intervals results in more uniform distribution of peptides in each fraction compared with the chromatogram-based pooling of adjacent fractions. ERLIC fractionates peptides according to their pI and GRAVY values. These properties remains but becomes less remarkable in concatenated ERLIC. In contrast, the average pI and GRAVY values of the peptides are comparable in each fraction in concatenated Hp-RP. ERLIC performs the best in identifying peptides with pI>9 among the three strategies, while concatenated Hp-RP is good at identifying peptides with pI<4. These advantages are useful when either basic or acidic peptides/proteins are analytical targets. The power of ERLIC in identification of basic peptides seems to be due to their efficient separation from acidic peptides. This study facilitates the choice of proper fractionation strategies based on specific objectives. For in-depth proteomic analysis of a cell, tissue and plasma, multidimensional liquid chromatography (MDLC) is still necessary to reduce sample complexity for improving analytical dynamic range and proteome coverage. This work conducts a direct comparison of three promising first-dimensional proteome fractionation methods. They are comparable in identifying proteins, but concatenated ERLIC and concatenated Hp-RP identify significantly more unique peptides than ERLIC. ERLIC is good at analyzing basic peptides, while concatenated Hp-RP performs the best in analyzing acidic peptides with pI<4. This will facilitate the choice of the proper peptide fractionation strategy based on a specific need. A combination of different fractionation strategies can be used to increase the sequence coverage and number of protein identification due to the complementary effect between different methods. Copyright © 2013 Elsevier B.V. All rights reserved.

NOAA Introduces its First-Generation Reference Evapotranspiration Product

NASA Astrophysics Data System (ADS)

Hobbins, M.; Geli, H. M.; Lewis, C.; Senay, G. B.; Verdin, J. P.

2013-12-01

NOAA is producing daily, gridded operational, long-term, reference evapotranspiration (ETo) data for the National Water Census (NWC). The NWC is a congressional mandate to provide water managers with accurate, up-to-date, scientifically defensible reporting on the national water cycle; as such, it requires a high-quality record of actual ET, which we derive as a fraction of NOAA's land-based ETo a fraction determined by remotely sensed (RS) LST and/or surface reflectance in an operational version of the Simplified Surface Energy Balance (SSEBop). This methodology permits mapping of ET on a routine basis with a high degree of consistency at multiple spatial scales. This presentation addresses the ETo input to this process. NOAA's ETo dataset is generated from the American Society of Civil Engineers Standardized Penman-Monteith equation driven by hourly, 0.125-degree (~12-km) data from the North American Land Data Assimilation System (NLDAS). Coverage is CONUS-wide from Jan 1, 1979, to within five days of the present. The ETo is verified against agro-meteorological stations in western CONUS networks, while a first-order, second-moment uncertainty analysis indicates when, where, and to what extent each driver contributes to ETo variability (and so potentially require the most attention). As the NWC's mandate requires a nationwide coverage, the ETo dataset must also be verified outside of the measure's traditional, agricultural/irrigated areas of application. In this presentation, we summarize the verification of the gridded ETo product and demonstrate the drivers of ETo variability in space and time across CONUS. Beyond its primary use as a component of ET in the NWC, we further explore potential uses of the ETo product as an input to drought models and as a stand-alone index of fast-developing agricultural drought, or 'flash drought.' NOAA's product is the first consistently modeled, daily, continent-wide ETo dataset that is both up-to-date and as temporally extensive. When fully operational, the land-based ETo surface will be provided by NOAA from its new National Water Center, while the assimilation with RS data will be conducted at USGS EROS and by cooperators.

Effect of hydrogen coverage on hydrogenation of o-cresol on Pt(111)

NASA Astrophysics Data System (ADS)

Li, Yaping; Liu, Zhimin; Crossley, Steven P.; Jentoft, Friederike C.; Wang, Sanwu

2018-06-01

The conversion of phenolics over metal catalysts is an important process for upgrading biofuels. With density functional calculations, hydrogenation of o-cresol on the hydrogen-covered Pt(111) surface was investigated. The results show that the coverage of hydrogen plays a significant role in the reaction rate while it does not affect the reaction selectivity. The reaction barriers of the hydrogenation process leading to the formation of both 2-methyl-cyclohexanone (the intermediate product) and 2-methyl-cyclohexanol (the final product) at high H coverages (∼1 ML) are found to be smaller by 0.14-0.69 eV than those at lower H coverages (∼1/25 ML). After both hydrogen and cresol are adsorbed on Pt(111) from their initial gas phase state, the reaction energy of each hydrogenation step on the surface is also dependent on the hydrogen coverage. On the H-covered Pt(111) surface, most steps of hydrogenation involve exothermic reactions when the hydrogen coverage is high while they are endothermic reactions at low hydrogen coverages. The differences in reaction rate and reaction energy between high and low H coverages can be understood with the coverage-dependent bonding strength and configurations.

Sharp transition from ripple patterns to a flat surface for ion beam erosion of Si with simultaneous co-deposition of iron

NASA Astrophysics Data System (ADS)

Zhang, K.; Brötzmann, M.; Hofsäss, H.

2012-09-01

We investigate pattern formation on Si by sputter erosion under simultaneous co-deposition of Fe atoms, both at off-normal incidence, as function of the Fe surface coverage. The patterns obtained for 5 keV Xe ion irradiation at 30° incidence angle are analyzed with atomic force microscopy. Rutherford backscattering spectroscopy of the local steady state Fe content of the Fe-Si surface layer allows a quantitative correlation between pattern type and Fe coverage. With increasing Fe coverage the patterns change, starting from a flat surface at low coverage (< 2×1015 Fe/cm2) over dot patterns (2-8×1015 Fe/cm2), ripples patterns (8-17×1015 Fe/cm2), pill bug structures (1.8×1016 Fe/cm2) and a rather flat surface with randomly distributed weak pits at high Fe coverage (>1.8×1016 Fe/cm2). Our results confirm the observations by Macko et al. for 2 keV Kr ion irradiation of Si with Fe co-deposition. In particular, we also find a sharp transition from pronounced ripple patterns with large amplitude (rms roughness ˜ 18 nm) to a rather flat surface (rms roughness ˜ 0.5 nm). Within this transition regime, we also observe the formation of pill bug structures, i.e. individual small hillocks with a rippled structure on an otherwise rather flat surface. The transition occurs within a very narrow regime of the steady state Fe surface coverage between 1.7 and 1.8×1016 Fe/cm2, where the composition of the mixed Fe-Si surface layer of about 10 nm thickness reaches the stoichiometry of FeSi2. Phase separation towards amorphous iron silicide is assumed as the major contribution for the pattern formation at lower Fe coverage and the sharp transition from ripple patterns to a flat surface.

Off-Line Multidimensional Liquid Chromatography and Auto Sampling Result in Sample Loss in LC/LC–MS/MS

PubMed Central

2015-01-01

Large-scale proteomics often employs two orthogonal separation methods to fractionate complex peptide mixtures. Fractionation can involve ion exchange separation coupled to reversed-phase separation or, more recently, two reversed-phase separations performed at different pH values. When multidimensional separations are combined with tandem mass spectrometry for protein identification, the strategy is often referred to as multidimensional protein identification technology (MudPIT). MudPIT has been used in either an automated (online) or manual (offline) format. In this study, we evaluated the performance of different MudPIT strategies by both label-free and tandem mass tag (TMT) isobaric tagging. Our findings revealed that online MudPIT provided more peptide/protein identifications and higher sequence coverage than offline platforms. When employing an off-line fractionation method with direct loading of samples onto the column from an eppendorf tube via a high-pressure device, a 5.3% loss in protein identifications is observed. When off-line fractionated samples are loaded via an autosampler, a 44.5% loss in protein identifications is observed compared with direct loading of samples onto a triphasic capillary column. Moreover, peptide recovery was significantly lower after offline fractionation than in online fractionation. Signal-to-noise (S/N) ratio, however, was not significantly altered between experimental groups. It is likely that offline sample collection results in stochastic peptide loss due to noncovalent adsorption to solid surfaces. Therefore, the use of the offline approaches should be considered carefully when processing minute quantities of valuable samples. PMID:25040086

Theoretical aspects of studies of high coverage oxidation of the Cu(100) surface using low energy positrons

NASA Astrophysics Data System (ADS)

Fazleev, N. G.; Maddox, W. B.; Reed, J. A.

2011-03-01

The study of adsorption of oxygen on transition metal surface is important for the understanding of oxidation, heterogeneous catalysis, and metal corrosion. The structures formed on transition metal surfaces vary from simple adlayers of chemisorbed oxygen to more complex structures which results from diffusion of oxygen into the sub-surface regions. In this work we present the results of an ab-initio investigation of positron surface and bulk states and annihilation probabilities of surface-trapped positrons with relevant core electrons at the Cu(100) missing row reconstructed surface under conditions of high oxygen coverage. Calculations are performed for various surface and subsurface oxygen coverages ranging from 0.50 to 1.50 monolayers. Calculations are also performed for the on-surface adsorption of oxygen on the unreconstructed Cu(001) surface for coverages up to one monolayer to use for comparison. Estimates of the positron binding energy, positron work function, and annihilation characteristics reveal their sensitivity to atomic structure of the topmost layers of the surface and charge transfer. Theoretical results are compared with experimental data obtained from studies of oxidation of the Cu(100) surface using positron annihilation induced Auger electron spectroscopy.

Discrete Fractional Component Monte Carlo Simulation Study of Dilute Nonionic Surfactants at the Air-Water Interface.

PubMed

Yoo, Brian; Marin-Rimoldi, Eliseo; Mullen, Ryan Gotchy; Jusufi, Arben; Maginn, Edward J

2017-09-26

We present a newly developed Monte Carlo scheme to predict bulk surfactant concentrations and surface tensions at the air-water interface for various surfactant interfacial coverages. Since the concentration regimes of these systems of interest are typically very dilute (≪10 -5 mol. frac.), Monte Carlo simulations with the use of insertion/deletion moves can provide the ability to overcome finite system size limitations that often prohibit the use of modern molecular simulation techniques. In performing these simulations, we use the discrete fractional component Monte Carlo (DFCMC) method in the Gibbs ensemble framework, which allows us to separate the bulk and air-water interface into two separate boxes and efficiently swap tetraethylene glycol surfactants C 10 E 4 between boxes. Combining this move with preferential translations, volume biased insertions, and Wang-Landau biasing vastly enhances sampling and helps overcome the classical "insertion problem", often encountered in non-lattice Monte Carlo simulations. We demonstrate that this methodology is both consistent with the original molecular thermodynamic theory (MTT) of Blankschtein and co-workers, as well as their recently modified theory (MD/MTT), which incorporates the results of surfactant infinite dilution transfer free energies and surface tension calculations obtained from molecular dynamics simulations.

First stages of oxide growth on Al(1 1 0) and core-level shifts from density functional theory calculations

NASA Astrophysics Data System (ADS)

Lousada, Cláudio M.; Korzhavyi, Pavel A.

2018-05-01

The formation of islands of O-atoms is the dominant mode of growth of the oxide in the first stages of oxidation of Al(1 1 1). It is however unknown if a similar mechanism exists for other low index surfaces of Al. We performed a density functional theory (DFT) and ab initio molecular dynamics investigation of the first stages of the oxidation of Al(1 1 0) using two distinct models: a homogeneous surface disposition of O-atoms; and a model where the O-atoms are close-spaced forming clusters or islands. We investigated the surface reactions with oxygen up to a coverage of 2 ML and found that for both models the adsorption energy per dissociating O2(g) becomes more negative with increasing coverage. Our results show that for coverages up to 1.25 ML the oxide forms clusters or islands while for coverages higher than 1.5 ML the oxide covers the surface homogeneously. This is because the O-atoms bind preferably to neighboring sites even at the minimum coverage. With increasing coverage, the clusters of O start to form stripes along the [1 1 bar 0] direction. The work function (ϕ) of the surface decreases when going from bare Al(1 1 0) to up to 1 ML coverage of O-atoms, but for coverages of 1.25 ML and higher, ϕ increases. The Al 2p surface core level shifts (SCLS) shift towards higher binding energies with increasing surface coverage of O-atoms and start to approach the values of Al 2p in Al2O3 already at a coverage of 2ML. A relation between the SCLS and the coordination number of Al to O-atoms was made. The Al 2p SCLS increases with increasing coordination to O-atoms, for single, twofold and three-fourfold coordinated cations. For the O-atoms that terminate the surface at the short-bridge sites, the SCLS of O 1s, is largely affected by the proximity to other O-atoms. These results demonstrate that the cooperative effects between surface bound O-atoms have important roles in the mechanism of growth of the oxide at Al(1 1 0), and similarly to what happens for Al(1 1 1), the initial oxidation of Al(1 1 0) proceeds via the formation of islands of O-atoms.

Coverage Dependent Charge Reduction of Cationic Gold Clusters on Surfaces Prepared Using Soft Landing of Mass-selected Ions

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

Johnson, Grant E.; Priest, Thomas A.; Laskin, Julia

2012-11-29

The ionic charge state of monodisperse cationic gold clusters on surfaces may be controlled by selecting the coverage of mass-selected ions soft landed onto a substrate. Polydisperse diphosphine-capped gold clusters were synthesized in solution by reduction of chloro(triphenylphosphine)gold(I) with borane tert-butylamine in the presence of 1,3-bis(diphenylphosphino)propane. The polydisperse gold clusters were introduced into the gas phase by electrospray ionization and mass selection was employed to select a multiply charged cationic cluster species (Au11L53+, m/z = 1409, L = 1,3-bis(diphenylphosphino)propane) which was delivered to the surfaces of four different self-assembled monolayers on gold (SAMs) at coverages of 1011 and 1012 clusters/mm2.more » Employing the spatial profiling capabilities of in-situ time-of-flight secondary ion mass spectrometry (TOF-SIMS) it is shown that, in addition to the chemical functionality of the monolayer (as demonstrated previously: ACS Nano, 2012, 6, 573) the coverage of cationic gold clusters on the surface may be used to control the distribution of ionic charge states of the soft-landed multiply charged clusters. In the case of a 1H,1H,2H,2H-perfluorodecanethiol SAM (FSAM) almost complete retention of charge by the deposited Au11L53+ clusters was observed at a lower coverage of 1011 clusters/mm2. In contrast, at a higher coverage of 1012 clusters/mm2, pronounced reduction of charge to Au11L52+ and Au11L5+ was observed on the FSAM. When soft landed onto 16- and 11-mercaptohexadecanoic acid surfaces on gold (16,11-COOH-SAMs), the mass-selected Au11L53+ clusters exhibited partial reduction of charge to Au11L52+ at lower coverage and additional reduction of charge to both Au11L52+ and Au11L5+ at higher coverage. The reduction of charge was found to be more pronounced on the surface of the shorter (thinner) C11 than the longer (thicker) C16-COOH-SAM. On the surface of the 1-dodecanethiol (HSAM) monolayer, the most abundant charge state was found to be Au11L52+ at lower coverage and Au11L5+ at higher coverage, respectively. A coverage-dependent electron tunneling mechanism is proposed to account for the observed reduction of charge of mass-selected multiply charged gold clusters soft landed on SAMs. The results demonstrate that one of the critical parameters that influence the chemical and physical properties of supported metal clusters, ionic charge state, may be controlled by selecting the coverage of charged species soft landed onto surfaces.« less

[Runoff loss of soil mineral nitrogen and its relationship with grass coverage on Loess slope land].

PubMed

Zhang, Yali; Li, Huai'en; Zhang, Xingchang; Xiao, Bo

2006-12-01

In a simulated rainfall experiment on Loess slope land, this paper determined the rainfall, surface runoff and the effective depth of interaction (EDI) between rainfall and soil mineral nitrogen, and studied the effects of grass coverage on the EDI and the runoff loss of soil mineral nitrogen. The results showed that with the increase of EDI, soil nitrogen in deeper layers could be released into surface runoff through dissolution and desorption. The higher the grass coverage, the deeper the EDI was. Grass coverage promoted the interaction between surface runoff and surface soil. On the slope land with 60%, 80% and 100% of grass coverage, the mean content of runoff mineral nitrogen increased by 34.52%, 32.67% and 6.00%, while surface runoff decreased by 4.72%, 9.84% and 12.89%, and eroded sediment decreased by 83.55%, 87.11% and 89.01%, respectively, compared with bare slope land. The total runoff loss of soil mineral nitrogen on the lands with 60%, 80%, and 100% of grass coverage was 95.73%, 109.04%, and 84.05% of that on bare land, respectively. Grass cover had dual effects on the surface runoff of soil mineral nitrogen. On one hand, it enhanced the influx of soil mineral nitrogen to surface runoff, and on the other hand, it markedly decreased the runoff, resulting in the decrease of soil mineral nitrogen loss through runoff and sediment. These two distinct factors codetermined the total runoff loss of soil mineral nitrogen.

Vegetation Coverage and Impervious Surface Area Estimated Based on the Estarfm Model and Remote Sensing Monitoring

NASA Astrophysics Data System (ADS)

Hu, Rongming; Wang, Shu; Guo, Jiao; Guo, Liankun

2018-04-01

Impervious surface area and vegetation coverage are important biophysical indicators of urban surface features which can be derived from medium-resolution images. However, remote sensing data obtained by a single sensor are easily affected by many factors such as weather conditions, and the spatial and temporal resolution can not meet the needs for soil erosion estimation. Therefore, the integrated multi-source remote sensing data are needed to carry out high spatio-temporal resolution vegetation coverage estimation. Two spatial and temporal vegetation coverage data and impervious data were obtained from MODIS and Landsat 8 remote sensing images. Based on the Enhanced Spatial and Temporal Adaptive Reflectance Fusion Model (ESTARFM), the vegetation coverage data of two scales were fused and the data of vegetation coverage fusion (ESTARFM FVC) and impervious layer with high spatiotemporal resolution (30 m, 8 day) were obtained. On this basis, the spatial variability of the seepage-free surface and the vegetation cover landscape in the study area was measured by means of statistics and spatial autocorrelation analysis. The results showed that: 1) ESTARFM FVC and impermeable surface have higher accuracy and can characterize the characteristics of the biophysical components covered by the earth's surface; 2) The average impervious surface proportion and the spatial configuration of each area are different, which are affected by natural conditions and urbanization. In the urban area of Xi'an, which has typical characteristics of spontaneous urbanization, landscapes are fragmented and have less spatial dependence.

Whole Brain Irradiation With Hippocampal Sparing and Dose Escalation on Multiple Brain Metastases: A Planning Study on Treatment Concepts

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

Prokic, Vesna, E-mail: vesna.prokic@uniklinik-freiburg.de; Wiedenmann, Nicole; Fels, Franziska

2013-01-01

Purpose: To develop a new treatment planning strategy in patients with multiple brain metastases. The goal was to perform whole brain irradiation (WBI) with hippocampal sparing and dose escalation on multiple brain metastases. Two treatment concepts were investigated: simultaneously integrated boost (SIB) and WBI followed by stereotactic fractionated radiation therapy sequential concept (SC). Methods and Materials: Treatment plans for both concepts were calculated for 10 patients with 2-8 brain metastases using volumetric modulated arc therapy. In the SIB concept, the prescribed dose was 30 Gy in 12 fractions to the whole brain and 51 Gy in 12 fractions to individualmore » brain metastases. In the SC concept, the prescription was 30 Gy in 12 fractions to the whole brain followed by 18 Gy in 2 fractions to brain metastases. All plans were optimized for dose coverage of whole brain and lesions, simultaneously minimizing dose to the hippocampus. The treatment plans were evaluated on target coverage, homogeneity, and minimal dose to the hippocampus and organs at risk. Results: The SIB concept enabled more successful sparing of the hippocampus; the mean dose to the hippocampus was 7.55 {+-} 0.62 Gy and 6.29 {+-} 0.62 Gy, respectively, when 5-mm and 10-mm avoidance regions around the hippocampus were used, normalized to 2-Gy fractions. In the SC concept, the mean dose to hippocampus was 9.8 {+-} 1.75 Gy. The mean dose to the whole brain (excluding metastases) was 33.2 {+-} 0.7 Gy and 32.7 {+-} 0.96 Gy, respectively, in the SIB concept, for 5-mm and 10-mm hippocampus avoidance regions, and 37.23 {+-} 1.42 Gy in SC. Conclusions: Both concepts, SIB and SC, were able to achieve adequate whole brain coverage and radiosurgery-equivalent dose distributions to individual brain metastases. The SIB technique achieved better sparing of the hippocampus, especially when a10-mm hippocampal avoidance region was used.« less

Coverage-dependent adsorption and desorption of oxygen on Pd(100)

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

Dunnen, Angela den; Jacobse, Leon; Wiegman, Sandra

2016-06-28

We have studied the adsorption and desorption of O{sub 2} on Pd(100) by supersonic molecular beam techniques and thermal desorption spectroscopy. Adsorption measurements on the bare surface confirm that O{sub 2} initially dissociates for all kinetic energies between 56 and 380 meV and surface temperatures between 100 and 600 K via a direct mechanism. At and below 150 K, continued adsorption leads to a combined O/O{sub 2} overlayer. Dissociation of molecularly bound O{sub 2} during a subsequent temperature ramp leads to unexpected high atomic oxygen coverages, which are also obtained at high incident energy and high surface temperature. At intermediatemore » temperatures and energies, these high final coverages are not obtained. Our results show that kinetic energy of the gas phase reactant and reaction energy dissipated during O{sub 2} dissociation on the cold surface both enable activated nucleation of high-coverage surface structures. We suggest that excitation of local substrate phonons may play a crucial role in oxygen dissociation at any coverage.« less

Coverage dependent molecular assembly of anthraquinone on Au(111)

NASA Astrophysics Data System (ADS)

DeLoach, Andrew S.; Conrad, Brad R.; Einstein, T. L.; Dougherty, Daniel B.

2017-11-01

A scanning tunneling microscopy study of anthraquinone (AQ) on the Au(111) surface shows that the molecules self-assemble into several structures depending on the local surface coverage. At high coverages, a close-packed saturated monolayer is observed, while at low coverages, mobile surface molecules coexist with stable chiral hexamer clusters. At intermediate coverages, a disordered 2D porous network interlinking close-packed islands is observed in contrast to the giant honeycomb networks observed for the same molecule on Cu(111). This difference verifies the predicted extreme sensitivity [J. Wyrick et al., Nano Lett. 11, 2944 (2011)] of the pore network to small changes in the surface electronic structure. Quantitative analysis of the 2D pore network reveals that the areas of the vacancy islands are distributed log-normally. Log-normal distributions are typically associated with the product of random variables (multiplicative noise), and we propose that the distribution of pore sizes for AQ on Au(111) originates from random linear rate constants for molecules to either desorb from the surface or detach from the region of a nucleated pore.

Coverage dependent molecular assembly of anthraquinone on Au(111).

PubMed

DeLoach, Andrew S; Conrad, Brad R; Einstein, T L; Dougherty, Daniel B

2017-11-14

A scanning tunneling microscopy study of anthraquinone (AQ) on the Au(111) surface shows that the molecules self-assemble into several structures depending on the local surface coverage. At high coverages, a close-packed saturated monolayer is observed, while at low coverages, mobile surface molecules coexist with stable chiral hexamer clusters. At intermediate coverages, a disordered 2D porous network interlinking close-packed islands is observed in contrast to the giant honeycomb networks observed for the same molecule on Cu(111). This difference verifies the predicted extreme sensitivity [J. Wyrick et al., Nano Lett. 11, 2944 (2011)] of the pore network to small changes in the surface electronic structure. Quantitative analysis of the 2D pore network reveals that the areas of the vacancy islands are distributed log-normally. Log-normal distributions are typically associated with the product of random variables (multiplicative noise), and we propose that the distribution of pore sizes for AQ on Au(111) originates from random linear rate constants for molecules to either desorb from the surface or detach from the region of a nucleated pore.

SU-F-BRF-12: Investigating Dosimetric Effects of Inter-Fraction Deformation in Lung Cancer Stereotactic Body Radiotherapy (SBRT)

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

Jia, J; Tian, Z; Gu, X

2014-06-15

Purpose: We studied dosimetric effects of inter-fraction deformation in lung stereotactic body radiotherapy (SBRT), in order to investigate the necessity of adaptive re-planning for lung SBRT treatments. Methods: Six lung cancer patients with different treatment fractions were retrospectively investigated. All the patients were immobilized and localized with a stereotactic body frame and were treated under cone-beam CT (CBCT) image guidance at each fraction. We calculated the actual delivered dose of the treatment plan using the up-to-date patient geometry of each fraction, and compared the dose with the intended plan dose to investigate the dosimetric effects of the inter-fraction deformation. Deformablemore » registration was carried out between the treatment planning CT and the CBCT of each fraction to obtain deformed planning CT for more accurate dose calculations of the delivered dose. The extent of the inter-fraction deformation was also evaluated by calculating the dice similarity coefficient between the delineated structures on the planning CT and those on the deformed planning CT. Results: The average dice coefficients for PTV, spinal cord, esophagus were 0.87, 0.83 and 0.69, respectively. The volume of PTV covered by prescription dose was decreased by 23.78% on average for all fractions and all patients. For spinal cord and esophagus, the volumes covered by the constraint dose were increased by 4.57% and 3.83%. The maximum dose was also increased by 4.11% for spinal cord and 4.29% for esophagus. Conclusion: Due to inter-fraction deformation, large deterioration was found in both PTV coverage and OAR sparing, which demonstrated the needs for adaptive re-planning of lung SBRT cases to improve target coverage while reducing radiation dose to nearby normal tissues.« less

Mapping Titan Cloud Coverage

NASA Image and Video Library

2010-09-21

This graphic, constructed from data obtained by NASA Cassini spacecraft, shows the percentage of cloud coverage across the surface of Saturn moon Titan. The color scale from black to yellow signifies no cloud coverage to complete cloud coverage.

Surface preparation for high purity alumina ceramics enabling direct brazing in hydrogen atmospheres

DOEpatents

Cadden, Charles H.; Yang, Nancy Yuan Chi; Hosking, Floyd M.

2001-01-01

The present invention relates to a method for preparing the surface of a high purity alumina ceramic or sapphire specimen that enables direct brazing in a hydrogen atmosphere using an active braze alloy. The present invention also relates to a method for directly brazing a high purity alumina ceramic or sapphire specimen to a ceramic or metal member using this method of surface preparation, and to articles produced by this brazing method. The presence of silicon, in the form of a SiO.sub.2 -containing surface layer, can more than double the tensile bond strength in alumina ceramic joints brazed in a hydrogen atmosphere using an active Au-16Ni-0.75 Mo-1.75V filler metal. A thin silicon coating applied by PVD processing can, after air firing, produce a semi-continuous coverage of the alumina surface with a SiO.sub.2 film. Room temperature tensile strength was found to be proportional to the fraction of air fired surface covered by silicon-containing films. Similarly, the ratio of substrate fracture versus interface separation was also related to the amount of surface silicon present prior to brazing. This process can replace the need to perform a "moly-manganese" metallization step.

Direct observation of individual particle armored bubble interaction, stability, and coalescence dynamics.

PubMed

Tan, Sin-Ying; Ata, Seher; Wanless, Erica J

2013-07-18

The interactions between two individual particle-stabilized bubbles were investigated, in the absence of surfactant, using a combination of coalescence rig and high-speed video camera. This combination allows the visualization of bubble coalescence dynamics which provide information on bubble stability. Experimental data suggested that bubble stability is enhanced by both the adsorption of particles at the interface as indicated by the long induction time and the increase in damping coefficient at high surface coverage. The interaction between an armored bubble and a bare bubble (asymmetric interaction) can be destabilized through the addition of a small amount of salt, which suggested that electrostatic interactions play a significant role in bubble stability. Interestingly, the DLVO theory cannot be used to describe the bubble stability in the case of a symmetric interaction as coalescence was inhibited at 0.1 M KCl in both the absence and presence of particles at the interfaces. Furthermore, bubbles can also be destabilized by increasing the particle hydrophobicity. This behavior is due to thinner liquid films between bubbles and an increase in film drainage rate. The fraction of particles detached from the bubble surface after film rupture was found to be very similar within the range of solution ionic strength, surface coverage, and particle hydrophobicity studied. This lack of dependence implies that the kinetic energy generated by the coalescing bubbles is larger than the attachment energy of the particles and dominates the detachment process. This study illuminates the stability behavior of individual particle-stabilized bubbles and has potential impact on processes which involve their interaction.

Novel color additive for chlorine disinfectants corrects deficiencies in spray surface coverage and wet-contact time and checks for correct chlorine concentration.

PubMed

Tyan, Kevin; Jin, Katherine; Kang, Jason; Kyle, Aaron M

2018-04-18

Bleach sprays suffer from poor surface coverage, dry out before reaching proper contact time, and can be inadvertently over-diluted to ineffective concentrations. Highlight ® , a novel color additive for bleach that fades to indicate elapsed contact time, maintained >99.9% surface coverage over full contact time and checked for correct chlorine concentration. Copyright © 2018 Association for Professionals in Infection Control and Epidemiology, Inc. Published by Elsevier Inc. All rights reserved.

The long-term Global LAnd Surface Satellite (GLASS) product suite and applications

NASA Astrophysics Data System (ADS)

Liang, S.

2015-12-01

Our Earth's environment is experiencing rapid changes due to natural variability and human activities. To monitor, understand and predict environment changes to meet the economic, social and environmental needs, use of long-term high-quality satellite data products is critical. The Global LAnd Surface Satellite (GLASS) product suite, generated at Beijing Normal University, currently includes 12 products, including leaf area index (LAI), broadband shortwave albedo, broadband longwave emissivity, downwelling shortwave radiation and photosynthetically active radiation, land surface skin temperature, longwave net radiation, daytime all-wave net radiation, fraction of absorbed photosynetically active radiation absorbed by green vegetation (FAPAR), fraction of green vegetation coverage, gross primary productivity (GPP), and evapotranspiration (ET). Most products span from 1981-2014. The algorithms for producing these products have been published in the top remote sensing related journals and books. More and more applications have being reported in the scientific literature. The GLASS products are freely available at the Center for Global Change Data Processing and Analysis of Beijing Normal University (http://www.bnu-datacenter.com/), and the University of Maryland Global Land Cover Facility (http://glcf.umd.edu). After briefly introducing the basic characteristics of GLASS products, we will present some applications on the long-term environmental changes detected from GLASS products at both global and local scales. Detailed analysis of regional hotspots, such as Greenland, Tibetan plateau, and northern China, will be emphasized, where environmental changes have been mainly associated with climate warming, drought, land-atmosphere interactions, and human activities.

Effect of Surface Coverage of Gold Nanoparticles on the Refractive Index Sensitivity in Fiber-Optic Nanoplasmonic Sensing.

PubMed

Wu, Wei-Te; Chen, Chien-Hsing; Chiang, Chang-Yue; Chau, Lai-Kwan

2018-05-31

A simple theoretical model was developed to analyze the extinction spectrum of gold nanoparticles (AuNPs) on the fiber core and glass surfaces in order to aid the determination of the surface coverage and surface distribution of the AuNPs on the fiber core surface for sensitivity optimization of the fiber optic particle plasmon resonance (FOPPR) sensor. The extinction spectrum of AuNPs comprises of the interband absorption of AuNPs, non-interacting plasmon resonance (PR) band due to isolated AuNPs, and coupled PR band of interacting AuNPs. When the surface coverage is smaller than 12.2%, the plasmon coupling effect can almost be ignored. This method is also applied to understand the refractive index sensitivity of the FOPPR sensor with respect to the non-interacting PR band and the coupled PR band. In terms of wavelength sensitivity at a surface coverage of 18.6%, the refractive index sensitivity of the coupled PR band (205.5 nm/RIU) is greater than that of the non-interacting PR band (349.1 nm/RIU). In terms of extinction sensitivity, refractive index sensitivity of the coupled PR band (-3.86/RIU) is similar to that of the non-interacting PR band (-3.93/RIU). Both maximum wavelength and extinction sensitivities were found at a surface coverage of 15.2%.

High-order fractional partial differential equation transform for molecular surface construction.

PubMed

Hu, Langhua; Chen, Duan; Wei, Guo-Wei

2013-01-01

Fractional derivative or fractional calculus plays a significant role in theoretical modeling of scientific and engineering problems. However, only relatively low order fractional derivatives are used at present. In general, it is not obvious what role a high fractional derivative can play and how to make use of arbitrarily high-order fractional derivatives. This work introduces arbitrarily high-order fractional partial differential equations (PDEs) to describe fractional hyperdiffusions. The fractional PDEs are constructed via fractional variational principle. A fast fractional Fourier transform (FFFT) is proposed to numerically integrate the high-order fractional PDEs so as to avoid stringent stability constraints in solving high-order evolution PDEs. The proposed high-order fractional PDEs are applied to the surface generation of proteins. We first validate the proposed method with a variety of test examples in two and three-dimensional settings. The impact of high-order fractional derivatives to surface analysis is examined. We also construct fractional PDE transform based on arbitrarily high-order fractional PDEs. We demonstrate that the use of arbitrarily high-order derivatives gives rise to time-frequency localization, the control of the spectral distribution, and the regulation of the spatial resolution in the fractional PDE transform. Consequently, the fractional PDE transform enables the mode decomposition of images, signals, and surfaces. The effect of the propagation time on the quality of resulting molecular surfaces is also studied. Computational efficiency of the present surface generation method is compared with the MSMS approach in Cartesian representation. We further validate the present method by examining some benchmark indicators of macromolecular surfaces, i.e., surface area, surface enclosed volume, surface electrostatic potential and solvation free energy. Extensive numerical experiments and comparison with an established surface model indicate that the proposed high-order fractional PDEs are robust, stable and efficient for biomolecular surface generation.

Molecular dynamics simulation study of the structure of poly(ethylene oxide) brushes on nonpolar surfaces in aqueous solution.

PubMed

Bedrov, Dmitry; Smith, Grant D

2006-07-04

The structure of poly(ethylene oxide) (PEO, M(w) = 526) brushes of various grafting density (sigma) on nonpolar graphite and hydrophobic (oily) surfaces in aqueous solution has been studied using atomistic molecular dynamics simulations. Additionally, the influence of PEO-surface interactions on the brush structure was investigated by systematically reducing the strength of the (dispersion) attraction between PEO and the surfaces. PEO chains were found to adsorb strongly to the graphite surface due primarily to the relative strength of dispersion interactions between PEO and the atomically dense graphite compared to those between water and graphite. For the oily surface, PEO-surface and water-surface dispersion interactions are much weaker, greatly reducing the energetic driving force for PEO adsorption. This reduction is mediated to some extent by a hydrophobic driving force for PEO adsorption on the oily surface. Reduction in the strength of PEO-surface attraction results in reduced adsorption of PEO for both surfaces, with the effect being much greater for the graphite surface where the strong PEO-surface dispersion interactions dominate. At high grafting density (sigma approximately 1/R(g)(2)), the PEO density profiles exhibited classical brush behavior and were largely independent of the strength of the PEO-surface interaction. With decreasing grafting density (sigma < 1/R(g)(2)), coverage of the surface by PEO requires an increasingly large fraction of PEO segments resulting in a strong dependence of the PEO density profile on the nature of the PEO-surface interaction.

Effects of Frothers and Oil at Saltwater–Air Interfaces for Oil Separation: Molecular Dynamics Simulations and Experimental Measurements

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

Chong, Leebyn; Lai, Yungchieh; Gray, McMahan

Separating oil from saltwater is a process relevant to some industries and may be aided by bubble and froth generation. Simulating saltwater–air interfaces adsorbed with surfactants and oil molecules can assist in understanding froth stability to improve separation. Here, combining with surface tension experimental measurements, in this work we employ molecular dynamics with a united-atom force field to linear alkane oil and three surfactant frothers, methyl isobutyl carbinol (MIBC), terpineol, and ethyl glycol butyl ether (EGBE), to investigate their synergistic behaviors for oil separation. The interfacial phenomena were measured for a range of frother surface coverages on saltwater. Density profilesmore » of the hydrophilic and hydrophobic portions of the frothers show an expected orientation of alcohol groups adsorbing to the polar water. A decrease in surface tension with increasing surface coverage of MIBC and terpineol was observed and reflected in experiments where the frother concentration increased. Relations between surface coverage and bulk concentration were observed by comparing the surface tension decreases. Additionally, a range of oil surface coverages was explored when the interface has a thin layer of adsorbed frother molecules. Finally, the obtained results indicate that an increase in surface coverage of oil molecules led to an increase in surface tension for all frother types and the pair correlation functions depicted MIBC and terpineol as having higher distributions with water at closer distances than with oil.« less

Effects of Frothers and Oil at Saltwater–Air Interfaces for Oil Separation: Molecular Dynamics Simulations and Experimental Measurements

DOE PAGES

Chong, Leebyn; Lai, Yungchieh; Gray, McMahan; ...

2017-06-16

Separating oil from saltwater is a process relevant to some industries and may be aided by bubble and froth generation. Simulating saltwater–air interfaces adsorbed with surfactants and oil molecules can assist in understanding froth stability to improve separation. Here, combining with surface tension experimental measurements, in this work we employ molecular dynamics with a united-atom force field to linear alkane oil and three surfactant frothers, methyl isobutyl carbinol (MIBC), terpineol, and ethyl glycol butyl ether (EGBE), to investigate their synergistic behaviors for oil separation. The interfacial phenomena were measured for a range of frother surface coverages on saltwater. Density profilesmore » of the hydrophilic and hydrophobic portions of the frothers show an expected orientation of alcohol groups adsorbing to the polar water. A decrease in surface tension with increasing surface coverage of MIBC and terpineol was observed and reflected in experiments where the frother concentration increased. Relations between surface coverage and bulk concentration were observed by comparing the surface tension decreases. Additionally, a range of oil surface coverages was explored when the interface has a thin layer of adsorbed frother molecules. Finally, the obtained results indicate that an increase in surface coverage of oil molecules led to an increase in surface tension for all frother types and the pair correlation functions depicted MIBC and terpineol as having higher distributions with water at closer distances than with oil.« less

Sharp transition from ripple patterns to a flat surface for ion beam erosion of Si with simultaneous co-deposition of iron

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

Zhang, K.; Broetzmann, M.; Hofsaess, H.

We investigate pattern formation on Si by sputter erosion under simultaneous co-deposition of Fe atoms, both at off-normal incidence, as function of the Fe surface coverage. The patterns obtained for 5 keV Xe ion irradiation at 30 Degree-Sign incidence angle are analyzed with atomic force microscopy. Rutherford backscattering spectroscopy of the local steady state Fe content of the Fe-Si surface layer allows a quantitative correlation between pattern type and Fe coverage. With increasing Fe coverage the patterns change, starting from a flat surface at low coverage (< 2 Multiplication-Sign 10{sup 15} Fe/cm{sup 2}) over dot patterns (2-8 Multiplication-Sign 10{sup 15}more » Fe/cm{sup 2}), ripples patterns (8-17 Multiplication-Sign 10{sup 15} Fe/cm{sup 2}), pill bug structures (1.8 Multiplication-Sign 10{sup 16} Fe/cm{sup 2}) and a rather flat surface with randomly distributed weak pits at high Fe coverage (>1.8 Multiplication-Sign 10{sup 16} Fe/cm{sup 2}). Our results confirm the observations by Macko et al. for 2 keV Kr ion irradiation of Si with Fe co-deposition. In particular, we also find a sharp transition from pronounced ripple patterns with large amplitude (rms roughness {approx} 18 nm) to a rather flat surface (rms roughness {approx} 0.5 nm). Within this transition regime, we also observe the formation of pill bug structures, i.e. individual small hillocks with a rippled structure on an otherwise rather flat surface. The transition occurs within a very narrow regime of the steady state Fe surface coverage between 1.7 and 1.8 Multiplication-Sign 10{sup 16} Fe/cm{sup 2}, where the composition of the mixed Fe-Si surface layer of about 10 nm thickness reaches the stoichiometry of FeSi{sub 2}. Phase separation towards amorphous iron silicide is assumed as the major contribution for the pattern formation at lower Fe coverage and the sharp transition from ripple patterns to a flat surface.« less

Thermodynamics of Alkanethiol Self-Assembled Monolayer Assembly on Pd Surfaces.

PubMed

Kumar, Gaurav; Van Cleve, Timothy; Park, Jiyun; van Duin, Adri; Medlin, J Will; Janik, Michael J

2018-06-05

We investigate the structure and binding energy of alkanethiolate self-assembled monolayers (SAMs) on Pd (111), Pd (100), and Pd (110) facets at different coverages. Dispersion-corrected density functional theory calculations are used to correlate the binding energy of alkanethiolates with alkyl chain length and coverage. The equilibrium coverage of thiolate layers strongly prefers 1/3 monolayer (ML) on the Pd (111) surface. The coverage of thiolates varies with chemical potential on Pd (100) and Pd (110), increasing from 1/3 to 1/2 ML on (100) and from 1/4 to 1/2 ML on (110) as the thiol chemical potential is increased. Higher coverages are driven by attractive dispersion interactions between the extended alkyl chains, such that transitions to higher coverages occur at lower thiol chemical potentials for longer chain thiolates. Stronger adsorption to the Pd (100) surface causes the equilibrium Wulff construction of Pd particles to take on a cubic shape upon saturation with thiols. The binding of H, O, and CO adsorbates is weakened as the thiolate coverage is increased, with saturation coverages causing unfavorable binding of O and CO on Pd (100) and weakened binding on other facets. Temperature-dependent CO diffuse reflectance infrared Fourier transform spectroscopy experiments are used to corroborate the weakened binding of CO in the presence of thiolate SAMs of varying surface density. Preliminary results of multiscale modeling efforts on the Pd-thiol system using a reactive force field, ReaxFF, are also discussed.

Local modification of the surface state properties at dilute coverages: CO/Cu(111)

NASA Astrophysics Data System (ADS)

Zaum, Ch.; Meyer-auf-der-Heide, K. M.; Morgenstern, K.

2018-04-01

We follow the diffusion of CO molecules on Cu(111) by time-lapsed low-temperature scanning tunneling microscopy. The diffusivity of individual CO molecules oscillates with the distance to its nearest neighbor due to the long-range interaction mediated by the surface state electrons. The markedly different wavelengths of the oscillation at a coverage of 0.6% ML as compared to the one at 6% ML coverage correspond to two different wavelengths of the surface state electrons, consistent with a shift of the surface state by 340 meV. This surprisingly large shift as compared to results of averaging methods suggests a local modification of the surface state properties.

Water uptake coefficients and deliquescence of NaCl nanoparticles at atmospheric relative humidities from molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Bahadur, Ranjit; Russell, Lynn M.

2008-09-01

Deliquescence properties of sodium chloride are size dependent for particles smaller than 100 nm. Molecular dynamics (MD) simulations are used to determine deliquescence relative humidity (DRH) for particles in this size range by modeling idealized particles in contact with humid air. Constant humidity conditions are simulated by inclusion of a liquid reservoir of NaCl solution in contact with the vapor phase, which acts as a source of water molecules as uptake by the nanoparticle proceeds. DRH is bounded between the minimum humidity at which sustained water accumulation is observed at the particle surface and the maximum humidity at which water accumulation is not observed. Complete formation of a liquid layer is not observed due to computational limitations. The DRH determined increases with decreasing particle diameter, rising to between 91% and 93% for a 2.2 nm particle and between 81% and 85% for an 11 nm particle, higher than the 75% expected for particles larger than 100 nm. The simulated size dependence of DRH agrees well with predictions from bulk thermodynamic models and appears to converge with measurements for sizes larger than 10 nm. Complete deliquescence of nanoparticles in the 2-11 nm size range requires between 1 and 100 μs, exceeding the available computational resources for this study. Water uptake coefficients are near 0.1 with a negligible contribution from diffusion effects. Planar uptake coefficients decrease from 0.41 to 0.09 with increasing fractional water coverage from 0.002 to 1, showing a linear dependence on the logarithm of the coverage fraction with a slope of -0.08+/-0.01 (representing the effect of solvation). Particle uptake coefficients increase from 0.13 at 11 nm to 0.65 at 2.2 nm, showing a linear dependence on the logarithm of the edge fraction (which is a function of diameter) with a slope of 0.74+/-0.04 (representing larger edge effects in smaller particles).

Natural and pyrogenic humic acids at goethite and natural oxide surfaces interacting with phosphate.

PubMed

Hiemstra, Tjisse; Mia, Shamim; Duhaut, Pierre-Benoît; Molleman, Bastiaan

2013-08-20

Fulvic and humic acids have a large variability in binding to metal (hydr) oxide surfaces and interact differently with oxyanions, as examined here experimentally. Pyrogenic humic acid has been included in our study since it will be released to the environment in the case of large-scale application of biochar, potentially creating Darks Earths or Terra Preta soils. A surface complexation approach has been developed that aims to describe the competitive behavior of natural organic matter (NOM) in soil as well as model systems. Modeling points unexpectedly to a strong change of the molecular conformation of humic acid (HA) with a predominant adsorption in the Stern layer domain at low NOM loading. In soil, mineral oxide surfaces remain efficiently loaded by mineral-protected organic carbon (OC), equivalent with a layer thickness of ≥ ~0.5 nm that represents at least 0.1-1.0% OC, while surface-associated OC may be even three times higher. In natural systems, surface complexation modeling should account for this pervasive NOM coverage. With our charge distribution model for NOM (NOM-CD), the pH-dependent oxyanion competition of the organo-mineral oxide fraction can be described. For pyrogenic HA, a more than 10-fold increase in dissolved phosphate is predicted at long-term applications of biochar or black carbon.

Enhanced surface modification engineering (H, F, Cl, Br, and NO{sub 2}) of CdS nanowires with and without surface dangling bonds

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

Zeng, Yijie; Xing, Huaizhong, E-mail: xinghz@dhu.edu.cn; Lu, Aijiang

2015-08-07

Semiconductor nanowires (NWs) can be applied in gas sensing and cell detection, but the sensing mechanism is not clearly understood. In this study, surface modification effect on the electronic properties of CdS NWs for different diameters with several species (H, F, Cl, Br, and NO{sub 2}) is investigated by first principles calculations. The surface dangling bonds and halogen elements are chosen to represent the environment of the surface. Halogen passivation drastically changes the band gaps due to the strong electronegativity and the energy level of halogen atoms. Density of states analysis indicates that valence band maximum (VBM) of halogen-passivated NWsmore » is formed by the p states of halogen atoms, while VBM of H-passivated NWs is originated from Cd 4d and S 3p orbitals. To illustrate that surface modification can be applied in gas sensing, NO{sub 2}-absorbed NWs with different coverage are calculated. Low coverage of NO{sub 2} introduces a deep p-type dopant-like level, while high coverage introduces a shallow n-type dopant-like level into the band structure. The transformation is due to that at low coverage the adsorption is chemical while at high coverage is physical. These findings might promote the understanding of surface modification effect and the sensing mechanism of NWs as gas sensors.« less

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

Giannone, Richard J.; Wurch, Louie L.; Podar, Mircea

The marine archaeon Nanoarchaeum equitans is dependent on direct physical contact with its host, the hyperthermophile Ignicoccus hospitalis. It is thought that this interaction is membrane-associated, involving a myriad of membrane-anchored proteins; proteomic efforts to better characterize this difficult to analyze interface are paramount to uncovering the mechanism of their association. By extending multienzyme digestion strategies that use sample filtration to recover underdigested proteins for reprocessing/consecutive proteolytic digestion, we applied chymotrypsin to redigest the proteinaceous material left over after initial proteolysis with trypsin of sodium dodecyl sulfate (SDS)-extracted I. hospitalis-N. equitansproteins. We show that proteins with increased hydrophobic character, includingmore » membrane proteins with multiple transmembrane helices, are enriched and recovered in the underdigested fraction. Chymotryptic reprocessing provided significant sequence coverage gains in both soluble and hydrophobic proteins alike, with the latter benefiting more so in terms of membrane protein representation. Moreover, these gains were despite a large proportion of high-quality peptide spectra remaining unassigned in the underdigested fraction suggesting high levels of protein modification on these often surface-exposed proteins. Importantly, these gains were achieved without applying extensive fractionation strategies usually required for thorough characterization of membrane-associated proteins and were facilitated by the generation of a distinct, complementary set of peptides that aid in both the identification and quantitation of this important, under-represented class of proteins.« less

Cloudiness over the Amazon rainforest: Meteorology and thermodynamics

NASA Astrophysics Data System (ADS)

Collow, Allison B. Marquardt; Miller, Mark A.; Trabachino, Lynne C.

2016-07-01

Comprehensive meteorological observations collected during GOAmazon2014/15 using the Atmospheric Radiation Measurement Mobile Facility no. 1 and assimilated observations from the Modern-Era Retrospective Analysis for Research and Applications, Version 2 are used to document the seasonal cycle of cloudiness, thermodynamics, and precipitation above the Amazon rainforest. The reversal of synoptic-scale vertical motions modulates the transition between the wet and dry seasons. Ascending moist air during the wet season originates near the surface of the Atlantic Ocean and is advected into the Amazon rainforest, where it experiences convergence and, ultimately, precipitates. The dry season is characterized by weaker winds and synoptic-scale subsidence with little or no moisture convergence accompanying moisture advection. This combination results in the drying of the midtroposphere during June through October as indicated by a decrease in liquid water path, integrated water, and the vertical profile of water vapor mixing ratio. The vertical profile of cloud fraction exhibits a relatively consistent decline in cloud fraction from the lifting condensation level (LCL) to the freezing level where a minimum is observed, unlike many other tropical regions. Coefficients of determination between the LCL and cloud fractional coverage suggest a relatively robust relationship between the LCL and cloudiness beneath 5 km during the dry season (R2 = 0.42) but a weak relationship during the wet season (0.12).

Strong adsorption of random heteropolymers on protein surfaces

NASA Astrophysics Data System (ADS)

Nguyen, Trung; Qiao, Baofu; Panganiban, Brian; Delre, Christopher; Xu, Ting; Olvera de La Cruz, Monica

Rational design of copolymers for stablizing proteins' functionalities in unfavorable solvents and delivering nanoparticles through organic membranes demands a thorough understanding of how the proteins and colloids are encapsulated by a given type of copolymers. Random heteropolymers (RHPs), a special family of copolymers with random segment order, have long been recognized as a promising coating materials due to their biomimetic behaviors while allowing for much flexibility in the synthesis procedure. Of practical importance is the ability to predict the conditions under which a given family of random heteropolymers would provide optimal encapsulatio. Here we investigate the key factors that govern the adsorption of RHPs on the surface of a model protein. Using coarse-grained molecular simulation we identify the conditions under which the model protein is fully covered by the polymers. We have examined the nanometer-level details of the adsorbed polymer chains and found a clear connection between the surface coverage and adsorption strength, solvent selectivity and the volume fraction of adsorbing monomers. The results in this work set the stage for further investigation on engineering biomimetic RHPs for stabilizing and delivering functional proteins across multiple media.

Proton therapy of prostate cancer by anterior-oblique beams: implications of setup and anatomy variations

NASA Astrophysics Data System (ADS)

Moteabbed, M.; Trofimov, A.; Sharp, G. C.; Wang, Y.; Zietman, A. L.; Efstathiou, J. A.; Lu, H.-M.

2017-03-01

Proton therapy of prostate by anterior beams could offer an attractive option for treating patients with hip prosthesis and limiting the high-dose exposure to the rectum. We investigated the impact of setup and anatomy variations on the anterior-oblique (AO) proton plan dose, and strategies to manage these effects via range verification and adaptive delivery. Ten patients treated by bilateral (BL) passive-scattering proton therapy (79.2 Gy in 44 fractions) who underwent weekly verification CT scans were selected. Plans with AO beams were additionally created. To isolate the effect of daily variations, initial AO plans did not include range uncertainty margins. The use of fixed planning margins and adaptive range adjustments to manage these effects was investigated. For each case, the planned dose was recalculated on weekly CTs, and accumulated on the simulation CT using deformable registration to approximate the delivered dose. Planned and accumulated doses were compared for each scenario to quantify dose deviations induced by variations. The possibility of estimating the necessary range adjustments before each treatment was explored by simulating the procedure of a diode-based in vivo range verification technique, which would potentially be used clinically. The average planned rectum, penile bulb and femoral heads mean doses were smaller for initial AO compared to BL plans (by 8.3, 16.1 and 25.9 Gy, respectively). After considering interfractional variations in AO plans, the target coverage was substantially reduced. The maximum reduction of V 79.2/D 95/D mean/EUD for AO (without distal margins) (25.3%/10.7/1.6/4.9 Gy, respectively) was considerably larger than BL plans. The loss of coverage was mainly related to changes in water equivalent path length of the prostate after fiducial-based setup, caused by discrepancies in patient anterior surface and bony-anatomy alignment. Target coverage was recovered partially when using fixed planning margins, and fully when applying adaptive range adjustments. The accumulated organs-at-risk dose for AO beams after range adjustment demonstrated full sparing of femoral heads and superior sparing of penile bulb and rectum compared to the conventional BL cases. Our study indicates that using AO beams makes prostate treatment more susceptible to target underdose induced by interfractional variations. Adaptive range verification/adjustment may facilitate the use of anterior beam approaches, and ensure adequate target coverage in every fraction of the treatment.

A Thermal Evolution Model of the Earth Including the Biosphere, Continental Growth and Mantle Hydration

NASA Astrophysics Data System (ADS)

Höning, D.; Spohn, T.

2014-12-01

By harvesting solar energy and converting it to chemical energy, photosynthetic life plays an important role in the energy budget of Earth [2]. This leads to alterations of chemical reservoirs eventually affecting the Earth's interior [4]. It further has been speculated [3] that the formation of continents may be a consequence of the evolution life. A steady state model [1] suggests that the Earth without its biosphere would evolve to a steady state with a smaller continent coverage and a dryer mantle than is observed today. We present a model including (i) parameterized thermal evolution, (ii) continental growth and destruction, and (iii) mantle water regassing and outgassing. The biosphere enhances the production rate of sediments which eventually are subducted. These sediments are assumed to (i) carry water to depth bound in stable mineral phases and (ii) have the potential to suppress shallow dewatering of the underlying sediments and crust due to their low permeability. We run a Monte Carlo simulation for various initial conditions and treat all those parameter combinations as success which result in the fraction of continental crust coverage observed for present day Earth. Finally, we simulate the evolution of an abiotic Earth using the same set of parameters but a reduced rate of continental weathering and erosion. Our results suggest that the origin and evolution of life could have stabilized the large continental surface area of the Earth and its wet mantle, leading to the relatively low mantle viscosity we observe at present. Without photosynthetic life on our planet, the Earth would be geodynamical less active due to a dryer mantle, and would have a smaller fraction of continental coverage than observed today. References[1] Höning, D., Hansen-Goos, H., Airo, A., Spohn, T., 2014. Biotic vs. abiotic Earth: A model for mantle hydration and continental coverage. Planetary and Space Science 98, 5-13. [2] Kleidon, A., 2010. Life, hierarchy, and the thermodynamic machinery of planet Earth. Phys. Life Rev. 7, 428-460. [3] Rosing, M .T., et al., 2006. The rise of continents - an essay on the geologic consequences of photosynthesis. Paleogeogr., Paleoclimatol., Paleoecol. 232, 99-113. [4] Sleep, N.H., Bird, D.K., Pope, E., 2012. Paleontology of Earth's mantle. Annu. Rev. Earth Planet. Sci. 40, 277-300.

High-order fractional partial differential equation transform for molecular surface construction

PubMed Central

Hu, Langhua; Chen, Duan; Wei, Guo-Wei

2013-01-01

Fractional derivative or fractional calculus plays a significant role in theoretical modeling of scientific and engineering problems. However, only relatively low order fractional derivatives are used at present. In general, it is not obvious what role a high fractional derivative can play and how to make use of arbitrarily high-order fractional derivatives. This work introduces arbitrarily high-order fractional partial differential equations (PDEs) to describe fractional hyperdiffusions. The fractional PDEs are constructed via fractional variational principle. A fast fractional Fourier transform (FFFT) is proposed to numerically integrate the high-order fractional PDEs so as to avoid stringent stability constraints in solving high-order evolution PDEs. The proposed high-order fractional PDEs are applied to the surface generation of proteins. We first validate the proposed method with a variety of test examples in two and three-dimensional settings. The impact of high-order fractional derivatives to surface analysis is examined. We also construct fractional PDE transform based on arbitrarily high-order fractional PDEs. We demonstrate that the use of arbitrarily high-order derivatives gives rise to time-frequency localization, the control of the spectral distribution, and the regulation of the spatial resolution in the fractional PDE transform. Consequently, the fractional PDE transform enables the mode decomposition of images, signals, and surfaces. The effect of the propagation time on the quality of resulting molecular surfaces is also studied. Computational efficiency of the present surface generation method is compared with the MSMS approach in Cartesian representation. We further validate the present method by examining some benchmark indicators of macromolecular surfaces, i.e., surface area, surface enclosed volume, surface electrostatic potential and solvation free energy. Extensive numerical experiments and comparison with an established surface model indicate that the proposed high-order fractional PDEs are robust, stable and efficient for biomolecular surface generation. PMID:24364020

The effect of EDTA in attachment gain and root coverage.

PubMed

Kassab, Moawia M; Cohen, Robert E; Andreana, Sebastiano; Dentino, Andrew R

2006-06-01

Root surface biomodification using low pH agents such as citric acid and tetracycline has been proposed to enhance root coverage following connective tissue grafting. The authors hypothesized that root conditioning with neutral pH edetic acid would improve vertical recession depth, root surface coverage, pocket depth, and clinical attachment levels. Twenty teeth in 10 patients with Miller class I and II recession were treated with connective tissue grafting. The experimental sites received 24% edetic acid in sterile distilled water applied to the root surface for 2 minutes before grafting. Controls were pretreated with only sterile distilled water. Measurements were evaluated before surgery and 6 months after surgery. Analysis of variance was used to determine differences between experimental and control groups. We found significant postoperative improvements in vertical recession depth, root surface coverage, and clinical attachment levels in test and control groups, compared to postoperative data. Pocket depth differences were not significant (P<.01).

Wet formation and structural characterization of quasi-hexagonal monolayers.

PubMed

Batys, Piotr; Weroński, Paweł; Nosek, Magdalena

2016-01-01

We have presented a simple and efficient method for producing dense particle monolayers with controlled surface coverage. The method is based on particle sedimentation, manipulation of the particle-substrate electrostatic interaction, and gentle mechanical vibration of the system. It allows for obtaining quasi-hexagonal structures under wet conditions. Using this method, we have produced a monolayer of 3 μm silica particles on a glassy carbon substrate. By optical microscopy, we have determined the coordinates of the particles and surface coverage of the obtained structure to be 0.82. We have characterized the monolayer structure by means of the pair-correlation function and power spectrum. We have also compared the results with those for a 2D hexagonal monolayer and monolayer generated by random sequential adsorption at the coverage 0.50. We have found the surface fractal dimension to be 2.5, independently of the monolayer surface coverage. Copyright © 2015 Elsevier Inc. All rights reserved.

Adsorption of Poly(methyl methacrylate) on Concave Al2O3 Surfaces in Nanoporous Membranes

PubMed Central

Nunnery, Grady; Hershkovits, Eli; Tannenbaum, Allen; Tannenbaum, Rina

2009-01-01

The objective of this study was to determine the influence of polymer molecular weight and surface curvature on the adsorption of polymers onto concave surfaces. Poly(methyl methacrylate) (PMMA) of various molecular weights was adsorbed onto porous aluminum oxide membranes having various pore sizes, ranging from 32 to 220 nm. The surface coverage, expressed as repeat units per unit surface area, was observed to vary linearly with molecular weight for molecular weights below ~120 000 g/mol. The coverage was independent of molecular weight above this critical molar mass, as was previously reported for the adsorption of PMMA on convex surfaces. Furthermore, the coverage varied linearly with pore size. A theoretical model was developed to describe curvature-dependent adsorption by considering the density gradient that exists between the surface and the edge of the adsorption layer. According to this model, the density gradient of the adsorbed polymer segments scales inversely with particle size, while the total coverage scales linearly with particle size, in good agreement with experiment. These results show that the details of the adsorption of polymers onto concave surfaces with cylindrical geometries can be used to calculate molecular weight (below a critical molecular weight) if pore size is known. Conversely, pore size can also be determined with similar adsorption experiments. Most significantly, for polymers above a critical molecular weight, the precise molecular weight need not be known in order to determine pore size. Moreover, the adsorption developed and validated in this work can be used to predict coverage also onto surfaces with different geometries. PMID:19415910

Characterization and methanol electrooxidation studies of Pt(111)/Os surfaces prepared by spontaneous deposition.

PubMed

Johnston, Christina M; Strbac, Svetlana; Lewera, Adam; Sibert, Eric; Wieckowski, Andrzej

2006-09-12

Catalytic activity of the Pt(111)/Os surface toward methanol electrooxidation was optimized by exploring a wide range of Os coverage. Various methods of surface analyses were used, including electroanalytical, STM, and XPS methods. The Pt(111) surface was decorated with nanosized Os islands by spontaneous deposition, and the Os coverage was controlled by changing the exposure time to the Os-containing electrolyte. The structure of Os deposits on Pt(111) was characterized and quantified by in situ STM and stripping voltammetry. We found that the optimal Os surface coverage of Pt(111) for methanol electrooxidation was 0.7 +/- 0.1 ML, close to 1.0 +/- 0.1 Os packing density. Apparently, the high osmium coverage Pt(111)/Os surface provides more of the necessary oxygen-containing species (e.g., Os-OH) for effective methanol electrooxidation than the Pt(111)/Os surfaces with lower Os coverage (vs e.g., Ru-OH). Supporting evidence for this conjecture comes from the CO electrooxidation data, which show that the onset potential for CO stripping is lowered from 0.53 to 0.45 V when the Os coverage is increased from 0.2 to 0.7 ML. However, the activity of Pt(111)/Os for methanol electrooxidation decreases when the Os coverage is higher than 0.7 +/- 0.1 ML, indicating that Pt sites uncovered by Os are necessary for sustaining significant methanol oxidation rates. Furthermore, osmium is inactive for methanol electrooxidation when the platinum substrate is absent: Os deposits on Au(111), a bulk Os ingot, and thick films of electrodeposited Os on Pt(111), all compare poorly to Pt(111)/Os. We conclude that a bifunctional mechanism applies to the methanol electrooxidation similarly to Pt(111)/Ru, although with fewer available Pt sites. Finally, the potential window for methanol electrooxidation on Pt(111)/Os was observed to shift positively versus Pt(111)/Ru. Because of the difference in the Os and Ru oxophilicity under electrochemical conditions, the Os deposit provides fewer oxygen-containing species, at least below 0.5 V vs RHE. Both higher coverage of Os than Ru and the higher potentials are required to provide a sufficient number of active oxygen-containing species for the effective removal of the site-blocking CO from the catalyst surface when the methanol electrooxidation process occurs.

A brief description of the simple biosphere model (SiB)

NASA Technical Reports Server (NTRS)

Sellers, P. J.; Mintz, Y.; Sud, Y. C.

1986-01-01

A biosphere model for calculating the transfer of energy, mass, and momentum between the atmosphere and the vegetated surface of the Earth was designed for atmospheric general circulation models. An upper vegetation layer represents the perennial canopy of trees or shrubs, a lower layer represents the annual ground cover of grasses and other herbacious species. The local coverage of each vegetation layer may be fractional or complete but as the individual vegetation elements are considered to be evenly spaced, their root systems are assumed to extend uniformly throughout the entire grid-area. The biosphere has seven prognostic physical-state variables: two temperatures (one for the canopy and one for the ground cover and soil surface); two interception water stores (one for the canopy and one for the ground cover); and three soil moisture stores (two of which can be reached by the vegetation root systems and one underlying recharge layer into and out of which moisture is transferred only by hydraulic diffusion).

Modelling radiative transfer through ponded first-year Arctic sea ice with a plane-parallel model

NASA Astrophysics Data System (ADS)

Taskjelle, Torbjørn; Hudson, Stephen R.; Granskog, Mats A.; Hamre, Børge

2017-09-01

Under-ice irradiance measurements were done on ponded first-year pack ice along three transects during the ICE12 expedition north of Svalbard. Bulk transmittances (400-900 nm) were found to be on average 0.15-0.20 under bare ice, and 0.39-0.46 under ponded ice. Radiative transfer modelling was done with a plane-parallel model. While simulated transmittances deviate significantly from measured transmittances close to the edge of ponds, spatially averaged bulk transmittances agree well. That is, transect-average bulk transmittances, calculated using typical simulated transmittances for ponded and bare ice weighted by the fractional coverage of the two surface types, are in good agreement with the measured values. Radiative heating rates calculated from model output indicates that about 20 % of the incident solar energy is absorbed in bare ice, and 50 % in ponded ice (35 % in pond itself, 15 % in the underlying ice). This large difference is due to the highly scattering surface scattering layer (SSL) increasing the albedo of the bare ice.

Investigating the Effects of Environmental Solutes on the Reaction Environment in Ice and at Ice Surfaces

NASA Astrophysics Data System (ADS)

Malley, Philip Patrick Anthony

The reaction environments present in water, ice, and at ice surfaces are physically distinct from one another and studies have shown that photolytic reactions can take place at different rates in the different media. Kinetics of reactions in frozen media are measured in snow and ice prepared from deionized water. This reduces experimental artifacts, but is not relevant to snow in the environment, which contains solutes. We have monitored the effect of nonchromophoric (will not absorb sunlight) organic matter on the photolytic fate of the polycyclic aromatic hydrocarbons (PAHs) phenanthrene, pyrene, and anthracene in ice and at ice surfaces. Nonchromophoric organic matter reduced photolysis rates to below our detection limit in bulk ice, and reduced rates at ice surfaces to a lesser extent due to the PAHs partially partitioning to the organics present. In addition, we have monitored the effect of chromophoric (will absorb sunlight) dissolved organic matter (cDOM) on the fate of anthracene in water, ice, and ice surfaces. cDOM reduced rates in all three media. Suppression in liquid water was due to physical interactions between anthracene and the cDOM, rather than to competitive photon absorbance. More suppression was observed in ice cubes and ice granules than in liquid water due to a freeze concentrating effect. Sodium Chloride (NaCl) is another ubiquitous environmental solute that can influence reaction kinetics in water, ice, and at ice surfaces. Using Raman microscopy, we have mapped the surface of ice of frozen NaCl solutions at 0.02M and 0.6M, as well as the surface of frozen samples of Sargasso Sea Water. At temperatures above and below the eutectic temperature (-21.1°C). Above the eutectic, regions of ice and liquid water were observed in all samples. Liquid regions generally took the form of channels. Channel widths and fractional liquid surface coverage increased with NaCl concentration and temperature. Volume maps of the three samples at temperatures above the eutectic point, showed that liquid channels were distributed throughout the ice sample. Liquid fractions were similar at ice surfaces and in the bulk at depths of at least 80 microm.

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

Jagannathan, Kaushik; Benson, David M.; Robinson, David B.

Nanofilms of Pd were grown using an electrochemical form of atomic layer deposition (E-ALD) on 100 nm evaporated Au films on glass. Multiple cycles of surface-limited redox replacement (SLRR) were used to grow deposits. Each SLRR involved the underpotential deposition (UPD) of a Cu atomic layer, followed by open circuit replacement via redox exchange with tetrachloropalladate, forming a Pd atomic layer: one E-ALD deposition cycle. That cycle was repeated in order to grow deposits of a desired thickness. 5 cycles of Pd deposition were performed on the Au on glass substrates, resulting in the formation of 2.5 monolayers of Pd.more » Those Pd films were then modified with varying coverages of Pt, also formed using SLRR. The amount of Pt was controlled by changing the potential for Cu UPD, and by increasing the number of Pt deposition cycles. Hydrogen absorption was studied using coulometry and cyclic voltammetry in 0.1 M H 2SO 4 as a function of Pt coverage. The presence of even a small fraction of a Pt monolayer dramatically increased the rate of hydrogen desorption. However, this did not reduce the films’ hydrogen storage capacity. The increase in desorption rate in the presence of Pt was over an order of magnitude.« less

CLASS: The Cosmology Large Angular Scale Surveyor

NASA Technical Reports Server (NTRS)

Essinger-Hileman, Thomas; Ali, Aamir; Amiri, Mandana; Appel, John W.; Araujo, Derek; Bennett, Charles L.; Boone, Fletcher; Chan, Manwei; Cho, Hsiao-Mei; Chuss, David T.;

Coverage Dependent Assembly of Anthraquinone on Au(111)

NASA Astrophysics Data System (ADS)

Conrad, Brad; Deloach, Andrew; Einstein, Theodore; Dougherty, Daniel

A study of adsorbate-adsorbate and surface state mediated interactions of anthraquinone (AnQ) on Au(111) is presented. We utilize scanning tunneling microscopy (STM) to characterize the coverage dependence of AnQ structure formation. Ordered structures are observed up to a single monolayer (ML) and are found to be strongly dependent on molecular surface density. While the complete ML forms a well-ordered close-packed layer, for a narrow range of sub-ML coverages irregular close-packed islands are observed to coexist with a disordered pore network linking neighboring islands. This network displays a characteristic pore size and at lower coverages, the soliton walls of the herringbone reconstruction are shown to promote formation of distinct pore nanostructures. We will discuss these nanostructure formations in the context of surface mediated and more direct adsorbate interactions.

The interpretation of remotely sensed cloud properties from a model paramterization perspective

NASA Technical Reports Server (NTRS)

HARSHVARDHAN; Wielicki, Bruce A.; Ginger, Kathryn M.

1994-01-01

A study has been made of the relationship between mean cloud radiative properties and cloud fraction in stratocumulus cloud systems. The analysis is of several Land Resources Satellite System (LANDSAT) images and three hourly International Satellite Cloud Climatology Project (ISCCP) C-1 data during daylight hours for two grid boxes covering an area typical of a general circulation model (GCM) grid increment. Cloud properties were inferred from the LANDSAT images using two thresholds and several pixel resolutions ranging from roughly 0.0625 km to 8 km. At the finest resolution, the analysis shows that mean cloud optical depth (or liquid water path) increases somewhat with increasing cloud fraction up to 20% cloud coverage. More striking, however, is the lack of correlation between the two quantities for cloud fractions between roughly 0.2 and 0.8. When the scene is essentially overcast, the mean cloud optical tends to be higher. Coarse resolution LANDSAT analysis and the ISCCP 8-km data show lack of correlation between mean cloud optical depth and cloud fraction for coverage less than about 90%. This study shows that there is perhaps a local mean liquid water path (LWP) associated with partly cloudy areas of stratocumulus clouds. A method has been suggested to use this property to construct the cloud fraction paramterization in a GCM when the model computes a grid-box-mean LWP.

Theoretical study of the ammonia nitridation rate on an Fe (100) surface: a combined density functional theory and kinetic Monte Carlo study.

PubMed

Yeo, Sang Chul; Lo, Yu Chieh; Li, Ju; Lee, Hyuck Mo

2014-10-07

Ammonia (NH3) nitridation on an Fe surface was studied by combining density functional theory (DFT) and kinetic Monte Carlo (kMC) calculations. A DFT calculation was performed to obtain the energy barriers (Eb) of the relevant elementary processes. The full mechanism of the exact reaction path was divided into five steps (adsorption, dissociation, surface migration, penetration, and diffusion) on an Fe (100) surface pre-covered with nitrogen. The energy barrier (Eb) depended on the N surface coverage. The DFT results were subsequently employed as a database for the kMC simulations. We then evaluated the NH3 nitridation rate on the N pre-covered Fe surface. To determine the conditions necessary for a rapid NH3 nitridation rate, the eight reaction events were considered in the kMC simulations: adsorption, desorption, dissociation, reverse dissociation, surface migration, penetration, reverse penetration, and diffusion. This study provides a real-time-scale simulation of NH3 nitridation influenced by nitrogen surface coverage that allowed us to theoretically determine a nitrogen coverage (0.56 ML) suitable for rapid NH3 nitridation. In this way, we were able to reveal the coverage dependence of the nitridation reaction using the combined DFT and kMC simulations.

Kinetically controlled indium surface coverage effects on PAMBE-growth of InN/GaN(0001) quantum well structures

NASA Astrophysics Data System (ADS)

Li, Chen; Maidaniuk, Yurii; Kuchuk, Andrian V.; Shetty, Satish; Ghosh, Pijush; White, Thomas P.; Morgan, Timothy Al.; Hu, Xian; Wu, Yang; Ware, Morgan E.; Mazur, Yuriy I.; Salamo, Gregory J.

2018-05-01

We report the effects of nitrogen (N) plasma and indium (In) flux on the In adatom adsorption/desorption kinetics on a GaN(0001) surface at the relatively high plasma-assisted molecular beam epitaxy-growth temperature of 680 °C. We experimentally demonstrate that under an active N flux, the (√{3 }×√{3 })R 30 ° surface reconstruction containing In and N quickly appears and the dynamically stable In adlayers sitting on this surface exhibit a continuous change from 0 to 2 MLs as a function of In flux. Compared to the bare GaN 1 ×1 surface which is stable during In exposure without an active N flux, we observed a much faster desorption for the bottom In adlayer and the absence of an In flux window corresponding to an In coverage of 1 ML. Moreover, when the In coverage exceeds 2 MLs, the desorption rates become identical for both surfaces. Finally, the importance of In surface coverage before GaN capping was shown by growing a series of InN/GaN multiple quantum well samples. The photoluminescence data show that a consistent quantum well structure is only formed if the surface is covered by excess In droplets before GaN capping.

A temperature-programmed X-ray photoelectron spectroscopy (TPXPS) study of chlorine adsorption and diffusion on Ag(1 1 1)

NASA Astrophysics Data System (ADS)

Piao, H.; Adib, K.; Barteau, Mark A.

2004-05-01

Synchrotron-based temperature programmed X-ray photoelectron spectroscopy (TPXPS) has been used to investigate the surface chloridation of Ag(1 1 1) to monolayer coverages. At 100 K both atomic and molecular chlorine species are present on the surface; adsorption at 300 K or annealing the adlayer at 100 K to this temperature generates adsorbed Cl atoms. As the surface is heated from 300 to 600 K, chlorine atoms diffuse below the surface, as demonstrated by attenuation of the Cl2p signals in TPXPS experiments. Quantitative analysis of the extent of attenuation is consistent with chlorine diffusion below the topmost silver layer. For coverages in the monolayer and sub-monolayer regime, chlorine diffusion to and from the bulk appears not to be significant, in contrast to previous results obtained at higher chlorine loadings. Chlorine is removed from the surface at 650-780 K by desorption as AgCl. These results demonstrate that chlorine diffusion beneath the surface does occur at coverages and temperatures relevant to olefin epoxidation processes carried out on silver catalysts with chlorine promoters. The surface sensitivity advantages of synchrotron-based XPS experiments were critical to observing Cl diffusion to the sub-surface at low coverages.

The eXtra Small Analyzer for Neutrals (XSAN) instrument on-board of the Lunar-Glob lander

NASA Astrophysics Data System (ADS)

Wieser, Martin; Barabash, Stas

A large fraction of up to 20 precent of the solar wind impinging onto the lunar surface is reflected back to space as energetic neutral atoms. The SARA instrument on the Chandrayaan-1 mission provided a comprehensive coverage of the lunar surface of this interaction by mapping it from a 100 - 200 km orbit. The micro-physics of this reflection process is unexplored however. With the eXtra Small Analyzer for Neutrals instrument (XSAN) placed on the Lunar-Glob lander, we will directly investigate the production process of energetic neutral atoms from a vantage point of only meters from the surface for the first time. The XSAN design is based on the Solar Wind Monitor (SWIM) family of instruments originally flown on the Indian Chandrayaan-1 mission and with derivatives built e.g. for ESA's BepiColombo Mission to Mercury or for Phobos-Grunt. XSAN extends the functionality of this instrument family by adding a neutral atom to ion conversion surface in its entrance system. This will make it possible to measure detailed energy spectra and mass composition of the energetic neutral atoms originating from the lunar surface. We present an overview of the XSAN instrument and its science and report on latest developments.

Importance of ion bombardment during coverage of Au nanoparticles on their structural features and optical response

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

Resta, V.; Peláez, R. J.; Afonso, C. N.

2014-03-28

This work studies the changes in the optical response and morphological features of 6 ± 1 nm diameter Au nanoparticles (NPs) when covered by a layer of a-Al{sub 2}O{sub 3} by pulsed laser deposition (PLD). The laser fluence used for ablating the Al{sub 2}O{sub 3} target is varied in order to modify the kinetic energy (KE) of the species bombarding the NPs during their coverage. When the ion KE < 200 eV, the structural features and optical properties of the NPs are close to those of uncovered ones. Otherwise, a shift to the blue and a strong damping of the surface plasmon resonance is observed asmore » fluence is increased. There are two processes responsible for these changes, both related to aluminum ions arriving to the substrate during the coverage process, i.e., sputtering of the metal and implantation of aluminum species in the metal. Both processes have been simulated using standard models for ion bombardment, the calculated effective implanted depths allow explaining the observed changes in the optical response, and the use of a size-dependent sputtering coefficient for the Au NPs predicts the experimental sputtering fractions. In spite of the work is based on PLD, the concepts investigated and conclusions can straightforwardly be extrapolated to other physical vapor deposition techniques or processes involving ion bombardment of metal NPs by ions having KE > 200 eV.« less

SU-C-202-05: Pilot Study of Online Treatment Evaluation and Adaptive Re-Planning for Laryngeal SBRT

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

Mao, W; Henry Ford Health System, Detroit, MI; Liu, C

Purpose: We have instigated a phase I trial of 5-fraction stereotactic body radiotherapy (SBRT) for advanced-stage laryngeal cancer. We conducted this pilot dosimetric study to confirm the potential utility of online adaptive re-planning to preserve treatment quality. Methods: Ten cases of larynx cancer were evaluated. Baseline and daily SBRT treatment plans were generated per trial protocol. Daily volumetric images were acquired prior to every fraction of treatment. Reference simulation CT images were deformably registered to daily volumetric images using Eclipse. Planning contours were then deformably propagated to daily images. Reference SBRT plans were directly copied to calculate delivered dose distributionsmore » on deformed reference CT images. In-house software platform has been developed to calculate cumulative dose over a course of treatment in four steps: 1) deforming delivered dose grid to reference CT images using deformation information exported from Eclipse; 2) generating tetrahedrons using deformed dose grid as vertices; 3) resampling dose to a high resolution within every tetrahedron; 4) calculating dose-volume histograms. Our inhouse software was benchmarked with a commercial software, Mirada. Results: In all ten cases including 49 fractions of treatments, delivered daily doses were completely evaluated and treatment could be re-planned within 10 minutes. Prescription dose coverage of PTV was less than intended in 53% of fractions of treatment (mean: 94%, range: 84%–98%) while minimum coverage of CTV and GTV was 94% and 97%, respectively. Maximum bystander point dose limits to arytenoids, parotids, and spinal cord remained respected in all cases, although variances in carotid artery doses were observed in a minority of cases. Conclusion: Although GTV and CTV coverage is preserved by in-room 3D image guidance of larynx SBRT, PTV coverage can vary significantly from intended plans. Online adaptive treatment evaluation and re-planning is potentially necessary and our procedure is clinically applicable to fully preserve treatment quality. This project is supported by CPRIT Individual Investigator Research Award RP150386.« less

Improving the Yule-Nielsen modified Neugebauer model by dot surface coverages depending on the ink superposition conditions

NASA Astrophysics Data System (ADS)

Hersch, Roger David; Crété, Frédérique

2004-12-01

Dot gain is different when dots are printed alone, printed in superposition with one ink or printed in superposition with two inks. In addition, the dot gain may also differ depending on which solid ink the considered halftone layer is superposed. In a previous research project, we developed a model for computing the effective surface coverage of a dot according to its superposition conditions. In the present contribution, we improve the Yule-Nielsen modified Neugebauer model by integrating into it our effective dot surface coverage computation model. Calibration of the reproduction curves mapping nominal to effective surface coverages in every superposition condition is carried out by fitting effective dot surfaces which minimize the sum of square differences between the measured reflection density spectra and reflection density spectra predicted according to the Yule-Nielsen modified Neugebauer model. In order to predict the reflection spectrum of a patch, its known nominal surface coverage values are converted into effective coverage values by weighting the contributions from different reproduction curves according to the weights of the contributing superposition conditions. We analyze the colorimetric prediction improvement brought by our extended dot surface coverage model for clustered-dot offset prints, thermal transfer prints and ink-jet prints. The color differences induced by the differences between measured reflection spectra and reflection spectra predicted according to the new dot surface estimation model are quantified on 729 different cyan, magenta, yellow patches covering the full color gamut. As a reference, these differences are also computed for the classical Yule-Nielsen modified spectral Neugebauer model incorporating a single halftone reproduction curve for each ink. Taking into account dot surface coverages according to different superposition conditions considerably improves the predictions of the Yule-Nielsen modified Neugebauer model. In the case of offset prints, the mean difference between predictions and measurements expressed in CIE-LAB CIE-94 ΔE94 values is reduced at 100 lpi from 1.54 to 0.90 (accuracy improvement factor: 1.7) and at 150 lpi it is reduced from 1.87 to 1.00 (accuracy improvement factor: 1.8). Similar improvements have been observed for a thermal transfer printer at 600 dpi, at lineatures of 50 and 75 lpi. In the case of an ink-jet printer at 600 dpi, the mean ΔE94 value is reduced at 75 lpi from 3.03 to 0.90 (accuracy improvement factor: 3.4) and at 100 lpi from 3.08 to 0.91 (accuracy improvement factor: 3.4).

Improving the Yule-Nielsen modified Neugebauer model by dot surface coverages depending on the ink superposition conditions

NASA Astrophysics Data System (ADS)

Hersch, Roger David; Crete, Frederique

2005-01-01

Dot gain is different when dots are printed alone, printed in superposition with one ink or printed in superposition with two inks. In addition, the dot gain may also differ depending on which solid ink the considered halftone layer is superposed. In a previous research project, we developed a model for computing the effective surface coverage of a dot according to its superposition conditions. In the present contribution, we improve the Yule-Nielsen modified Neugebauer model by integrating into it our effective dot surface coverage computation model. Calibration of the reproduction curves mapping nominal to effective surface coverages in every superposition condition is carried out by fitting effective dot surfaces which minimize the sum of square differences between the measured reflection density spectra and reflection density spectra predicted according to the Yule-Nielsen modified Neugebauer model. In order to predict the reflection spectrum of a patch, its known nominal surface coverage values are converted into effective coverage values by weighting the contributions from different reproduction curves according to the weights of the contributing superposition conditions. We analyze the colorimetric prediction improvement brought by our extended dot surface coverage model for clustered-dot offset prints, thermal transfer prints and ink-jet prints. The color differences induced by the differences between measured reflection spectra and reflection spectra predicted according to the new dot surface estimation model are quantified on 729 different cyan, magenta, yellow patches covering the full color gamut. As a reference, these differences are also computed for the classical Yule-Nielsen modified spectral Neugebauer model incorporating a single halftone reproduction curve for each ink. Taking into account dot surface coverages according to different superposition conditions considerably improves the predictions of the Yule-Nielsen modified Neugebauer model. In the case of offset prints, the mean difference between predictions and measurements expressed in CIE-LAB CIE-94 ΔE94 values is reduced at 100 lpi from 1.54 to 0.90 (accuracy improvement factor: 1.7) and at 150 lpi it is reduced from 1.87 to 1.00 (accuracy improvement factor: 1.8). Similar improvements have been observed for a thermal transfer printer at 600 dpi, at lineatures of 50 and 75 lpi. In the case of an ink-jet printer at 600 dpi, the mean ΔE94 value is reduced at 75 lpi from 3.03 to 0.90 (accuracy improvement factor: 3.4) and at 100 lpi from 3.08 to 0.91 (accuracy improvement factor: 3.4).

Dehydration and Dehydrogenation of Ethylene Glycol on Rutile TiO2(110)

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

Li, Zhenjun; Kay, Bruce D.; Dohnalek, Zdenek

2013-08-07

The interactions of ethylene glycol (EG) with partially reduced rutile TiO2(110) surface have been studied using temperature programmed desorption (TPD). The saturation coverage on the surface Ti rows is determined to be 0.43 monolayer (ML), slightly less than one EG per two Ti sites. Most of the adsorbed ethanol (~80%) undergoes further reactions to other products. Two major channels are observed, dehydration yielding ethylene and water and dehydrogenation yielding acetaldehyde and hydrogen. Hydrogen formation is rather surprising as it has not been observed previously on TiO2(110) from simple organic molecules. The coverage dependent yields of ethylene and acetaldehyde correlate wellmore » with that of water and hydrogen, respectively. Dehydration dominates at lower EG coverages (< 0.2 ML) and plateaus as the coverage is increased to saturation. Dehydrogenation is observed primarily at higher EG coverages (>0.2 ML). Our results suggest that the observed dehydration and dehydrogenation reactions proceed via different surface intermediates.« less

Tracking and Data Relay Satellite System user impact and network compatibility study. [antenna design and telecommunication links

NASA Technical Reports Server (NTRS)

1973-01-01

The report contains data on antenna configurations for the low data rate users of the Tracking and Data Relay Satellite System (TDRSS). It treats the coverage and mutual visibility considerations between the user satellites and the relay satellites and relates these considerations to requirements of antenna beamwidth and fractional user orbital coverage. A final section includes user/TDRS telecommunication link budgets and forward and return link data rate tradeoffs.

Experimental research on microhardness and wear resistances of pure Cu subjected to surface dynamic plastic deformation by ultrasonic impact

NASA Astrophysics Data System (ADS)

Chen, Zhaoxia; He, Yangming

2018-04-01

Dynamic plastic deformation (DPD) has been induced in the surface of pure Cu by ultrasonic impact treating (UIT) with the varied impact current and coverage percentage. The microstructures of the treated surface were analyzed by a scanning electron microscope (SEM). And the wear resistance of pure Cu was experimentally researched both with the treated and untreated specimens. The effect of DPD on the hardness was also investigated using microhardness tester. The results show that the grains on the top surfaces of pure Cu are highly refined. The maximum depth of the plastic deformation layer is approximately 1400 µm. The larger the current and coverage percentage, the greater of the microhardness and wear resistance the treated surface layer of pure Cu will be. When the impact current is 2 A and coverage percentage is 300%, the microhardness and wear resistance of the treated sample is about 276.1% and 68.8% higher than that of the untreated specimen, respectively. But the properties of the treated sample deteriorate when the UIT current is 3 A and the coverage percentage is 300% because of the formation of a new phase forms in the treated surface.

Interaction of diamond (111)-(1 × 1) and (2 × 1) surfaces with OH: a first principles study.

PubMed

Stampfl, C; Derry, T E; Makau, N W

2010-12-01

The properties of hydroxyl groups on C(111)-(1 × 1) and reconstructed (2 × 1) surfaces at different sites and for various coverages are investigated using density functional theory. Out of the adsorption sites considered, i.e. face centred cubic, hexagonal close packed, on-top and bridge sites, the on-top site is the most stable for OH on the C(111)-(1 × 1) surface for all coverages. On the reconstructed (2 × 1) surface the on-top site is the preferred configuration. Adsorption of OH was not stable however at any site on the reconstructed C(111)-(2 × 1) relative to the (1 × 1) surface; thus adsorption of OH leads to the de-reconstruction of the former surface. Both the 0.5 and 1 monolayer (ML) coverages were able to lift the (2 × 1) surface reconstruction. Repulsion between the OH adsorbates on the (1 × 1) surface sets in for coverages greater than 0.5 ML. A general decrease in the work function with increasing OH coverage was observed on both the (1 × 1) and (2 × 1) surfaces relative to the values of their respective clean surfaces. Regarding the electronic structure, O 2p states on the reconstructed (2 × 1) surface are observed at around - 21, - 8.75 , - 5 and - 2.5 eV, while O 2s states are present at - 22.5 eV. On the (1 × 1) surface (for 0.33 ML in the on-top site), O 2p states occurred between - 8 and - 9 eV, - 5 and - 4 eV and at around - 2.5 eV. O 2s states are established between - 22.5 and - 21 eV. The valence band width is 21 eV, and a hybrid 2s/2p state that is characteristic of diamond is located at about 12.5 eV below the valence band minimum.

Competitive Protein Adsorption on Polysaccharide and Hyaluronate Modified Surfaces

PubMed Central

Ombelli, Michela; Costello, Lauren; Postle, Corinne; Anantharaman, Vinod; Meng, Qing Cheng; Composto, Russell J.; Eckmann, David M.

2011-01-01

We measured adsorption of bovine serum albumin (BSA) and fibrinogen (Fg) onto six distinct bare and dextran- and hyaluronate-modified silicon surfaces created using two dextran grafting densities and three hyaluronic acid (HA) sodium salts derived from human umbilical cord, rooster comb and streptococcus zooepidemicus. Film thickness and surface morphology depended on HA molecular weight and concentration. BSA coverage was enhanced on surfaces upon competitive adsorption of BSA:Fg mixtures. Dextranization differentially reduced protein adsorption onto surfaces based on oxidation state. Hyaluronization was demonstrated to provide the greatest resistance to protein coverage, equivalent to that of the most resistant dextranized surface. Resistance to protein adsorption was independent of the type of hyaluronic acid utilized. With changing bulk protein concentration from 20 to 40 µg ml−1 for each species, Fg coverage on silicon increased by 4×, whereas both BSA and Fg adsorption on dextran and HA were far less dependent of protein bulk concentration. PMID:21623481

Negative electron affinity from aluminium on the diamond (1 0 0) surface: a theoretical study

NASA Astrophysics Data System (ADS)

James, Michael C.; Croot, Alex; May, Paul W.; Allan, Neil L.

2018-06-01

Density functional theory calculations were performed to model the adsorption of up to 1 monolayer (ML) of aluminium on the bare and O-terminated (1 0 0) diamond surface. Large adsorption energies of up to  ‑6.36 eV per atom are observed for the Al-adsorbed O-terminated diamond surface. Most adsorption sites give a negative electron affinity (NEA), with the largest NEAs  ‑1.47 eV on the bare surface (1 ML coverage) and  ‑1.36 eV on the O-terminated surface (0.25 ML coverage). The associated adsorption energies per Al atom for these sites are  ‑4.11 eV and  ‑5.24 eV, respectively. Thus, with suitably controlled coverage, Al on diamond shows promise as a thermally-stable surface for electron emission applications.

Thermal desorption study of physical forces at the PTFE surface

NASA Technical Reports Server (NTRS)

Wheeler, D. R.; Pepper, S. V.

1987-01-01

Thermal desorption spectroscopy (TDS) of the polytetrafluoroethylene (PTFE) surface was successfully employed to study the possible role of physical forces in the enhancement of metal-PTFE adhesion by radiation. The thermal desorption spectra were analyzed without assumptions to yield the activation energy for desorption over a range of xenon coverage from less than 0.1 monolayer to more than 100 monolayers. For multilayer coverage, the desorption is zero-order with an activation energy equal to the sublimation energy of xenon. For submonolayer coverages, the order for desorption from the unirradiated PTFE surface is 0.73 and the activation energy for desorption is between 3.32 and 3.36 kcal/mol; less than the xenon sublimation energy. The effect of irradiation is to increase the activation energy for desorption to as high as 4 kcal/mol at low coverage.

Thermal desorption study of physical forces at the PTFE surface

NASA Technical Reports Server (NTRS)

Wheeler, D. R.; Pepper, S. V.

1985-01-01

Thermal desorption spectroscopy (TDS) of the polytetrafluoroethylene (PTFE) surface was successfully employed to study the possibile role of physical forces in the enhancement of metal-PTFE adhesion by radiation. The thermal desorption spectra were analyzed without assumptions to yield the activation energy for desorption over a range of xenon coverage from less than 0.1 monolayer to more than 100 monolayers. For multilayer coverage, the desorption is zero-order with an activation energy equal to the sublimation energy of xenon. For submonolayer coverages, the order for desorption from the unirradiated PTFE surface is 0.73 and the activation energy for desorption is between 3.32 and 3.36 kcal/mol; less than the xenon sublimation energy. The effect of irradiation is to increase the activation energy for desorption to as high as 4 kcal/mol at low coverage.

A new all-sky map of Galactic high-velocity clouds from the 21-cm HI4PI survey

NASA Astrophysics Data System (ADS)

Westmeier, Tobias

2018-02-01

High-velocity clouds (HVCs) are neutral or ionized gas clouds in the vicinity of the Milky Way that are characterized by high radial velocities inconsistent with participation in the regular rotation of the Galactic disc. Previous attempts to create a homogeneous all-sky H I map of HVCs have been hampered by a combination of poor angular resolution, limited surface brightness sensitivity and suboptimal sampling. Here, a new and improved H I map of Galactic HVCs based on the all-sky HI4PI survey is presented. The new map is fully sampled and provides significantly better angular resolution (16.2 versus 36 arcmin) and column density sensitivity (2.3 versus 3.7 × 1018 cm-2 at the native resolution) than the previously available LAB survey. The new HVC map resolves many of the major HVC complexes in the sky into an intricate network of narrow H I filaments and clumps that were not previously resolved by the LAB survey. The resulting sky coverage fraction of high-velocity H I emission above a column density level of 2 × 1018 cm-2 is approximately 15 per cent, which reduces to about 13 per cent when the Magellanic Clouds and other non-HVC emission are removed. The differential sky coverage fraction as a function of column density obeys a truncated power law with an exponent of -0.93 and a turnover point at about 5 × 1019 cm-2. H I column density and velocity maps of the HVC sky are made publicly available as FITS images for scientific use by the community.

QCM-D and ToF-SIMS Investigation to Deconvolute the Relationship between Lipid Adsorption and Orientation on Lipase Activity.

PubMed

Joyce, Paul; Kempson, Ivan; Prestidge, Clive A

2015-09-22

Quartz crystal microbalance with dissipation (QCM-D) and time-of-flight secondary ion mass spectrometry (ToF-SIMS) were used to provide insights into the relationship between lipid adsorption kinetics and molecular behavior in porous silica particles of varying hydrophobicities on lipase activity. Lipase (an interfacial enzyme that cleaves ester bonds to break down lipids to fatty acids and monoglycerides) activity was controlled by loading triglycerides at different surface coverages in hydrophilic and hydrophobic porous silica particles. The rate of lipid adsorption increased 2-fold for the hydrophobic surface compared to the hydrophilic surface. However, for submonolayer lipid coverage, the hydrophilic surface enhanced lipase activity 4-fold, whereas the hydrophobic surface inhibited lipase activity 16-fold, compared to lipid droplets in water. A difference in lipid orientation for low surface coverage, evidenced by ToF-SIMS, indicated that lipid adsorbs to hydrophilic silica in a conformation promoting hydrolysis. Multilayer coverage on hydrophobic and hydrophilic surfaces was indistinguishable with ToF-SIMS analysis. Increased lipid adsorption for both substrates facilitated digestion kinetics comparable to a conventional emulsion. Improved understanding of the interfacial adsorption and orientation of lipid and its digestibility in porous silica has implications in improving the uptake of pharmaceuticals and nutrients from lipid-based delivery systems.

EEG source localization: Sensor density and head surface coverage.

PubMed

Song, Jasmine; Davey, Colin; Poulsen, Catherine; Luu, Phan; Turovets, Sergei; Anderson, Erik; Li, Kai; Tucker, Don

2015-12-30

The accuracy of EEG source localization depends on a sufficient sampling of the surface potential field, an accurate conducting volume estimation (head model), and a suitable and well-understood inverse technique. The goal of the present study is to examine the effect of sampling density and coverage on the ability to accurately localize sources, using common linear inverse weight techniques, at different depths. Several inverse methods are examined, using the popular head conductivity. Simulation studies were employed to examine the effect of spatial sampling of the potential field at the head surface, in terms of sensor density and coverage of the inferior and superior head regions. In addition, the effects of sensor density and coverage are investigated in the source localization of epileptiform EEG. Greater sensor density improves source localization accuracy. Moreover, across all sampling density and inverse methods, adding samples on the inferior surface improves the accuracy of source estimates at all depths. More accurate source localization of EEG data can be achieved with high spatial sampling of the head surface electrodes. The most accurate source localization is obtained when the voltage surface is densely sampled over both the superior and inferior surfaces. Copyright © 2015 The Authors. Published by Elsevier B.V. All rights reserved.

Stable near-surface ocean salinity stratifications due to evaporation observed during STRASSE

NASA Astrophysics Data System (ADS)

Asher, William E.; Jessup, Andrew T.; Clark, Dan

2014-05-01

Under conditions with a large solar flux and low wind speed, a stably stratified warm layer forms at the ocean surface. Evaporation can then lead to an increase in salinity in the warm layer. A large temperature gradient will decrease density enough to counter the density increase caused by the salinity increase, forming a stable positive salinity anomaly at the surface. If these positive salinity anomalies are large in terms of the change in salinity from surface to the base of the gradient, if their areal coverage is a significant fraction of the satellite footprint, and if they persist long enough to be in the satellite field of view, they could be relevant for calibration and validation of L-band microwave salinity measurements. A towed, surface-following profiler was deployed from the N/O Thalassa during the Subtropical Atlantic Surface Salinity Experiment (STRASSE). The profiler measured temperature and conductivity in the surface ocean at depths of 10, 50, and 100 cm. The measurements show that positive salinity anomalies are common at the ocean surface for wind speeds less than 4 m s-1 when the average daily insolation is >300 W m-2 and the sea-to-air latent heat flux is greater than zero. A semiempirical model predicts the observed dependence of measured anomalies on environmental conditions. However, the model results and the field data suggest that these ocean surface salinity anomalies are not large enough in terms of the salinity difference to significantly affect microwave radiometric measurements of salinity.

SU-E-T-216: Comparison of Volumetrically Modulated Arc Therapy Treatment Using Flattening Filter Free Beams Vs. Flattened Beams for Partial Brain Irradiation

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

Yu, S; Roa, D; Hanna, N

2015-06-15

Purpose: Flattening Filter Free (FFF) beams offer the potential for higher dose rates, short treatment time, and lower out of field dose. Therefore, the aim of this study was to investigate the dosimetric effects and out of field dose of Volumetric Modulated Arc Therapy (VMAT) plans using FFF vs Flattening Filtering (FF) beams for partial brain irradiation. Methods: Ten brain patients treated with a 6FF beam from a Truebeam STX were analyzed retrospectively for this study. These plans (46Gy at 2 Gy per fraction) were re-optimized for 6FFF beams using the same dose constraints as the original plans. PTV coverage,more » PTV Dmax, total MUs, and mean dose to organs-at-risk (OAR) were evaluated. In addition, the out-of-field dose for 6FF and 6FFF plans for one patient was measured on an anthropomorphic phantom. TLDs were placed inside (central axis) and outside (surface) the phantom at distances ranging from 0.5 cm to 17 cm from the field edge. Paired T-test was used for statistical analysis. Results: PTV coverage and PTV Dmax were comparable for the FF and FFF plans with 95.9% versus 95.6% and 111.2% versus 111.9%, respectively. Mean dose to the OARs were 3.7% less for FFF than FF plans (p<0.0001). Total MUs were, on average, 12.5% greater for FFF than FF plans with 481±55 MU (FFF) versus 429±50 MU (FF), p=0.0003. On average, the measured out of field dose was 24% less for FFF compared to FF, p<0.0001. A similar beam-on time was observed for the FFF and FF treatment. Conclusion: It is beneficial to use 6FFF beams for regular fractionated brain VMAT treatments. VMAT treatment plans using FFF beams can achieve comparable PTV coverage but with more OAR sparing. The out of field dose is significant less with mean reduction of 24%.« less

Why CO bonds side-on at low coverage and both side-on and upright at high coverage on the Cr(110) surface

NASA Technical Reports Server (NTRS)

Mehandru, S. P.; Anderson, A. B.

1985-01-01

An atom superposition and electron delocalization molecular orbital study of CO adsorption on the Cr(110) surface shows a high coordinate lying down orientation is favored. This is a result of the large number of empty d-band energy levels in chromium, which allows the antibonding counterparts to sigma and pi donation bonds to the surface to be empty. When lying down, backbonding to CO pi sup * orbitals is enhanced. Repulsive interactions cause additional CO to stand upright at 1/4 monolyer coverage. The results confirm the recent experimental study of Shinn and Madey.

Surface Coverage and Metallicity of ZnO Surfaces from First-Principles Calculations

NASA Astrophysics Data System (ADS)

Zhang, Xiao; Schleife, Andre; The Schleife research Group Team

Zinc oxide (ZnO) surfaces are widely used in different applications such as catalysis, biosensing, and solar cells. These surfaces are, in many cases, chemically terminated by hydroxyl groups. In experiment, a transition of the ZnO surface electronic properties from semiconducting to metallic was reported upon increasing the hydroxyl coverage to more than approximately 80 %. The reason for this transition is not well understood yet. We report on first-principles calculations based on density functional theory for the ZnO [ 10 1 0 ] surface, taking different amounts of hydroxyl coverage into account. We calculated band structures for fully relaxed configurations and verified the existence of this transition. However, we only find the fully covered surface to be metallic. We thus explore the possibility for clustering of the surface-terminating hydroxyl groups based on total-energy calculations. We also found that the valence band maximum consists of oxygen p states from both the surface hydroxyl groups and the surface oxygen atoms of the material. The main contribution to the metallicity is found to be from the hydroxyl groups.

Island morphology statistics and growth mechanism for oxidation of the Al(111) surface with thermal O2 and NO

NASA Astrophysics Data System (ADS)

Sexton, J. Z.; Kummel, A. C.

2004-10-01

Scanning tunneling microscopy (STM) was employed to study the mechanism for the oxidation of Al(111) with thermal O2 and NO in the 20%-40% monolayer coverage regime. Experiments show that the islands formed upon exposure to thermal O2 and NO have dramatically different shapes, which are ultimately dictated by the dynamics of the gas surface interaction. The circumference-to-area ratio and other island morphology statistics are used to quantify the average difference in the two island types. Ultrahigh-vacuum STM was employed to make the following observations: (1) Oxygen islands on the Al(111) surface, formed upon exposure to thermal oxygen, are elongated and noncompact. (2) Mixed O/N islands on the Al(111) surface, formed upon exposure to thermal nitric oxide (NO), are round and compact. (3) STM movies acquired during thermal O2 exposure indicate that a complex mechanism involving chemisorption initiated rearrangement of preexisting oxygen islands leads to the asymmetric and elongated island shapes. The overall mechanism for the oxidation of the Al(111) surface can be summarized in three regimes. Low coverage is dominated by widely isolated small oxygen features (<3 O atoms) where normal dissociative chemisorption and oxygen abstraction mechanisms are present. At 20%-40% monolayer coverage, additional oxygen chemisorption induces rearrangement of preexisting islands to form free-energy minimum island shapes. At greater than ˜40% monolayer coverage, the apparent surface oxygen coverage asymptotes corresponding to the conversion of the 2D islands to 3D Al2O3 surface crystallites. The rearrangement of oxygen islands on the surface to form the observed islands indicates that there is a short-range oxygen-oxygen attractive potential and a long-range oxygen-oxygen repulsive potential.

Fluorinated silica microchannel surfaces

DOEpatents

Kirby, Brian J.; Shepodd, Timothy Jon

2005-03-15

A method for surface modification of microchannels and capillaries. The method produces a chemically inert surface having a lowered surface free energy and improved frictional properties by attaching a fluorinated alkane group to the surface. The coating is produced by hydrolysis of a silane agent that is functionalized with either alkoxy or chloro ligands and an uncharged C.sub.3 -C.sub.10 fluorinated alkane chain. It has been found that the extent of surface coverage can be controlled by controlling the contact time from a minimum of about 2 minutes to a maximum of 120 minutes for complete surface coverage.

Four-Dimensional Patient Dose Reconstruction for Scanned Ion Beam Therapy of Moving Liver Tumors

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

Richter, Daniel; TU Darmstadt, Darmstadt; Saito, Nami

2014-05-01

Purpose: Estimation of the actual delivered 4-dimensional (4D) dose in treatments of patients with mobile hepatocellular cancer with scanned carbon ion beam therapy. Methods and Materials: Six patients were treated with 4 fractions to a total relative biological effectiveness (RBE)–weighted dose of 40 Gy (RBE) using a single field. Respiratory motion was addressed by dedicated margins and abdominal compression (5 patients) or gating (1 patient). 4D treatment dose reconstructions based on the treatment records and the measured motion monitoring data were performed for the single-fraction dose and a total of 17 fractions. To assess the impact of uncertainties in the temporalmore » correlation between motion trajectory and beam delivery sequence, 3 dose distributions for varying temporal correlation were calculated per fraction. For 3 patients, the total treatment dose was formed from the fractional distributions using all possible combinations. Clinical target volume (CTV) coverage was analyzed using the volumes receiving at least 95% (V{sub 95}) and 107% (V{sub 107}) of the planned doses. Results: 4D dose reconstruction based on daily measured data is possible in a clinical setting. V{sub 95} and V{sub 107} values for the single fractions ranged between 72% and 100%, and 0% and 32%, respectively. The estimated total treatment dose to the CTV exhibited improved and more robust dose coverage (mean V{sub 95} > 87%, SD < 3%) and overdose (mean V{sub 107} < 4%, SD < 3%) with respect to the single-fraction dose for all analyzed patients. Conclusions: A considerable impact of interplay effects on the single-fraction CTV dose was found for most of the analyzed patients. However, due to the fractionated treatment, dose heterogeneities were substantially reduced for the total treatment dose. 4D treatment dose reconstruction for scanned ion beam therapy is technically feasible and may evolve into a valuable tool for dose assessment.« less

Limiting diffusion current at rotating disk electrode with dense particle layer.

PubMed

Weroński, P; Nosek, M; Batys, P

2013-09-28

Exploiting the concept of diffusion permeability of multilayer gel membrane and porous multilayer we have derived a simple analytical equation for the limiting diffusion current at rotating disk electrode (RDE) covered by a thin layer with variable tortuosity and porosity, under the assumption of negligible convection in the porous film. The variation of limiting diffusion current with the porosity and tortuosity of the film can be described in terms of the equivalent thickness of stagnant solution layer, i.e., the average ratio of squared tortuosity to porosity. In case of monolayer of monodisperse spherical particles, the equivalent layer thickness is an algebraic function of the surface coverage. Thus, by means of cyclic voltammetry of RDE with a deposited particle monolayer we can determine the monolayer surface coverage. The effect of particle layer adsorbed on the surface of RDE increases non-linearly with surface coverage. We have tested our theoretical results experimentally by means of cyclic voltammetry measurements of limiting diffusion current at the glassy carbon RDE covered with a monolayer of 3 μm silica particles. The theoretical and experimental results are in a good agreement at the surface coverage higher than 0.7. This result suggests that convection in a monolayer of 3 μm monodisperse spherical particles is negligibly small, in the context of the coverage determination, in the range of very dense particle layers.

Quantized Advantages to a Proposed Satellite at L5 from Simulated Synoptic Magnetograms

NASA Astrophysics Data System (ADS)

Schwarz, A. M.; Petrie, G. J. D.

2017-12-01

The dependency the Earth and its inhabitants have on the Sun is delicate and complex and sometimes dangerous. At the NSO, we provide 24/7 coverage of the full-disk solar magnetic field used in solar forecasting, however this only includes data from the Sun's Earth facing side. Ideally we would like to have constant coverage of the entire solar surface, however we are limited in our solar viewing angle. Our project attempts to quantify the advantages of full-disk magnetograms from a proposed satellite at L5. With instrumentation at L5 we would have an additional 60 degrees of solar surface coverage not seen from Earth. These 60 degrees crucially contain the solar longitudes that are about to rotate towards Earth. Using a full-surface flux-transport model of the evolving solar photospheric field, I created a simulation of full-disk observations from Earth and L5. Using standard solar forecasting tools we quantify the relative accuracy of the Earth-Only and Earth plus L5 forecasts relative to the "ground truth" of the full surface field model, the ideal case. My results gauge exactly how much polar coverage is improved, contrast the spherical multipoles of each model, and use a Potential-Field Source-Surface (PFSS) magnetic field analysis model to find comparisons in the neutral lines and open field coverage.

Self-organisation of adsorbed nitrogen on (100) and (410) copper faces: a SPA-LEED study

NASA Astrophysics Data System (ADS)

Sotto, M.; Croset, B.

2000-08-01

The self-organisation of nitrogen nanostructures at different coverages on a (100) copper surface is studied by spot profile analysing low energy electron diffraction (SPA-LEED). The existence of two surface states with a domain of coverage leading to coexistence of the two states as already observed by scanning tunneling microscopy (STM) [Leibsle and Robinson, Phys. Rev. B 47 (1993) 15 865; Leibsle et al., Surf. Sci. 317 (1994) 309; Leibsle, Surf. Sci. 440 (1999) L835] and low energy electron diffraction (LEED) [Sotto et al., Surf. Sci. 371 (1997) 36] is confirmed. In the first state, the surface is organised in square shape islands separated by bare copper <100> rows. This work shows that the surface periodicity depends on the preparation of the nitrogen overlayer. When nitrogen coverage is obtained by adsorption with a sample temperature near 320°C, the periodicity does not vary with coverage and is found to be equal to 55±2 Å. At coverages below 0.75±0.05 and if the nitrogen is deposited at room temperature followed by an anneal at 320°C, during long periods of time, the periodicity evolves to large values (˜97±3 Å). During thermal desorption, the long range order with decreasing coverage is maintained but the surface periodicity also evolves continuously to large values (˜100 Å). However, a surface periodicity of 55±2 Å seems to be a characteristic length of this system. The second surface state corresponds to large c(2×2)N domains separated by <110> trenches [Leibsle and Robinson, Phys. Rev. B 47 (1993) 15 865; Leibsle et al., Surf. Sci. 317 (1994) 309; Leibsle, Surf. Sci. 440 (1999) L835]. Nitrogen adsorption on a (410) stepped face induces a reconstruction into a (810) face with double step height. The complex behaviour of this film growth is discussed in the light of existing theories about the driving force leading to nanostructuration.

Land Surface Microwave Emissivities Derived from AMSR-E and MODIS Measurements with Advanced Quality Control

NASA Technical Reports Server (NTRS)

Moncet, Jean-Luc; Liang, Pan; Galantowicz, John F.; Lipton, Alan E.; Uymin, Gennady; Prigent, Catherine; Grassotti, Christopher

2011-01-01

A microwave emissivity database has been developed with data from the Advanced Microwave Scanning Radiometer-EOS (AMSR-E) and with ancillary land surface temperature (LST) data from the Moderate Resolution Imaging Spectroradiometer (MODIS) on the same Aqua spacecraft. The primary intended application of the database is to provide surface emissivity constraints in atmospheric and surface property retrieval or assimilation. An additional application is to serve as a dynamic indicator of land surface properties relevant to climate change monitoring. The precision of the emissivity data is estimated to be significantly better than in prior databases from other sensors due to the precise collocation with high-quality MODIS LST data and due to the quality control features of our data analysis system. The accuracy of the emissivities in deserts and semi-arid regions is enhanced by applying, in those regions, a version of the emissivity retrieval algorithm that accounts for the penetration of microwave radiation through dry soil with diurnally varying vertical temperature gradients. These results suggest that this penetration effect is more widespread and more significant to interpretation of passive microwave measurements than had been previously established. Emissivity coverage in areas where persistent cloudiness interferes with the availability of MODIS LST data is achieved using a classification-based method to spread emissivity data from less-cloudy areas that have similar microwave surface properties. Evaluations and analyses of the emissivity products over homogeneous snow-free areas are presented, including application to retrieval of soil temperature profiles. Spatial inhomogeneities are the largest in the vicinity of large water bodies due to the large water/land emissivity contrast and give rise to large apparent temporal variability in the retrieved emissivities when satellite footprint locations vary over time. This issue will be dealt with in the future by including a water fraction correction. Also note that current reliance on the MODIS day-night algorithm as a source of LST limits the coverage of the database in the Polar Regions. We will consider relaxing the current restriction as part of future development.

Theoretical study of the ammonia nitridation rate on an Fe (100) surface: A combined density functional theory and kinetic Monte Carlo study

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

Yeo, Sang Chul; Lee, Hyuck Mo, E-mail: hmlee@kaist.ac.kr; Lo, Yu Chieh

2014-10-07

Ammonia (NH{sub 3}) nitridation on an Fe surface was studied by combining density functional theory (DFT) and kinetic Monte Carlo (kMC) calculations. A DFT calculation was performed to obtain the energy barriers (E{sub b}) of the relevant elementary processes. The full mechanism of the exact reaction path was divided into five steps (adsorption, dissociation, surface migration, penetration, and diffusion) on an Fe (100) surface pre-covered with nitrogen. The energy barrier (E{sub b}) depended on the N surface coverage. The DFT results were subsequently employed as a database for the kMC simulations. We then evaluated the NH{sub 3} nitridation rate onmore » the N pre-covered Fe surface. To determine the conditions necessary for a rapid NH{sub 3} nitridation rate, the eight reaction events were considered in the kMC simulations: adsorption, desorption, dissociation, reverse dissociation, surface migration, penetration, reverse penetration, and diffusion. This study provides a real-time-scale simulation of NH{sub 3} nitridation influenced by nitrogen surface coverage that allowed us to theoretically determine a nitrogen coverage (0.56 ML) suitable for rapid NH{sub 3} nitridation. In this way, we were able to reveal the coverage dependence of the nitridation reaction using the combined DFT and kMC simulations.« less

Surface Magnetism of Cobalt Nanoislands Controlled by Atomic Hydrogen

DOE PAGES

Park, Jewook; Park, Changwon; Yoon, Mina; ...

2016-12-01

Controlling the spin states of the surface and interface is key to spintronic applications of magnetic materials. We report the evolution of surface magnetism of Co nanoislands on Cu(111) upon hydrogen adsorption and desorption with the hope of realizing reversible control of spin-dependent tunneling. Spin-polarized scanning tunneling microscopy reveals three types of hydrogen-induced surface superstructures, 1H-(2 × 2), 2H-(2 × 2), and 6H-(3 × 3), with increasing H coverage. The prominent magnetic surface states of Co, while being preserved at low H coverage, become suppressed as the H coverage level increases, which can then be recovered by H desorption. First-principlesmore » calculations reveal the origin of the observed magnetic surface states by capturing the asymmetry between the spin-polarized surface states and identify the role of hydrogen in controlling the magnetic states. This study offers new insights into the chemical control of magnetism in low-dimensional systems.« less

Rescuing Those Left Behind: Recovering and Characterizing Underdigested Membrane and Hydrophobic Proteins To Enhance Proteome Measurement Depth

DOE PAGES

Giannone, Richard J.; Wurch, Louie L.; Podar, Mircea; ...

2015-06-25

The marine archaeon Nanoarchaeum equitans is dependent on direct physical contact with its host, the hyperthermophile Ignicoccus hospitalis. It is thought that this interaction is membrane-associated, involving a myriad of membrane-anchored proteins; proteomic efforts to better characterize this difficult to analyze interface are paramount to uncovering the mechanism of their association. By extending multienzyme digestion strategies that use sample filtration to recover underdigested proteins for reprocessing/consecutive proteolytic digestion, we applied chymotrypsin to redigest the proteinaceous material left over after initial proteolysis with trypsin of sodium dodecyl sulfate (SDS)-extracted I. hospitalis-N. equitansproteins. We show that proteins with increased hydrophobic character, includingmore » membrane proteins with multiple transmembrane helices, are enriched and recovered in the underdigested fraction. Chymotryptic reprocessing provided significant sequence coverage gains in both soluble and hydrophobic proteins alike, with the latter benefiting more so in terms of membrane protein representation. Moreover, these gains were despite a large proportion of high-quality peptide spectra remaining unassigned in the underdigested fraction suggesting high levels of protein modification on these often surface-exposed proteins. Importantly, these gains were achieved without applying extensive fractionation strategies usually required for thorough characterization of membrane-associated proteins and were facilitated by the generation of a distinct, complementary set of peptides that aid in both the identification and quantitation of this important, under-represented class of proteins.« less

Rescuing Those Left Behind: Recovering and Characterizing Underdigested Membrane and Hydrophobic Proteins To Enhance Proteome Measurement Depth.

PubMed

Giannone, Richard J; Wurch, Louie L; Podar, Mircea; Hettich, Robert L

2015-08-04

The marine archaeon Nanoarchaeum equitans is dependent on direct physical contact with its host, the hyperthermophile Ignicoccus hospitalis. As this interaction is thought to be membrane-associated, involving a myriad of membrane-anchored proteins, proteomic efforts to better characterize this difficult to analyze interface are paramount to uncovering the mechanism of their association. By extending multienzyme digestion strategies that use sample filtration to recover underdigested proteins for reprocessing/consecutive proteolytic digestion, we applied chymotrypsin to redigest the proteinaceous material left over after initial proteolysis with trypsin of sodium dodecyl sulfate (SDS)-extracted I. hospitalis-N. equitans proteins. Using this method, we show that proteins with increased hydrophobic character, including membrane proteins with multiple transmembrane helices, are enriched and recovered in the underdigested fraction. Chymotryptic reprocessing provided significant sequence coverage gains in both soluble and hydrophobic proteins alike, with the latter benefiting more so in terms of membrane protein representation. These gains were despite a large proportion of high-quality peptide spectra remaining unassigned in the underdigested fraction suggesting high levels of protein modification on these often surface-exposed proteins. Importantly, these gains were achieved without applying extensive fractionation strategies usually required for thorough characterization of membrane-associated proteins and were facilitated by the generation of a distinct, complementary set of peptides that aid in both the identification and quantitation of this important, under-represented class of proteins.

Growth and characterization of InAs sub-monolayer quantum dots with varying fractional coverage

NASA Astrophysics Data System (ADS)

Mukherjee, S.; Pradhan, A.; Mukherje, S.; Maitra, T.; Sengupta, S.; Chakrabarti, S.; Nayak, A.; Bhunia, S.

2018-04-01

We have studied the optical properties of InAs sub monolayer (SML) quantum dots in GaAs quantum well with InAs average deposition below one monolayer (ML) [0.3 - 0.8 ML] in Molecular Beam Epitaxy (MBE) growth system. The samples have exhibited sharp photoluminescence peak at low temperature (3.3 K) which could be tuned in the near infrared (NIR) region (1.42 eV-1.47 eV) by controlling the InAs SML coverage.

X-ray photoelectron spectroscopy study of para-substituted benzoic acids chemisorbed to aluminum oxide thin films

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

Kreil, Justin; Ellingsworth, Edward; Szulczewski, Greg

A series of para-substituted, halogenated (F, Cl, Br, and I) benzoic acid monolayers were prepared on the native oxide of aluminum surfaces by solution self-assembly and spin-coating techniques. The monolayers were characterized by x-ray photoelectron spectroscopy (XPS) and water contact angles. Several general trends are apparent. First, the polarity of the solvent is critical to monolayer formation. Protic polar solvents produced low coverage monolayers; in contrast, nonpolar solvents produced higher coverage monolayers. Second, solution deposition yields a higher surface coverage than spin coating. Third, the thickness of the monolayers determined from XPS suggests the plane of the aromatic ring ismore » perpendicular to the surface with the carboxylate functional group most likely binding in a bidentate chelating geometry. Fourth, the saturation coverage (∼2.7 × 10{sup 14} molecules cm{sup −2}) is independent of the para-substituent.« less

A CONTINUUM HARD-SPHERE MODEL OF PROTEIN ADSORPTION

PubMed Central

Finch, Craig; Clarke, Thomas; Hickman, James J.

2012-01-01

Protein adsorption plays a significant role in biological phenomena such as cell-surface interactions and the coagulation of blood. Two-dimensional random sequential adsorption (RSA) models are widely used to model the adsorption of proteins on solid surfaces. Continuum equations have been developed so that the results of RSA simulations can be used to predict the kinetics of adsorption. Recently, Brownian dynamics simulations have become popular for modeling protein adsorption. In this work a continuum model was developed to allow the results from a Brownian dynamics simulation to be used as the boundary condition in a computational fluid dynamics (CFD) simulation. Brownian dynamics simulations were used to model the diffusive transport of hard-sphere particles in a liquid and the adsorption of the particles onto a solid surface. The configuration of the adsorbed particles was analyzed to quantify the chemical potential near the surface, which was found to be a function of the distance from the surface and the fractional surface coverage. The near-surface chemical potential was used to derive a continuum model of adsorption that incorporates the results from the Brownian dynamics simulations. The equations of the continuum model were discretized and coupled to a CFD simulation of diffusive transport to the surface. The kinetics of adsorption predicted by the continuum model closely matched the results from the Brownian dynamics simulation. This new model allows the results from mesoscale simulations to be incorporated into micro- or macro-scale CFD transport simulations of protein adsorption in practical devices. PMID:23729843

Nanopatterning of Si(001) for bottom-up fabrication of nanostructures.

PubMed

Hu, Yanfang; Kalachahi, Hedieh Hosseinzadeh; Das, Amal K; Koch, Reinhold

2012-04-27

The epitaxial growth of Si on Si(001) under conditions at which the (2 × n) superstructure is forming has been investigated by scanning tunneling microscopy and Monte Carlo simulations. Our experiments reveal a periodic change of the surface morphology with the surface coverage of Si. A regular (2 × n) stripe pattern is observed at coverages of 0.7-0.9 monolayers that periodically alternates with less dense surface structures at lower Si surface coverages. The MC simulations show that the growth of Si is affected by step-edge barriers, which favors the formation of a rather uniform two-dimensional framework-like configuration. Subsequent deposition of Ge onto the (2 × n) stripe pattern yields a dense array of small Ge nanostructures.

The Expected Performance from the NASA OCO-2 Mission

NASA Astrophysics Data System (ADS)

Crisp, D.; Eldering, A.; Gunson, M. R.; Pollock, H.

2013-12-01

The NASA Orbiting Carbon Observatory-2 (OCO-2) will be launched from Vandenberg Air Force Base on a Delta-II 7320 launch vehicle as early as 1 July 2014. Once deployed in the 705-km Afternoon Constellation (A-Train), it will collect the measurements needed to estimate the column-averaged, atmospheric carbon dioxide (CO2) dry air mole fraction (XCO2) with improved precision, resolution, and coverage. The OCO-2 spacecraft carries and points a 3-channel, imaging, grating spectrometer that collects high resolution spectra of reflected sunlight in the 765 nm O2 A-band and in the CO2 bands centered near 1610 and 2060 nm. These spectral ranges overlap those used by the Japanese Greenhouse gases Observing SATellite (GOSAT) TANSO-FTS, the current standard in space-based XCO2 measurements. The OCO-2 instrument performance was extensively characterized during pre-launch testing, facilitating comparisons with the TANSO-FTS. OCO-2 has slightly lower spectral resolution, but the far wings of its instrument line shape functions decay more rapidly, such that it yields similar spectral contrast within O2 and CO2 bands. The instruments have similar continuum signal to noise ratios (SNR) for bright scenes, but the OCO-2 instrument has higher SNR at low light levels associated with absorption lines or dark surfaces. The OCO-2 spectrometers will collect 24 soundings per second, yielding up to a million soundings per day over the sunlit hemisphere. For routine operations, the OCO-2 instrument boresight will be pointed at the local nadir or at the 'glint spot,' where sunlight is specularly reflected from the surface. Nadir observations provide the best spatial resolution and are expected to yield more cloud-free soundings. Glint observations will have much better SNR over dark, ocean surfaces. The nominal plan is to alternate between glint and nadir observations on successive 16-day ground-track repeat cycles, so that the entire sunlit hemisphere is sampled in both modes at 32-day intervals. The instrument's rapid sampling, small (< 3 km2) sounding footprint, and high SNR, combined with the spacecraft's ability to point the instrument's aperture toward the glint spot over the entire sunlit hemisphere, are expected to provide more complete coverage of the ocean, cloudy regions, and high latitude continents. While the OCO-2 measurement capabilities provide opportunities to improve the XCO2 precision, resolution, and coverage, they also pose some formidable challenges for calibration, retrieval, and validation. To fully exploit this instrument's capabilities, the 24,000 spectral/spatial channels must be cross-calibrated to within a fraction of 1%. Substantial increases in algorithm speed and more efficient data screening techniques are needed to fully utilize the much larger data volume. Finally, a comprehensive validation program will be needed to ensure the accuracy of the retrieved XCO2 estimates. This presentation will summarize the OCO-2 measurement capabilities and observation strategies, and the methods adopted to address these challenges.

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

PubMed

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

2018-06-13

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

Surfactant properties of oxygen in the homoepitaxial growth of Fe: a MDS study

NASA Astrophysics Data System (ADS)

Moroni, R.; Bisio, F.; Gussoni, A.; Canepa, M.; Mattera, L.

2001-06-01

The growth of ultra thin iron films (up to a thickness of 5-6 ML) on O(1×1)-Fe/Ag(0 0 1) has been investigated by means of He reflectivity ( RHe) and metastable de-excitation spectroscopy. The presence of oxygen induces a quasi-ideal layer-by-layer growth at variance with the case of the homoepitaxial growth of iron on Fe(0 0 1). The surface electronic density of states suddenly changes upon the deposition of the first half of a monolayer. After the sudden change in the first stages of the growth, the surface density of states of both O 2p and Fe 3d states remains essentially unchanged, irrespectively of the thickness of the deposited film. This provides a clear indication that oxygen floats at the surface acting as a surfactant for the growth of iron on O(1×1)-Fe/Ag(0 0 1). The stationary fraction of oxygen that remains on the topmost layer as growth proceeds depends on the substrate temperature. Post-growth annealing up to 650 K restores the initial coverage of oxygen and the ordered O(1×1) phase.

Land and federal mineral ownership coverage for southern Wyoming

USGS Publications Warehouse

Biewick, L.H.; Mercier, T.J.; Saber, T.T.; Urbanowski, S.R.; Neasloney, Larry

1999-01-01

This Arc/Info coverage contains land status and Federal mineral ownership for approximately 37,800 square miles in southern Wyoming. The polygon coverage (which is also provided here as a shapefile) contains two attributes of ownership information for each polygon. One attribute indicates where the surface is State owned, privately owned, or, if Federally owned, which Federal agency manages the land surface. The other attribute indicates which minerals, if any, are owned by the Federal govenment. This coverage is based on land status and Federal mineral ownership data compiled by the U.S. Geological Survey (USGS) and the Wyoming State Bureau of Land Management (BLM) at a scale of 1:24,000. This coverage was compiled primarily to serve the USGS National Oil and Gas Resource Assessment and National Coal Resource Assessment Projects in the Northern Rocky Mountains/Great Plains Region.

The impact of reforestation in the northeast United States on precipitation and surface temperature

NASA Astrophysics Data System (ADS)

Clark, Allyson

Since the 1920s, forest coverage in the northeastern United States has recovered from disease, clearing for agricultural and urban development, and the demands of the timber industry. Such a dramatic change in ground cover can influence heat and moisture fluxes to the atmosphere, as measured in altered landscapes in Australia, Israel, and the Amazon. In this study, the impacts of recent reforestation in the northeastern United States on summertime precipitation and surface temperature were quantified by comparing average modern values to 1950s values. Weak positive (negative) relationships between reforestation and average monthly precipitation and daily minimum temperatures (average daily maximum surface temperature) were found. There was no relationship between reforestation and average surface temperature. Results of the observational analysis were compared with results obtained from reforestation scenarios simulated with the BUGS5 global climate model. The single difference between the model runs was the amount of forest coverage in the northeast United States; three levels of forest were defined - a grassland state, with 0% forest coverage, a completely forested state, with approximately 100% forest coverage, and a control state, with forest coverage closely resembling modern forest coverage. The three simulations were compared, and had larger magnitude average changes in precipitation and in all temperature variables. The difference in magnitudes between the model simulations observations was much larger than the difference in the amount of reforestation in each case. Additionally, unlike in observations, a negative relationship was found between average daily minimum temperature and amount of forest coverage, implying that additional factors influence temperature and precipitation in the real world that are not accounted for in the model.

Zn2+ and Sr2+ Adsorption at the TiO2 (110)-Electrolyte Interface: Influence of Ionic Strength, Coverage, and Anions

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

Zhang,Z.; Fenter, P.; Cheng, L.

2006-01-01

The X-ray standing wave technique was used to probe the sensitivity of Zn{sup 2+} and Sr{sup 2+} ion adsorption to changes in both the adsorbed ion coverage and the background electrolyte species and concentrations at the rutile ({alpha}-TiO{sub 2}) (110)-aqueous interface. Measurements were made with various background electrolytes (NaCl, NaTr, RbCl, NaBr) at concentrations as high as 1 m. The results demonstrate that Zn{sub 2+} and Sr{sub 2+} reside primarily in the condensed layer and that the ion heights above the Ti-O surface plane are insensitive to ionic strength and the choice of background electrolyte (with <0.1 Angstroms changes overmore » the full compositional range). The lack of any specific anion coadsorption upon probing with Br{sup -}, coupled with the insensitivity of Zn{sup 2+} and Sr{sup 2+} cation heights to changes in the background electrolyte, implies that anions do not play a significant role in the adsorption of these divalent metal ions to the rutile (110) surface. Absolute ion coverage measurements for Zn{sup 2+} and Sr{sup 2+} show a maximum Stern-layer coverage of {approx}0.5 monolayer, with no significant variation in height as a function of Stern-layer coverage. These observations are discussed in the context of Gouy-Chapman-Stern models of the electrical double layer developed from macroscopic sorption and pH-titration studies of rutile powder suspensions. Direct comparison between these experimental observations and the MUltiSIte Complexation (MUSIC) model predictions of cation surface coverage as a function of ionic strength revealed good agreement between measured and predicted surface coverages with no adjustable parameters.« less

What are the associated parameters and temporal coverage?

Atmospheric Science Data Center

2014-12-08

... Extinction Coefficient, Cloud Vertical Profile, Radar-only Liquid Water Content, Radar-only Liquid Ice Content, Vertical Flux Profile, ... ISCCP-D2like Cloud fraction, Effective Pressure, Temperature, optical depth, IWP/LWP, particle size, IR Emissivity in ...

A review of high-temperature polymer electrolyte membrane fuel-cell (HT-PEMFC)-based auxiliary power units for diesel-powered road vehicles

NASA Astrophysics Data System (ADS)

Liu, Yongfeng; Lehnert, Werner; Janßen, Holger; Samsun, Remzi Can; Stolten, Detlef

2016-04-01

This paper presents an extensive review of research on the development of auxiliary power units with enhanced reformate tolerance for high temperature polymer electrolyte membrane fuel cells (HT-PEMFCs). Developments in diesel reforming for fuel cells as auxiliary power units (APUs), single fuel cells and stacks and systems are outlined in detail and key findings are presented. Summaries of HT-PEMFC APU applications and start-up times for HT-PEMFC systems are then given. A summary of cooling HT-PEMFC stacks using a classic schematic diagram of a 24-cell HT-PEMFC stack, with a cooling plate for every third cell, is also presented as part of a stack analysis. Finally, a summary of CO tolerances for fuel cells is given, along with the effects of different CO volume fractions on polarization curves, the fraction of CO coverage, hydrogen coverage, anode overpotential and cell potential.

Structural properties of oligonucleotide monolayers on gold surfaces probed by fluorescence investigations.

PubMed

Rant, Ulrich; Arinaga, Kenji; Fujita, Shozo; Yokoyama, Naoki; Abstreiter, Gerhard; Tornow, Marc

2004-11-09

We present optical investigations on the conformation of oligonucleotide layers on Au surfaces. Our studies concentrate on the effect of varying surface coverage densities on the structural properties of layers of 12- and 24mer single-stranded DNA, tethered to the Au surface at one end while being labeled with a fluorescent marker at the opposing end. The distance-dependent energy transfer from the marker dye to the metal surface, which causes quenching of the observed fluorescence, is used to provide information on the orientation of the DNA strands relative to the surface. Variations in the oligonucleotide coverage density, as determined from electrochemical quantification, over 2 orders of magnitude are achieved by employing different preparation conditions. The observed enhancement in fluorescence intensity with increasing DNA coverage can be related to a model involving mutual steric interactions of oligonucleotides on the surface, as well as fluorescence quenching theory. Finally, the applicability of the presented concepts for investigations of heterogeneous monolayers is demonstrated by means of studying the coadsorption of mercaptohexanol onto DNA-modified Au surfaces.

Early stages of Cs adsorption mechanism for GaAs nanowire surface

NASA Astrophysics Data System (ADS)

Diao, Yu; Liu, Lei; Xia, Sihao; Feng, Shu

2018-03-01

In this study, the adsorption mechanism of Cs adatoms on the (100) surface of GaAs nanowire with [0001] growth direction is investigated utilizing first principles method based on density function theory. The adsorption energy, work function, atomic structure and electronic property of clean surface and Cs-covered surfaces with different coverage are discussed. Results show that when only one Cs is adsorbed on the surface, the most favorable adsorption site is BGa-As. With increasing Cs coverage, work function gradually decreases and gets its minimum at 0.75 ML, then rises slightly when Cs coverage comes to 1 ML, indicating the existence of 'Cs-kill' phenomenon. According to further analysis, Cs activation process can effectively reduce the work function due to the formation of a downward band bending region and surface dipole moment directing from Cs adatom to the surface. As Cs coverage increases, the conduction band minimum and valence band maximum both shift towards lower energy side, contributed by the orbital hybridization between Cs-5s, Cs-5p states and Ga-4p, As-4s, As-4p states near Fermi level. The theoretical calculations and analysis in this study can improve the Cs activation technology for negative electron affinity optoelectronic devices based on GaAs nanowires, and also provide a reference for the further Cs/O or Cs/NF3 activation process.

Trauma-induced insurance instability: Variation in insurance coverage for patients who experience readmission after injury.

PubMed

Rajasingh, Charlotte Mary; Weiser, Thomas G; Knowlton, Lisa M; Tennakoon, Lakshika; Spain, David A; Staudenmayer, Kristan L

2018-06-01

Traumatic injuries result in a significant disruption to patients' lives, including their ability to work, which may place patients at risk of losing insurance coverage. Our objective was to evaluate the impact of injury on insurance status. We hypothesized that trauma patients with ongoing health needs experience changes in coverage. We used the Nationwide Readmission Database (2013-2014), a nationally representative sample of readmissions in the United States. We included patients aged 27 years to 64 years admitted with any diagnosis of trauma with at least one readmission within 6 months. Patients on Medicare and with missing payer information were excluded. The primary outcome was payer status. 57,281 patients met inclusion criteria, 11,006 (19%) changed insurance payer at readmission. Of these, 21% (n = 2,288) became uninsured, 25% (n = 2,773) gained coverage, and 54% (n = 5,945) switched insurance. Medicaid and Medicare gained the largest fraction of patients (from 16% to 30% and 0% to 18%, respectively), with a decrease in private payer coverage (37% to 17%). In multivariate analysis, patients who were younger (27-35 years vs. 56-64 years; odds ratio [OR], 1.30; p < 0.001); lived in a zip code with average income in the lowest quartile (vs. the highest quartile; OR, 1.37; p < 0.001); and had three or more comorbidities (vs. none; OR, 1.61; p < 0.001) were more likely to experience a change in insurance. Approximately one fifth of trauma patients who are readmitted within 6 months of their injury experience a change in insurance coverage. Most switch between insurers, but nearly a quarter lose their insurance. The government adopts a large fraction of these patients, indicating a growing reliance on government programs like Medicaid. Trauma patients face challenges after injury, and a change in insurance may add to this burden. Future policy and quality improvement initiatives should consider addressing this challenge. Epidemiologic, level III.

22 CFR 126.5 - Canadian exemptions.

Code of Federal Regulations, 2012 CFR

2012-04-01

... such persons publicly available through the Internet Web site of the Directorate of Defense Trade... coverage area on the surface of the earth less than 200 nautical miles in diameter, where “coverage area” is defined as that area on the surface of the earth that is illuminated by the main beam width of the...

Extent of hydrogen coverage of Si(001) under chemical vapor deposition conditions from ab initio approaches

NASA Astrophysics Data System (ADS)

Rosenow, Phil; Tonner, Ralf

2016-05-01

The extent of hydrogen coverage of the Si(001) c(4 × 2) surface in the presence of hydrogen gas has been studied with dispersion corrected density functional theory. Electronic energy contributions are well described using a hybrid functional. The temperature dependence of the coverage in thermodynamic equilibrium was studied computing the phonon spectrum in a supercell approach. As an approximation to these demanding computations, an interpolated phonon approach was found to give comparable accuracy. The simpler ab initio thermodynamic approach is not accurate enough for the system studied, even if corrections by the Einstein model for surface vibrations are considered. The on-set of H2 desorption from the fully hydrogenated surface is predicted to occur at temperatures around 750 K. Strong changes in hydrogen coverage are found between 1000 and 1200 K in good agreement with previous reflectance anisotropy spectroscopy experiments. These findings allow a rational choice for the surface state in the computational treatment of chemical reactions under typical metal organic vapor phase epitaxy conditions on Si(001).

Extent of hydrogen coverage of Si(001) under chemical vapor deposition conditions from ab initio approaches

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

Rosenow, Phil; Tonner, Ralf, E-mail: tonner@chemie.uni-marburg.de

2016-05-28

The extent of hydrogen coverage of the Si(001) c(4 × 2) surface in the presence of hydrogen gas has been studied with dispersion corrected density functional theory. Electronic energy contributions are well described using a hybrid functional. The temperature dependence of the coverage in thermodynamic equilibrium was studied computing the phonon spectrum in a supercell approach. As an approximation to these demanding computations, an interpolated phonon approach was found to give comparable accuracy. The simpler ab initio thermodynamic approach is not accurate enough for the system studied, even if corrections by the Einstein model for surface vibrations are considered. Themore » on-set of H{sub 2} desorption from the fully hydrogenated surface is predicted to occur at temperatures around 750 K. Strong changes in hydrogen coverage are found between 1000 and 1200 K in good agreement with previous reflectance anisotropy spectroscopy experiments. These findings allow a rational choice for the surface state in the computational treatment of chemical reactions under typical metal organic vapor phase epitaxy conditions on Si(001).« less

Generalized adsorption isotherms for molecular and dissociative adsorption of a polar molecular species on two polar surface geometries: Perovskite (100) (Pm-3m) and fluorite (111) (Fm-3m)

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

Danielson, Thomas; Hin, Celine; Savara, Aditya

Lattice based kinetic Monte Carlo (KMC) simulations have been used to determine a functional form for the second order adsorption isotherms on two commonly investigated crystal surfaces: the (111) fluorite surface and the (100) perovskite surface which has the same geometric symmetry as the NaCl (100) surface. The functional form is generalized to be applicable to all values of the equilibrium constant by a shift along the pressure axis. Functions have been determined for estimating the pressure at which a desired coverage would be achieved and for estimating the coverage at a certain pressure. The generalized form has been calculatedmore » by investigating the surface adsorbate coverage across a range of thermodynamic equilibrium constants that span the range 10-26 to 1013. Finally, the equations have been shown to be general for any value of the adsorption equilibrium constant.« less

Generalized adsorption isotherms for molecular and dissociative adsorption of a polar molecular species on two polar surface geometries: Perovskite (100) (Pm-3m) and fluorite (111) (Fm-3m)

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

Danielson, Thomas; Hin, Celine; Department of Mechanical Engineering, Virginia Polytechnic Institute and State University, Blacksburg, Virginia 24061

Lattice based kinetic Monte Carlo simulations have been used to determine a functional form for the second order adsorption isotherms on two commonly investigated crystal surfaces: the (111) fluorite surface and the (100) perovskite surface which has the same geometric symmetry as the NaCl (100) surface. The functional form is generalized to be applicable to all values of the equilibrium constant by a shift along the pressure axis. Functions have been determined for estimating the pressure at which a desired coverage would be achieved and, conversely, for estimating the coverage at a certain pressure. The generalized form has been calculatedmore » by investigating the surface adsorbate coverage across a range of thermodynamic equilibrium constants that span the range 10{sup −26} to 10{sup 13}. The equations have been shown to be general for any value of the adsorption equilibrium constant.« less

Using Amphiphilic Copolymers and Nanoparticles to Organize Charged Biopolymers

NASA Astrophysics Data System (ADS)

Park, Jung Hyun; McConnell, Marla; Sun, Yujie; Goldman, Yale; Composto, Russell

2009-03-01

Nanoparticles (NPs) on amphiphilic random copolymers control filamentous actin (F-actin) attachment. 3-aminopropyltriethoxysilane (APTES) coated silica NPs are selectively bonded to acrylic acid groups on the surface of a poly(styrene-r-acrylic acid) (PS-r-PAA) film. By changing the concentration of NPs in the medium, the surface density of positively charged anchors is tuned. Using total internal reflection fluorescence (TIRF) microscopy, immobilization of F-actin is observed via electrostatic interaction with NPs at high NP coverages. Below a critical coverage, F-actin is weakly attached and undergoes thermal fluctuations near the surface. Another method to tune F-actin attachment is to use APTES to cross-link and create positive charge in PAA films. Here, the surface coverage of F-actin decreases as APTES concentration increases. This observation is attributed to an increase in surface roughness and hydrophobicity that reduces the effective surface sites that attract F-actin. In addition, in-situ G-actin polymerization to F-actin is observed on both the NP and cross-linked PAA templates.

Generalized adsorption isotherms for molecular and dissociative adsorption of a polar molecular species on two polar surface geometries: Perovskite (100) (Pm-3m) and fluorite (111) (Fm-3m)

DOE PAGES

Danielson, Thomas; Hin, Celine; Savara, Aditya

2016-08-10

Lattice based kinetic Monte Carlo (KMC) simulations have been used to determine a functional form for the second order adsorption isotherms on two commonly investigated crystal surfaces: the (111) fluorite surface and the (100) perovskite surface which has the same geometric symmetry as the NaCl (100) surface. The functional form is generalized to be applicable to all values of the equilibrium constant by a shift along the pressure axis. Functions have been determined for estimating the pressure at which a desired coverage would be achieved and for estimating the coverage at a certain pressure. The generalized form has been calculatedmore » by investigating the surface adsorbate coverage across a range of thermodynamic equilibrium constants that span the range 10-26 to 1013. Finally, the equations have been shown to be general for any value of the adsorption equilibrium constant.« less

Research on the effect of coverage rate on the surface quality in laser direct writing process

NASA Astrophysics Data System (ADS)

Pan, Xuetao; Tu, Dawei

2017-07-01

Direct writing technique is usually used in femtosecond laser two-photon micromachining. The size of the scanning step is an important factor affecting the surface quality and machining efficiency of micro devices. According to the mechanism of two-photon polymerization, combining the distribution function of light intensity and the free radical concentration theory, we establish the mathematical model of coverage of solidification unit, then analyze the effect of coverage on the machining quality and efficiency. Using the principle of exposure equivalence, we also obtained the analytic expressions of the relationship among the surface quality characteristic parameters of microdevices and the scanning step, and carried out the numerical simulation and experiment. The results show that the scanning step has little influence on the surface quality of the line when it is much smaller than the size of the solidification unit. However, with increasing scanning step, the smoothness of line surface is reduced rapidly, and the surface quality becomes much worse.

Formic Acid Dissociative Adsorption on NiO(111): Energetics and Structure of Adsorbed Formate

DOE PAGES

Zhao, Wei; Doyle, Andrew D.; Morgan, Sawyer E.; ...

2017-11-21

Here, the dissociative adsorption of carboxylic acids on oxide surfaces is important for understanding adsorbed carboxylates, which are important as intermediates in catalytic reactions, for the organo-functionalization of oxide surfaces, and in many other aspects of oxide surface chemistry. We present here the first direct experimental measurement of the heat of dissociative adsorption of any carboxylic acid on any single-crystal oxide surface. The enthalpy of the dissociative adsorption of formic acid, the simplest carboxylic acid, to produce adsorbed formate and hydrogen (as a surface hydroxyl) on a (2 × 2)-NiO(111) surface is measured by single crystal adsorption calorimetry. The differentialmore » heat of adsorption decreases with formic acid coverage from 202 to 99 kJ/mol at saturation (0.25 ML). The structure of the adsorbed products is clarified by density functional theory (DFT) calculations, which provide energies in reasonable agreement with the calorimetry. These calculations show that formic acid readily dissociates on both the oxygen and Ni terminations of the octapolar NiO(111) surfaces, donating its acid H to a surface lattice oxygen, while HCOO adsorbs preferentially with bridging-type geometry near the M-O 3/O-M 3 sites. The calculated energetics at low coverages agrees well with experimental data, while larger differences are observed at high coverage (0.25 ML). The large decrease in experimental heat of adsorption with coverage can be brought into agreement with the DFT energies if we assume that both types of octapolar surface terminations (O- and Ni-) are present on the starting surface.« less

Formic Acid Dissociative Adsorption on NiO(111): Energetics and Structure of Adsorbed Formate

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

Zhao, Wei; Doyle, Andrew D.; Morgan, Sawyer E.

Here, the dissociative adsorption of carboxylic acids on oxide surfaces is important for understanding adsorbed carboxylates, which are important as intermediates in catalytic reactions, for the organo-functionalization of oxide surfaces, and in many other aspects of oxide surface chemistry. We present here the first direct experimental measurement of the heat of dissociative adsorption of any carboxylic acid on any single-crystal oxide surface. The enthalpy of the dissociative adsorption of formic acid, the simplest carboxylic acid, to produce adsorbed formate and hydrogen (as a surface hydroxyl) on a (2 × 2)-NiO(111) surface is measured by single crystal adsorption calorimetry. The differentialmore » heat of adsorption decreases with formic acid coverage from 202 to 99 kJ/mol at saturation (0.25 ML). The structure of the adsorbed products is clarified by density functional theory (DFT) calculations, which provide energies in reasonable agreement with the calorimetry. These calculations show that formic acid readily dissociates on both the oxygen and Ni terminations of the octapolar NiO(111) surfaces, donating its acid H to a surface lattice oxygen, while HCOO adsorbs preferentially with bridging-type geometry near the M-O 3/O-M 3 sites. The calculated energetics at low coverages agrees well with experimental data, while larger differences are observed at high coverage (0.25 ML). The large decrease in experimental heat of adsorption with coverage can be brought into agreement with the DFT energies if we assume that both types of octapolar surface terminations (O- and Ni-) are present on the starting surface.« less

Maximizing tibial coverage is detrimental to proper rotational alignment.

PubMed

Martin, Stacey; Saurez, Alex; Ismaily, Sabir; Ashfaq, Kashif; Noble, Philip; Incavo, Stephen J

2014-01-01

Traditionally, the placement of the tibial component in total knee arthroplasty (TKA) has focused on maximizing coverage of the tibial surface. However, the degree to which maximal coverage affects correct rotational placement of symmetric and asymmetric tibial components has not been well defined and might represent an implant design issue worthy of further inquiry. Using four commercially available tibial components (two symmetric, two asymmetric), we sought to determine (1) the overall amount of malrotation that would occur if components were placed for maximal tibial coverage; and (2) whether the asymmetric designs would result in less malrotation than the symmetric designs when placed for maximal coverage in a computer model using CT reconstructions. CT reconstructions of 30 tibial specimens were used to generate three-dimensional tibia reconstructions with attention to the tibial anatomic axis, the tibial tubercle, and the resected tibial surface. Using strict criteria, four commercially available tibial designs (two symmetric, two asymmetric) were placed on the resected tibial surface. The resulting component rotation was examined. Among all four designs, 70% of all tibial components placed in orientation maximizing fit to resection surface were internally malrotated (average 9°). The asymmetric designs had fewer cases of malrotation (28% and 52% for the two asymmetric designs, 100% and 96% for the two symmetric designs; p < 0.001) and less malrotation on average (2° and 5° for the asymmetric designs, 14° for both symmetric designs; p < 0.001). Maximizing tibial coverage resulted in implant malrotation in a large percentage of cases. Given similar amounts of tibial coverage, correct rotational positioning was more likely to occur with the asymmetric designs. Malrotation of components is an important cause of failure in TKA. Priority should be given to correct tibial rotational positioning. This study suggested that it is easier to balance rotation and coverage with asymmetric tibial baseplates; clinical research will need to determine whether the observed difference affects patellar tracking, loosening rates, or the likelihood of revisions after TKA.

Novel monolithic enzymatic microreactor based on single-enzyme nanoparticles for highly efficient proteolysis and its application in multidimensional liquid chromatography.

PubMed

Gao, Mingxia; Zhang, Peng; Hong, Guangfeng; Guan, Xia; Yan, Guoquan; Deng, Chunhui; Zhang, Xiangmin

2009-10-30

In this work, a novel and facile monolithic enzymatic microreactor was prepared in the fused-silica capillary via a two-step procedure including surface acryloylation and in situ aqueous polymerization/immobilization to encapsulate a single enzyme, and its application to fast protein digestion through a direct matrix-assisted laser desorption/ionization time-of-flight mass spectrometer (MALDI-TOF-MS) analysis was demonstrated. At first, vinyl groups on the protein surface were generated by a mild acryloylation with N-acryloxysuccinimide in alkali buffer. Then, acryloylated enzyme was encapsulated into polyacrylates by free-radical copolymerization with acrylamide as the monomer, N,N'-methylenebisacrylamide as the cross-linker, and N,N,N',N'-tetramethylethylenediamine/ammonium persulfate as the initiator. Finally, polymers were immobilized onto the activated inner wall of capillaries via the reaction of vinyl groups. Capability of the enzyme-immobilized monolithic microreactor was demonstrated by myoglobin and bovine serum albumin as model proteins. The digestion products were characterized using MALDI-TOF-MS with sequence coverage of 94% and 29% observed. This microreactor was also applied to the analysis of fractions through two-dimensional separation of weak anion exchange/reversed-phase liquid chromatography of human liver extract. After a database search, 16 unique peptides corresponding to 3 proteins were identified when two RPLC fractions of human liver extract were digested by the microreactor. This opens a route for its future application in top-down proteomic analysis.

Local Dynamics of Chemical Kinetics at Different Phases of Nitriding Process

NASA Astrophysics Data System (ADS)

Özdemir, İ. Bedii; Akar, Firat

2015-08-01

The local dynamics of chemical kinetics at different phases of the nitriding process have been studied. The calculations are performed under the conditions where the temperature and composition data are provided experimentally from an in-service furnace. Results are presented in temporal variations of gas concentrations and the nitrogen coverage on the surface. It is shown that if it is available in the furnace, the adsorption of the N2 gas can seemingly start at temperatures as low as 200 °C. However, at such low temperatures, as the diffusion into the material is very unlikely, this results in the surface poisoning. It becomes clear that, contrary to common knowledge, the nitriding heat treatment with ammonia as a nitrogen-providing medium is possible at temperatures like 400 °C. Under these conditions, however, the presence of excess amounts of product gas N2 in the furnace atmosphere suppresses the forward kinetics in the nitriding process. It seems that the best operating point in the nitriding heat treatment is achieved with a mixture of 6% N2. When the major nitriding species NH3 is substituted by N2 and the N2 fraction increases above 30%, the rate of the forward reaction decreases drastically, so that there is no point to continue the furnace operation any further. Hence, during the initial heating phase, the N2 gas must be purged from the furnace to keep its fraction less than 30% before the furnace reaches the temperature where the reaction starts.

Multi-Objective Optimization of Spacecraft Trajectories for Small-Body Coverage Missions

NASA Technical Reports Server (NTRS)

Hinckley, David, Jr.; Englander, Jacob; Hitt, Darren

2017-01-01

Visual coverage of surface elements of a small-body object requires multiple images to be taken that meet many requirements on their viewing angles, illumination angles, times of day, and combinations thereof. Designing trajectories capable of maximizing total possible coverage may not be useful since the image target sequence and the feasibility of said sequence given the rotation-rate limitations of the spacecraft are not taken into account. This work presents a means of optimizing, in a multi-objective manner, surface target sequences that account for such limitations.

The effect of Fe-coverage on the structure, morphology and magnetic properties of α-FeSi2 nanoislands.

PubMed

Tripathi, J K; Garbrecht, M; Kaplan, W D; Markovich, G; Goldfarb, I

2012-12-14

Self-assembled α-FeSi(2) nanoislands were formed using solid-phase epitaxy of low (~1.2 ML) and high (~21 ML) Fe coverages onto vicinal Si(111) surfaces followed by thermal annealing. At a resulting low Fe-covered Si(111) surface, we observed in situ, by real-time scanning tunneling microscopy and surface electron diffraction, the entire sequence of Fe-silicide formation and transformation from the initially two-dimensional (2 × 2)-reconstructed layer at 300 °C into (2 × 2)-reconstructed nanoislands decorating the vicinal step-bunch edges in a self-ordered fashion at higher temperatures. In contrast, the silicide nanoislands at a high Fe-covered surface were noticeably larger, more three-dimensional, and randomly distributed all over the surface. Ex situ x-ray photoelectron spectroscopy and high-resolution transmission electron microscopy indicated the formation of an α-FeSi(2) island phase, in an α-FeSi(2){112} // Si{111} orientation. Superconducting quantum interference device magnetometry showed considerable superparamagnetism, with ~1.9 μ(B)/Fe atom at 4 K for the low Fe-coverage, indicating stronger ferromagnetic coupling of individual magnetic moments, as compared to high Fe-coverage, where the calculated moments were only ~0.8 μ(B)/Fe atom. Such anomalous magnetic behavior, particularly for the low Fe-coverage case, is radically different from the non-magnetic bulk α-FeSi(2) phase, and may open new pathways to high-density magnetic memory storage devices.

Surface sensitization mechanism on negative electron affinity p-GaN nanowires

NASA Astrophysics Data System (ADS)

Diao, Yu; Liu, Lei; Xia, Sihao; Feng, Shu; Lu, Feifei

2018-03-01

The surface sensitization is the key to prepare negative electron affinity photocathode. The thesis emphasizes on the study of surface sensitization mechanism of p-type doping GaN nanowires utilizing first principles based on density function theory. The adsorption energy, work function, dipole moment, geometry structure, electronic structure and optical properties of Mg-doped GaN nanowires surfaces with various coverages of Cs atoms are investigated. The GaN nanowire with Mg doped in core position is taken as the sensitization base. At the initial stage of sensitization, the best adsorption site for Cs atom on GaN nanowire surface is BN, the bridge site of two adjacent N atoms. Surface sensitization generates a p-type internal surface with an n-type surface state, introducing a band bending region which can help reduce surface barrier and work function. With increasing Cs coverage, work functions decrease monotonously and the "Cs-kill" phenomenon disappears. For Cs coverage of 0.75 ML and 1 ML, the corresponding sensitization systems reach negative electron affinity state. Through surface sensitization, the absorption curves are red shifted and the absorption coefficient is cut down. All theoretical calculations can guide the design of negative electron affinity Mg doped GaN nanowires photocathode.

Evaluation and mitigation of the interplay effects for intensity modulated proton therapy for lung cancer in a clinical setting

PubMed Central

Kardar, Laleh; Li, Yupeng; Li, Xiaoqiang; Li, Heng; Cao, Wenhua; Chang, Joe Y.; Liao, Li; Zhu, Ronald X.; Sahoo, Narayan; Gillin, Michael; Liao, Zhongxing; Komaki, Ritsuko; Cox, James D.; Lim, Gino; Zhang, Xiaodong

2015-01-01

Purpose The primary aim of this study was to evaluate the impact of interplay effects for intensity-modulated proton therapy (IMPT) plans for lung cancer in the clinical setting. The secondary aim was to explore the technique of iso-layered re-scanning for mitigating these interplay effects. Methods and Materials Single-fraction 4D dynamic dose without considering re-scanning (1FX dynamic dose) was used as a metric to determine the magnitude of dosimetric degradation caused by 4D interplay effects. The 1FX dynamic dose was calculated by simulating the machine delivery processes of proton spot scanning on moving patient described by 4D computed tomography (4DCT) during the IMPT delivery. The dose contributed from an individual spot was fully calculated on the respiratory phase corresponding to the life span of that spot, and the final dose was accumulated to a reference CT phase by using deformable image registration. The 1FX dynamic dose was compared with the 4D composite dose. Seven patients with various tumor volumes and motions were selected. Results The CTV prescription coverage for the 7 patients were 95.04%, 95.38%, 95.39%, 95.24%, 95.65%, 95.90%, and 95.53%, calculated with use of the 4D composite dose, and were 89.30%, 94.70%, 85.47%, 94.09%, 79.69%, 91.20%, and 94.19% with use of the 1FX dynamic dose. For the 7 patients, the CTV coverage, calculated by using single-fraction dynamic dose, were 95.52%, 95.32%, 96.36%, 95.28%, 94.32%, 95.53%, and 95.78%, using maximum MU limit value of 0.005. In other words, by increasing the number of delivered spots in each fraction, the degradation of CTV coverage improved up to 14.6%. Conclusions Single-fraction 4D dynamic dose without re-scanning was validated as a surrogate to evaluate the interplay effects for IMPT for lung cancer in the clinical setting. The interplay effects can be potentially mitigated by increasing the number of iso-layered re-scanning in each fraction delivery. PMID:25407877

Evaluation and mitigation of the interplay effects of intensity modulated proton therapy for lung cancer in a clinical setting.

PubMed

Kardar, Laleh; Li, Yupeng; Li, Xiaoqiang; Li, Heng; Cao, Wenhua; Chang, Joe Y; Liao, Li; Zhu, Ronald X; Sahoo, Narayan; Gillin, Michael; Liao, Zhongxing; Komaki, Ritsuko; Cox, James D; Lim, Gino; Zhang, Xiaodong

2014-01-01

The primary aim of this study was to evaluate the impact of the interplay effects of intensity modulated proton therapy (IMPT) plans for lung cancer in the clinical setting. The secondary aim was to explore the technique of isolayered rescanning to mitigate these interplay effects. A single-fraction 4-dimensional (4D) dynamic dose without considering rescanning (1FX dynamic dose) was used as a metric to determine the magnitude of dosimetric degradation caused by 4D interplay effects. The 1FX dynamic dose was calculated by simulating the machine delivery processes of proton spot scanning on a moving patient, described by 4D computed tomography during IMPT delivery. The dose contributed from an individual spot was fully calculated on the respiratory phase that corresponded to the life span of that spot, and the final dose was accumulated to a reference computed tomography phase by use of deformable image registration. The 1FX dynamic dose was compared with the 4D composite dose. Seven patients with various tumor volumes and motions were selected for study. The clinical target volume (CTV) prescription coverage for the 7 patients was 95.04%, 95.38%, 95.39%, 95.24%, 95.65%, 95.90%, and 95.53% when calculated with the 4D composite dose and 89.30%, 94.70%, 85.47%, 94.09%, 79.69%, 91.20%, and 94.19% when calculated with the 1FX dynamic dose. For these 7 patients, the CTV coverage calculated by use of a single-fraction dynamic dose was 95.52%, 95.32%, 96.36%, 95.28%, 94.32%, 95.53%, and 95.78%, with a maximum monitor unit limit value of 0.005. In other words, by increasing the number of delivered spots in each fraction, the degradation of CTV coverage improved up to 14.6%. A single-fraction 4D dynamic dose without rescanning was validated as a surrogate to evaluate the interplay effects of IMPT for lung cancer in the clinical setting. The interplay effects potentially can be mitigated by increasing the amount of isolayered rescanning in each fraction delivery.

Expected antenna utilization and overload

NASA Technical Reports Server (NTRS)

Posner, Edward C.

1991-01-01

The trade-offs between the number of antennas at Deep Space Network (DSN) Deep-Space Communications Complex and the fraction of continuous coverage provided to a set of hypothetical spacecraft, assuming random placement of the space craft passes during the day. The trade-offs are fairly robust with respect to the randomness assumption. A sample result is that a three-antenna complex provides an average of 82.6 percent utilization of facilities and coverage of nine spacecraft that each have 8-hour passes, whereas perfect phasing of the passes would yield 100 percent utilization and coverage. One key point is that sometimes fewer than three spacecraft are visible, so an antenna is idle, while at other times, there aren't enough antennas, and some spacecraft do without service. This point of view may be useful in helping to size the network or to develop a normalization for a figure of merit of DSN coverage.

The influence of canopy shading of snow on effective albedo in forested environments

NASA Astrophysics Data System (ADS)

Webster, C.; Jonas, T.

2017-12-01

The overlap of highly reflective snow and absorbent forested areas creates strong heterogeneity in the effective surface albedo compared to forest-free areas. Current errors in calculations of effective forest snow albedo arise due to uncertainties in how models should treat masking of snow by vegetation but improvement of local and large scale models is currently limited by a lack of measurements that demonstrate both spatial and temporal variability over forests. We present above-canopy measurements of winter-time effective forest snow albedo using up- and down-looking radiometers mounted on an octocopter UAV for a total of fifteen flights on eight different days. Ground-view fractions across the flight path were between 0.12 and 0.81. Correlations between effective albedo and both ground-view fraction and canopy height were statistically significant during 14 out of 15 flights, but varied between flights due to solar angle and snow cover. Measured effective albedo across the flight path differed by up to 0.33 during snow-on canopy conditions. A comparison between maximum interception and no interception showed effective albedo varied by up 0.17, which was the same variation between effective albedo during high (46°) and low (23°) solar elevation angles. Temporal and spatial variations in effective albedo caused by canopy shading of the snow surface are therefore as important as temporal variations caused by interception of snow by the canopy. Calculation of effective albedo over forested areas therefore requires careful consideration of canopy height, canopy coverage, solar angle and interception load. The results of this study should be used to inform snow albedo and canopy structure parametrisations in local and larger scale land surface models.

The Effects of Impurities on Protein Crystal Growth and Nucleation: A Preliminary Study

NASA Technical Reports Server (NTRS)

Schall, Constance A.

1998-01-01

Kubota and Mullin (1995) devised a simple model to account for the effects of impurities on crystal growth of small inorganic and organic molecules in aqueous solutions. Experimentally, the relative step velocity and crystal growth of these molecules asymptotically approach zero or non-zero values with increasing concentrations of impurities. Alternatively, the step velocity and crystal growth can linearly approach zero as the impurity concentration increases. The Kubota-Mullin model assumes that the impurity exhibits Langmuirian adsorption onto the crystal surface. Decreases in step velocities and subsequent growth rates are related to the fractional coverage (theta) of the crystal surface by adsorbed impurities; theta = Kx / (I +Kx), x = mole fraction of impurity in solution. In the presence of impurities, the relative step velocity, V/Vo, and the relative growth rate of a crystal face, G/Go, are proposed to conform to the following equations: V/Vo approx. = G/Go = 1 - (alpha)(theta). The adsorption of impurity is assumed to be rapid and in quasi-equilibrium with the crystal surface sites available. When the value of alpha, an effectiveness factor, is one the growth will asymptotically approach zero with increasing concentrations of impurity. At values less than one, growth approaches a non-zero value asymptotically. When alpha is much greater than one, there will be a linear relationship between impurity concentration and growth rates. Kubota and Mullin expect alpha to decrease with increasing supersaturation and shrinking size of a two dimensional nucleus. It is expected that impurity effects on protein crystal growth will exhibit behavior similar to that of impurities in small molecule growth. A number of proteins were added to purified chicken egg white lysozyme, the effect on crystal nucleation and growth assessed.

SU-F-T-538: CyberKnife with MLC for Treatment of Large Volume Tumors: A Feasibility Study

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

Bichay, T; Mayville, A

2016-06-15

Purpose: CyberKnife is a well-documented modality for SRS and SBRT treatments. Typical tumors are small and 1–5 fractions are usually used. We determined the feasibility of using CyberKnife, with an InCise multileaf collimator option, for larger tumors undergoing standard dose and fractionation. The intent was to understand the limitation of using this modality for other external beam radiation treatments. Methods: Five tumors from different anatomical sites with volumes from 127.8 cc to 1,320.5 cc were contoured and planned on a Multiplan V5.1 workstation. The target average diameter ranged from 7 cm to 13 cm. The dose fractionation was 1.8–2.0 Gy/fractionmore » and 25–45 fractions for total doses of 45–81 Gy. The sites planned were: pancreas, head and neck, prostate, anal, and esophagus. The plans were optimized to meet conventional dose constraints based on various RTOG protocols for conventional fractionation. Results: The Multiplan treatment planning system successfully generated clinically acceptable plans for all sites studied. The resulting dose distributions achieved reasonable target coverage, all greater than 95%, and satisfactory normal tissue sparing. Treatment times ranged from 9 minutes to 38 minutes, the longest being a head and neck plan with dual targets receiving different doses and with multiple adjacent critical structures. Conclusion: CyberKnife, with the InCise multileaf collimation option, can achieve acceptable dose distributions in large volume tumors treated with conventional dose and fractionation. Although treatment times are greater than conventional accelerator time; target coverage and dose to critical structures can be kept within a clinically acceptable range. While time limitations exist, when necessary CyberKnife can provide an alternative to traditional treatment modalities for large volume tumors.« less

Evaporative fractionation of marine water isotopes in the Arctic Ocean help understand a changing Arctic water cycle

NASA Astrophysics Data System (ADS)

Klein, E. S.; Welker, J. M.

2017-12-01

Most of the global hydrologic cycle occurs in oceanic waters. This oceanic derived moisture is critical to the precipitation and evapotranspiration regimes that influence terrestrial Earth systems. Thus understanding oceanic water processes has important global implications for our knowledge of modern and past hydrologic cycles. As they are influenced by environmental variables such as sea surface temperature and atmospheric humidity, water isotope ratios (e.g., δ18O, δ2H) can help understand the patterns driving the water cycle. However, our knowledge of marine isotopes is relatively limited. In particular, the fractionation of water isotopes during evaporation of oceanic water, essentially the start of the hydrologic cycle, is largely based on theoretical relationships derived from spatially and temporally limited data sets. This constrained understanding of oceanic evaporation fractionation patterns is especially pronounced in the rapidly changing Arctic Ocean. These changes are associated with reduced sea ice coverage, which is increasing the amount of local Artic Ocean sourced moisture in atmospheric and terrestrial systems and amplifying the Arctic hydrologic cycle. Here we present new data revealing the nuances of evaporative fractionation of Arctic Ocean water isotopes with the first collection of continuous, contemporaneous sea water and vapor isotopes. These data, collected in situ aboard the icebreaker Healy, show that the difference between actual ocean vapor isotope values and vapor values estimated by the closure equation increases progressively with latitude (especially beyond 70°) and varies between δ18O and δ2H. These differences are likely due to more isotopic mixing in the troposphere and/or closure equation assumptions inapplicable to Arctic regions. Moreover, we find: 1) a positive relationship between fractionation magnitude and latitude; and 2) the influence of evaporative fractionation from environmental variables such as wind and relative humidity reverses with the presence of sea ice. These new data increase our understanding of the patterns and processes governing past, present, and future changes to the Arctic hydrologic cycle.

Land and federal mineral ownership coverage for northwestern Colorado

USGS Publications Warehouse

Biewick, L.H.; Mercier, T.J.; Levitt, Pam; Deikman, Doug; Vlahos, Bob

1999-01-01

This Arc/Info coverage contains land status and Federal mineral ownership for approximately 26,800 square miles in northwestern Colorado. The polygon coverage (which is also provided here as a shapefile) contains two attributes of ownership information for each polygon. One attribute indicates where the surface is State owned, privately owned, or, if Federally owned, which Federal agency manages the land surface. The other attribute indicates which minerals, if any, are owned by the Federal govenment. This coverage is based on land status and Federal mineral ownership data compiled by the U.S. Geological Survey (USGS) and three Colorado State Bureau of Land Management (BLM) former district offices at a scale of 1:24,000. This coverage was compiled primarily to serve the USGS National Oil and Gas Resource Assessment Project in the Uinta-Piceance Basin Province and the USGS National Coal Resource Assessment Project in the Colorado Plateau.

Influence of model assumptions about HIV disease progression after initiating or stopping treatment on estimates of infections and deaths averted by scaling up antiretroviral therapy

PubMed Central

Sucharitakul, Kanes; Boily, Marie-Claude; Dimitrov, Dobromir

2018-01-01

Background Many mathematical models have investigated the population-level impact of expanding antiretroviral therapy (ART), using different assumptions about HIV disease progression on ART and among ART dropouts. We evaluated the influence of these assumptions on model projections of the number of infections and deaths prevented by expanded ART. Methods A new dynamic model of HIV transmission among men who have sex with men (MSM) was developed, which incorporated each of four alternative assumptions about disease progression used in previous models: (A) ART slows disease progression; (B) ART halts disease progression; (C) ART reverses disease progression by increasing CD4 count; (D) ART reverses disease progression, but disease progresses rapidly once treatment is stopped. The model was independently calibrated to HIV prevalence and ART coverage data from the United States under each progression assumption in turn. New HIV infections and HIV-related deaths averted over 10 years were compared for fixed ART coverage increases. Results Little absolute difference (<7 percentage points (pp)) in HIV infections averted over 10 years was seen between progression assumptions for the same increases in ART coverage (varied between 33% and 90%) if ART dropouts reinitiated ART at the same rate as ART-naïve MSM. Larger differences in the predicted fraction of HIV-related deaths averted were observed (up to 15pp). However, if ART dropouts could only reinitiate ART at CD4<200 cells/μl, assumption C predicted substantially larger fractions of HIV infections and deaths averted than other assumptions (up to 20pp and 37pp larger, respectively). Conclusion Different disease progression assumptions on and post-ART interruption did not affect the fraction of HIV infections averted with expanded ART, unless ART dropouts only re-initiated ART at low CD4 counts. Different disease progression assumptions had a larger influence on the fraction of HIV-related deaths averted with expanded ART. PMID:29554136

SU-G-JeP3-12: Use of Cone Beam CT and Deformable Image Registration for Assessing Geometrical and Dosimetric Variations During Lung Radiotherapy

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

Jurkovic, I; Stathakis, S; Markovic, M

Purpose: To assess the value of cone beam CT (CBCT) combined with deformable image registration in estimating the accuracy of the delivered treatment and the suitability of the applied target margins. Methods: Two patients with lung tumor were selected. Using their CT images intensity modulated radiation therapy (IMRT) treatment plans were developed to deliver 66Gy to the 95% of the PTV in 2Gy fractions. Using the Velocity AI software, the planning CT of each patient was registered with the fractional CBCT images that were obtained through the course of the treatment. After a CT to CBCT deformable image registration (DIR),more » the same fractional deformation matrix was used for the deformation of the planned dose distributions, as well as of all the contoured volumes, to each CBCT dataset. The dosimetric differences between the planning target volume (PTV) and various organs at risk (OARs) were recorded and compared. Results: CBCT data such as CTV volume change and PTV coverage was analyzed. There was a moderate relationship between volume changes and contouring method (automatic contouring using the DIR transformation vs. manual contouring on each CBCT) for patient #1 (r = 0.49), and a strong relationship for patient #2 (r = 0.83). The average PTV volume coverage from all the CBCT datasets was 91.2% for patient #1 and 95.6% for patient #2. Conclusion: Daily setup variations, tumor volume motion and lung deformation due to breathing yield differences in the actual delivered dose distributions versus the planned ones. The results presented indicate that these differences are apparent even with the use of daily IGRT. In certain fractions, the margins used seem to be insufficient to ensure acceptable lung tumor coverage. The observed differences notably depend on the tumor volume size and location. A larger cohort of patient is under investigation to verify those findings.« less

The formation of diethyl ether via the reaction of iodoethane with atomic oxygen on the Ag(110) surface

NASA Astrophysics Data System (ADS)

Jones, G. Scott; Barteau, Mark A.; Vohs, John M.

1999-01-01

The reactions of iodoethane (ICH 2CH 3) on clean and oxygen-covered Ag(110) surfaces were investigated using temperature-programmed desorption (TPD) and high-resolution electron energy-loss spectroscopy (HREELS). Iodoethane adsorbs dissociatively at 150 K to produce surface ethyl groups on both clean and oxygen-covered Ag(110) surfaces. The ethyl species couple to form butane on both surfaces, with the desorption peak maximum located between 218 and 238 K, depending on the ethyl coverage. In addition to butane, a number of oxidation products including diethyl ether, ethanol, acetaldehyde, surface acetate, ethylene, carbon dioxide and water were formed on the oxygen-dosed Ag(110) surface. Diethyl ether was the major oxygenate produced at all ethyl:oxygen ratios, and the peak temperature for ether evolution varied from 220 to 266 K depending on the relative coverages of these reactants. The total combustion products, CO 2 and H 2O, were primarily formed at low ethyl coverages in the presence of excess oxygen. The formation of ethylene near 240 K probably involves an oxygen-assisted dehydrogenation pathway since ethylene is not formed from ethyl groups on the clean surface. Acetaldehyde and ethanol evolve coincidentally with a peak centered at 270-280 K, and are attributed to the reactions of surface ethoxide species. The surface acetate which decomposes near 620 K is formed from subsequent reactions of acetaldehyde with oxygen atoms. The addition of ethyl to oxygen to form surface ethoxides was verified by HREELS results. The yields of all products exhibited a strong dependence on the relative coverages of ethyl and oxygen.

Oxygen adsorption on the Al0.25Ga0.75N (0001) surface: A first-principles study

NASA Astrophysics Data System (ADS)

Fu, Jiaqi; Song, Tielei; Liang, Xixia; Zhao, Guojun

2018-04-01

To understand the interaction mechanism for the oxygen adsorption on AlGaN surface, herein, we built the possible models of oxygen adsorption on Al0.25Ga0.75N (0001) surface. For different oxygen coverage, three kinds of adsorption site are considered. Then the favorable adsorption sites are characterized by first principles calculation for (2 × 2) supercell of Al0.25Ga0.75N (0001) surface. On basis of the optimal adsorption structures, our calculated results show that all the adsorption processes are exothermic, indicating that the (0001) surface orientation is active towards the adsorption of oxygen. The doping of Al is advantage to the adsorption of O atom. Additionally, the adsorption energy decreases with reducing the oxygen coverage, and the relationship between them is approximately linear. Owing to the oxygen adsorption, the surface states in the fundamental band gap are significant reduced with respect to the free Al0.25Ga0.75N (0001) surface. Moreover, the optical properties on different oxygen coverage are also discussed.

Effectiveness of Different Urban Heat Island Mitigation Methods and Their Regional Impacts

NASA Astrophysics Data System (ADS)

Zhang, N.

2017-12-01

Cool roofs and green roofs are two popular methods to mitigate urban heat island and improve urban climate. The effectiveness of different urban heat island mitigation strategies in the summer of 2013 in the Yangtze River Delta, China is investigated using the WRF (Weather Research and Forecasting) model coupled with a physically based urban canopy model. The modifications to the roof surface changed the urban surface radiation balance and then modified the local surface energy budget. Both cool roofs and green roofs led to lower surface skin temperature and near-surface air temperature. Increasing the roof albedo to 0.5 caused a similar effectiveness as covering 25% of urban roofs with vegetation; increasing roof albedo to 0.7 caused a similar near-surface air temperature decrease as 75% green roof coverage. The near-surface relative humidity increased in both cool roof and green roof experiments because of the combination of the impacts of increases in specific humidity and decreases in air temperature. The regional impacts of cool roofs and green roofs were evaluated using the regional effect index. The regional effect could be found in both near-surface air temperature and surface specific/relative humidity when the percentage of roofs covered with high albedo materials or green roofs reached a higher fraction (greater than 50%). The changes in the vertical profiles of temperature cause a more stable atmospheric boundary layer over the urban area; at the same time, the crossover phenomena occurred above the boundary layer due to the decrease in vertical wind speed.

Bio-functionalisation of polyether ether ketone using plasma immersion ion implantation

NASA Astrophysics Data System (ADS)

Wakelin, Edgar; Yeo, Giselle; Kondyurin, Alexey; Davies, Michael; McKenzie, David; Weiss, Anthony; Bilek, Marcela

2015-12-01

Plasma immersion ion implantation (PIII) is used here to improve the surface bioactivity of polyether ether ketone (PEEK) by modifying the chemical and mechanical properties and by introducing radicals. Modifications to the chemical and mechanical properties are characterised as a function of ion fluence (proportional to treatment time) to determine the suitability of the treated surfaces for biological applications. Radical generation increases with treatment time, where treatments greater than 400 seconds result in a high concentration of long-lived radicals. Radical reactions are responsible for oxidation of the surface, resulting in a permanent increase in the polar surface energy. The nano-scale reduced modulus was found to increase with treatment time at the surface from 4.4 to 5.2 GPa. The macromolecular Young's modulus was also found to increase, but by an amount corresponding to the volume fraction of the ion implanted region. The treated surface layer exhibited cracking under cyclical loads, associated with an increased modulus due to dehydrogenation and crosslinking, however it did not show any sign of delamination, indicating that the modified layer is well integrated with the substrate - a critical factor for bioactive surface coatings to be used in-vivo. Protein immobilisation on the PIII treated surfaces was found to saturate after 240 seconds of treatment, indicating that there is room to tune surface mechanical properties for specific applications without affecting the protein coverage. Our findings indicate that the modification of the chemical and mechanical properties by PIII treatments as well as the introduction of radicals render PEEK well suited for use in orthopaedic implantable devices.

Atmosphere and climate studies of Mars using the Mars Observer pressure modulator infrared radiometer

NASA Technical Reports Server (NTRS)

Mccleese, D. J.; Haskins, R. D.; Schofield, J. T.; Zurek, R. W.; Leovy, C. B.; Paige, D. A.; Taylor, F. W.

1992-01-01

Studies of the climate and atmosphere of Mars are limited at present by a lack of meteorological data having systematic global coverage with good horizontal and vertical resolution. The Mars Observer spacecraft in a low, nearly circular, polar orbit will provide an excellent platform for acquiring the data needed to advance significantly our understanding of the Martian atmosphere and its remarkable variability. The Mars Observer pressure modulator infrared radiometer (PMIRR) is a nine-channel limb and nadir scanning atmospheric sounder which will observe the atmosphere of Mars globally from 0 to 80 km for a full Martian year. PMIRR employs narrow-band radiometric channels and two pressure modulation cells to measure atmospheric and surface emission in the thermal infrared. PMIRR infrared and visible measurements will be combined to determine the radiative balance of the polar regions, where a sizeable fraction of the global atmospheric mass annually condenses onto and sublimes from the surface. Derived meteorological fields, including diabatic heating and cooling and the vertical variation of horizontal winds, are computed from the globally mapped fields retrieved from PMIRR data.

NASA's AVIRIS Instrument Sheds New Light on Southern California Wildfires

NASA Image and Video Library

2017-12-08

NASA's Airborne Visible Infrared Imaging Spectrometer instrument (AVIRIS), flying aboard a NASA Armstrong Flight Research Center high-altitude ER-2 aircraft, flew over the wildfires burning in Southern California on Dec. 5, 2017 and acquired this false-color image. Active fires are visible in red, ground surfaces are in green and smoke is in blue. AVIRIS is an imaging spectrometer that observes light in visible and infrared wavelengths, measuring the full spectrum of radiated energy. Unlike regular cameras with three colors, AVIRIS has 224 spectral channels from the visible through the shortwave infrared. This permits mapping of fire temperatures, fractional coverage, and surface properties, including how much fuel is available for a fire. Spectroscopy is also valuable for characterizing forest drought conditions and health to assess fire risk. AVIRIS has been observing fire-prone areas in Southern California for many years, forming a growing time series of before/after data cubes. These data are helping improve scientific understanding of fire risk and how ecosystems respond to drought and fire. https://photojournal.jpl.nasa.gov/catalog/PIA11243

SU-E-T-09: A Clinical Implementation and Optimized Dosimetry Study of Freiberg Flap Skin Surface Treatment in High Dose Rate Brachytherapy

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

Syh, J; Syh, J; Patel, B

Purpose: This case study was designated to confirm the optimized plan was used to treat skin surface of left leg in three stages. 1. To evaluate dose distribution and plan quality by alternating of the source loading catheters pattern in flexible Freiberg Flap skin surface (FFSS) applicator. 2. To investigate any impact on Dose Volume Histogram (DVH) of large superficial surface target volume coverage. 3. To compare the dose distribution if it was treated with electron beam. Methods: The Freiburg Flap is a flexible mesh style surface mold for skin radiation or intraoperative surface treatments. The Freiburg Flap consists ofmore » multiple spheres that are attached to each other, holding and guiding up to 18 treatment catheters. The Freiburg Flap also ensures a constant distance of 5mm from the treatment catheter to the surface. Three treatment trials with individual planning optimization were employed: 18 channels, 9 channels of FF and 6 MeV electron beam. The comparisons were highlighted in target coverage, dose conformity and dose sparing of surrounding tissues. Results: The first 18 channels brachytherapy plan was generated with 18 catheters inside the skin-wrapped up flap (Figure 1A). A second 9 catheters plan was generated associated with the same calculation points which were assigned to match prescription for target coverage as 18 catheters plan (Figure 1B). The optimized inverse plan was employed to reduce the dose to adjacent structures such as tibia or fibula. The comparison of DVH’s was depicted on Figure 2. External beam of electron RT plan was depicted in Figure 3. Overcall comparisons among these three were illustrated in Conclusion: The 9-channel Freiburg flap flexible skin applicator offers a reasonably acceptable plan without compromising the coverage. Electron beam was discouraged to use to treat curved skin surface because of low target coverage and high dose in adjacent tissues.« less

Desorption of oxygen from alloyed Ag/Pt(111)

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

Jankowski, Maciej; Wormeester, Herbert, E-mail: h.wormeester@utwente.nl; Zandvliet, Harold J. W.

2014-06-21

We have investigated the interaction of oxygen with the Ag/Pt(111) surface alloy by thermal desorption spectroscopy (TDS). The surface alloy was formed during the deposition of sub-monolayer amounts of silver on Pt(111) at 800 K and subsequent cooling to 300 K. The low-temperature phase of the surface alloy is composed of nanometer-sized silver rich stripes, embedded within platinum-rich domains, which were characterized with spot profile analysis low energy electron diffraction. The TDS measurements show that oxygen adsorption is blocked on Ag sites: the saturation coverage of oxygen decreases with increasing Ag coverage. Also, the activation energy for desorption (E{sub des})more » decreases with Ag coverage. The analysis of the desorption spectra from clean Pt(111) shows a linear decay of E{sub des} with oxygen coverage, which indicates repulsive interactions between the adsorbed oxygen atoms. In contrast, adsorption on alloyed Ag/Pt(111) leads to an attractive interaction between adsorbed oxygen atoms.« less

Women's health insurance coverage 1980-2005.

PubMed

Glied, Sherry; Jack, Kathrine; Rachlin, Jason

2008-01-01

In the fragmented US health insurance system, women's health insurance coverage is an outcome both of changes in the availability of private and public health insurance and of changing patterns of labor force participation and household formation. Over the past 2 decades, women's socioeconomic circumstances have changed and public policy around health insurance coverage for low-income women has also undergone substantial modification. This study examines the roles of these changes in circumstances and policy on the level and composition of women's health insurance. Using the Census Bureau's March Current Population Survey 1980-2005, the government's principal source of nationally representative labor market and health insurance data, we examine how changes in marriage, full-time and part-time labor force participation, and public policy around coverage affected the level and source of women's health insurance coverage over 3 periods: 1980-1987, 1988-1994, and 1995-2005. Health insurance coverage rates have fallen for both women and men since 1980. What makes women different is that, in addition to the decline in coverage, the composition of health insurance coverage for women has also changed markedly. More women now obtain health insurance on their own, rather than as dependents, than did in 1980. A larger fraction of insured women are now enrolled in Medicaid than were in 1980. Women's routes to coverage have changed as their social and economic circumstances have changed and as policy, especially Medicaid policy, has evolved. Women's channels for obtaining health insurance coverage are more fragmented than those of men. The availability of multiple sources of coverage, and the possibility of moving amongst them, have not, however, insulated women from the overall declines in health insurance coverage caused by the rising cost of private health insurance.

Coverage-based constraints for IMRT optimization

NASA Astrophysics Data System (ADS)

Mescher, H.; Ulrich, S.; Bangert, M.

2017-09-01

Radiation therapy treatment planning requires an incorporation of uncertainties in order to guarantee an adequate irradiation of the tumor volumes. In current clinical practice, uncertainties are accounted for implicitly with an expansion of the target volume according to generic margin recipes. Alternatively, it is possible to account for uncertainties by explicit minimization of objectives that describe worst-case treatment scenarios, the expectation value of the treatment or the coverage probability of the target volumes during treatment planning. In this note we show that approaches relying on objectives to induce a specific coverage of the clinical target volumes are inevitably sensitive to variation of the relative weighting of the objectives. To address this issue, we introduce coverage-based constraints for intensity-modulated radiation therapy (IMRT) treatment planning. Our implementation follows the concept of coverage-optimized planning that considers explicit error scenarios to calculate and optimize patient-specific probabilities q(\\hat{d}, \\hat{v}) of covering a specific target volume fraction \\hat{v} with a certain dose \\hat{d} . Using a constraint-based reformulation of coverage-based objectives we eliminate the trade-off between coverage and competing objectives during treatment planning. In-depth convergence tests including 324 treatment plan optimizations demonstrate the reliability of coverage-based constraints for varying levels of probability, dose and volume. General clinical applicability of coverage-based constraints is demonstrated for two cases. A sensitivity analysis regarding penalty variations within this planing study based on IMRT treatment planning using (1) coverage-based constraints, (2) coverage-based objectives, (3) probabilistic optimization, (4) robust optimization and (5) conventional margins illustrates the potential benefit of coverage-based constraints that do not require tedious adjustment of target volume objectives.

L-Tryptophan on Cu(111): engineering a molecular labyrinth driven by indole groups

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

Yitamben, E. N.; Clayborne, A.; Darling, Seth B.

2015-05-21

The present article investigates the adsorption and molecular orientation of L-Tryptophan, which is both an essential amino acid important for protein synthesis and of particular interest for the development of chiral molecular electronics and biocompatible processes and devices, on Cu(111) using scanning tunneling microscopy and spectroscopy at 55 K and at room temperature. The arrangement of chemisorbed L-Tryptophan on the copper surface varies with both temperature and surface coverage. At low coverage, small clusters form on the surface irrespective of temperature, while at high coverage an ordered chain structure emerges at room temperature, and a tightly packed structure forms amore » molecular labyrinth at low temperature. The dominating superstructure of the adsorbates arises from intermolecular hydrogen bonding, and pi-bonding interactions between the indole groups of neighboring molecules and the Cu surface.« less

Experimental and Numerical Analysis of Microstructures and Stress States of Shot-Peened GH4169 Superalloys

NASA Astrophysics Data System (ADS)

Hu, Dianyin; Gao, Ye; Meng, Fanchao; Song, Jun; Wang, Rongqiao

2018-04-01

Combining experiments and finite element analysis (FEA), a systematic study was performed to analyze the microstructural evolution and stress states of shot-peened GH4169 superalloy over a variety of peening intensities and coverages. A dislocation density evolution model was integrated into the representative volume FEA model to quantitatively predict microstructural evolution in the surface layers and compared with experimental results. It was found that surface roughness and through-depth residual stress profile are more sensitive to shot-peening intensity compared to coverage due to the high kinetic energy involved. Moreover, a surface nanocrystallization layer was discovered in the top surface region of GH4169 for all shot-peening conditions. However, the grain refinement was more intensified under high shot-peening coverage, under which enough time was permitted for grain refinement. The grain size gradient predicted by the numerical framework showed good agreement with experimental observations.

Adsorption behavior of glycidoxypropyl-trimethoxy-silane on titanium alloy Ti-6.5Al-1Mo-1V-2Zr

NASA Astrophysics Data System (ADS)

Liu, Jian-hua; Zhan, Zhong-wei; Yu, Mei; Li, Song-mei

2013-01-01

The adsorption behavior of glycidoxypropyl-trimethoxy-silane (GTMS) on titanium alloy Ti-6.5Al-1Mo-1V-2Zr was investigated by using X-ray photoelectron spectroscopy (XPS), Tafel polarization test, and electrochemical impedance spectroscopy (EIS). From the XPS results, it was found that the silane coverage on the titanium surface generally increased with GTMS concentration, with a slight decrease at concentration of 0.1%. Based on the relationship between isoelectronic point (IEP) of titanium surface and the pH values of silane solutions, adsorption mechanisms at different concentrations were proposed. The surface coverage data of GTMS on titanium surface was also derived from electrochemical measurements. By linear fitting the coverage data, it revealed that the adsorption of GTMS on the titanium alloy surface at 30 °C was of a physisorption-based mechanism, and obeyed Langmuir adsorption isotherm. The adsorption equilibrium constant (Kads) and free energy of adsorption process (ΔGads) were calculated to elaborate the mechanism of GTMS adsorption.

SU-E-T-232: Custom High-Dose-Rate Brachytherapy Surface Mold Applicators: The Importance Source to Skin Distance

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

Park, S; Demanes, J; Kamrava, M

2015-06-15

Purpose: Surface mold applicators can be customized to fit irregular skin surfaces that are difficult to treat with other radiation therapy techniques. Optimal design of customized HDR skin brachytherapy is not well-established. We evaluated the impact of applicator thickness (source to skin distance) on target dosimetry. Methods: 27 patients had 34 treated sites: scalp 4, face 13, extremity 13, and torso 4. Custom applicators were constructed from 5–15 mm thick thermoplastic bolus molded over the skin lesion. A planar array of plastic brachytherapy catheters spaced 5–10 mm apart was affixed to the bolus. CT simulation was used to contour themore » target volume and to determine the prescription depth. Inverse planning simulated annealing followed by graphical optimization was used to plan and deliver 40–56 Gy in 8–16 fractions. Target coverage parameters (D90, Dmean, and V100) and dose uniformity (V110–200, D0.1cc, D1cc, and D2cc) were studied according to target depth (<5mm vs. ≥5mm) and applicator thickness (5–10mm vs. ≥10mm). Results: The average prescription depth was 4.2±1.5mm. The average bolus thickness was 9.2±2.4mm. The median CTV volume was 10.0 cc (0.2–212.4 cc). Similar target coverage was achieved with prescription depths of <5mm and ≥5mm (Dmean = 113.8% vs. 112.4% and D90 = 100.2% vs. 98.3%). The <5mm prescription depth plans were more uniform (D0.1cc = 131.8% vs. 151.8%). Bolus thickness <10mm vs. ≥10mm plans also had similar target coverage (Dmean = 118.2% vs. 110.7% and D90 = 100.1% vs. 99.0%). Applicators ≥10mm thick, however, provide more uniform target dosimetry (D0.1cc = 146.9% vs. 139.5%). Conclusion: Prescription depth is based upon the thickness of the lesion and upon the clinical needs of the patient. Applicators ≥10mm thick provide more dose uniformity than 5–10mm thick applicators. Applicator thickness is an important variable that should be considered during treatment planning to achieve optimal dose uniformity.« less

Surface vibrational structure at alkane liquid/vapor interfaces

NASA Astrophysics Data System (ADS)

Esenturk, Okan; Walker, Robert A.

2006-11-01

Broadband vibrational sum frequency spectroscopy (VSFS) has been used to examine the surface structure of alkane liquid/vapor interfaces. The alkanes range in length from n-nonane (C9H20) to n-heptadecane (C17H36), and all liquids except heptadecane are studied at temperatures well above their bulk (and surface) freezing temperatures. Intensities of vibrational bands in the CH stretching region acquired under different polarization conditions show systematic, chain length dependent changes. Data provide clear evidence of methyl group segregation at the liquid/vapor interface, but two different models of alkane chain structure can predict chain length dependent changes in band intensities. Each model leads to a different interpretation of the extent to which different chain segments contribute to the anisotropic interfacial region. One model postulates that changes in vibrational band intensities arise solely from a reduced surface coverage of methyl groups as alkane chain length increases. The additional methylene groups at the surface must be randomly distributed and make no net contribution to the observed VSF spectra. The second model considers a simple statistical distribution of methyl and methylene groups populating a three dimensional, interfacial lattice. This statistical picture implies that the VSF signal arises from a region extending several functional groups into the bulk liquid, and that the growing fraction of methylene groups in longer chain alkanes bears responsibility for the observed spectral changes. The data and resulting interpretations provide clear benchmarks for emerging theories of molecular structure and organization at liquid surfaces, especially for liquids lacking strong polar ordering.

Initial oxidation behavior of Ni3Al (210) surface induced by supersonic oxygen molecular beam at room temperature

NASA Astrophysics Data System (ADS)

Xu, Ya; Sakurai, Junya; Teraoka, Yuden; Yoshigoe, Akitaka; Demura, Masahiko; Hirano, Toshiyuki

2017-01-01

The initial oxidation behavior of a clean Ni3Al (210) surface was studied at 300 K using a supersonic O2 molecular beam (O2 SSMB) having an O2 translational energy of 2.3 eV, and real-time photoemission spectroscopy performed with high-brilliance synchrotron radiation. The evolution behaviors of the O 1s, Ni 2p, Al 2p, and Ni 3p spectra were examined during irradiation with the O2 SSMB. The spectral analysis revealed that both the Al atoms and the Ni atoms on the surface were oxidized; however, the oxidation of Al progressed much faster than that of Ni. The oxidation of Al began to occur and AlOx was formed at an oxygen coverage of 0.26 monolayer (ML) (1 ML was defined as the atomic density of the Ni3Al (210) surface) and saturated at an oxygen coverage of 2.5 ML. In contrast, the oxidation of Ni commenced a little late at an oxygen coverage of 1.6 ML and slowly progressed to saturation, which occurred at an oxygen coverage of 4.89 ML.

Management of gingival recession by the use of an acellular dermal graft material: a 12-case series.

PubMed

Santos, A; Goumenos, G; Pascual, A

2005-11-01

Different soft tissue defects can be treated by a variety of surgical procedures. Most of these techniques require the palatal area as a donor site. Recently, an acellular dermal graft has become available that can substitute for palatal donor tissue. This study describes the surgical technique for gingival augmentation and root coverage and the results of 12 clinical cases. A comparison between the three most popular mucogingival procedures for root coverage is also presented. The results of the 12 patients and the 26 denuded surfaces have shown that we can obtain a mean root coverage of 74% with the acellular dermal graft. Thirteen out of the 26 denuded surfaces had complete root coverage. The average increase in keratinized tissue was 1.19 mm. It seems that the long-term results of the cases are stable. The proposed technique of root coverage with an acellular dermal graft can be a good alternative to soft tissue grafts for root coverage, and it should be part of our periodontal plastic surgery armamentarium.

Topoclimatological and snowhydrological survey of Switzerland

NASA Technical Reports Server (NTRS)

Winiger, M. (Principal Investigator)

1980-01-01

The author has identified the following significant results. Low temperature zones depend on the topography and the terrain coverage type (besides the meteorological situation). The usual pattern of cold zones at the bottom of the valleys, warmer belts along the valley slopes, and cold mountain tops is modified by the terrain coverage type. Rural and forested areas normally have different surface temperatures, but along a vertical profile the temperature decrease (or increase) is often of the same order of magnitude. Because there is also a close correlation between the topography and terrain coverage (high percentage of forested areas at the valley slopes up to the timber line, much less along the valley floors), the surface temperature of the warm slope zone is increased compared to a valley profile with uniform coverage.

Friction force microscopy at a regularly stepped Au(665) electrode: Anisotropy effects

NASA Astrophysics Data System (ADS)

Podgaynyy, Nikolay; Iqbal, Shahid; Baltruschat, Helmut

2015-01-01

Using friction force microscopy, friction was determined for the AFM-tip scanning parallel and vertically to the monoatomic steps of Au(665) electrode for different coverages of Cu in sulfuric acid. When the tip was scanning parallel to the steps, the results were similar to those obtained before for a Au(111) surface: a higher coverage of Cu leads to an increased friction. However, differently from Au(111), no transitions in the friction coefficient were observed with increasing load. Atomic stick slip was observed both for the Au surface and the √{ 3} × √{ 3} honeycomb Cu adlayer with a Cu coverage of 2/3. When the tip was scanning perpendicular to the steps, friction did not depend much on coverage; astonishingly, atomic stick slip was also observed.

WE-AB-207B-03: A Computational Methodology for Determination of CTV-To-PTV Margins with Inter Fractional Shape Variations Based On a Statistical Point Distribution Model for Prostate Cancer Radiation Therapy

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

Shibayama, Y; Umezu, Y; Nakamura, Y

2016-06-15

Purpose: Our assumption was that interfractional shape variations of target volumes could not be negligible for determination of clinical target volume (CTV)-to-planning target volume (PTV) margins. The aim of this study was to investigate this assumption as a simulation study by developing a computational framework of CTV-to-PTV margins with taking the interfractional shape variations into account based on point distribution model (PDM) Methods: The systematic and random errors for interfractional shape variations and translations of target volumes were evaluated for four types of CTV regions (only a prostate, a prostate plus proximal 1-cm seminal vesicles, a prostate plus proximal 2-cmmore » seminal vesicles, and a prostate plus whole seminal vesicles). The CTV regions were delineated depending on prostate cancer risk groups on planning computed tomography (CT) and cone beam CT (CBCT) images of 73 fractions of 10 patients. The random and systematic errors for shape variations of CTV regions were derived from PDMs of CTV surfaces for all fractions of each patient. Systematic errors of shape variations of CTV regions were derived by comparing PDMs between planning CTV surfaces and average CTV surfaces. Finally, anisotropic CTV-to-PTV margins with shape variations in 6 directions (anterior, posterior, superior, inferior, right, and left) were computed by using a van Herk margin formula. Results: Differences between CTV-to-PTV margins with and without shape variations ranged from 0.7 to 1.7 mm in anterior direction, 1.0 to 2.8 mm in posterior direction, 0.8 to 2.8 mm in superior direction, 0.6 to 1.6 mm in inferior direction, 1.4 to 4.4 mm in right direction, and 1.3 to 5.2 mm in left direction. Conclusion: More than 1.0 mm additional margins were needed at least in 3 directions to guarantee CTV coverage due to shape variations. Therefore, shape variations should be taken into account for the determination of CTV-to-PTV margins.« less

Application of Suomi-NPP Green Vegetation Fraction and NUCAPS for Improving Regional Numerical Weather Prediction

NASA Technical Reports Server (NTRS)

Case, Jonathan L.; Berndt, Emily B.; Srikishen, Jayanthi; Zavodsky, Bradley T.

2014-01-01

The NASA SPoRT Center is working to incorporate Suomi-NPP products into its research and transition activities to improve regional numerical weather prediction (NWP). Specifically, SPoRT seeks to utilize two data products from NOAA/NESDIS: (1) daily global VIIRS green vegetation fraction (GVF), and (2) NOAA Unique CrIS and ATMS Processing System (NUCAPS) temperature and moisture retrieved profiles. The goal of (1) is to improve the representation of vegetation in the Noah land surface model (LSM) over existing climatological GVF datasets in order to improve the land-atmosphere energy exchanges in NWP models and produce better temperature, moisture, and precipitation forecasts. The goal of (2) is to assimilate NUCAPS retrieved profiles into the Gridpoint Statistical Interpolation (GSI) data assimilation system to assess the impact on a summer pre-frontal convection case. Most regional NWP applications make use of a monthly GVF climatology for use in the Noah LSM within the Weather Research and Forecasting (WRF) model. The GVF partitions incoming energy into direct surface heating/evaporation over bare soil versus evapotranspiration processes over vegetated surfaces. Misrepresentations of the fractional coverage of vegetation during anomalous weather/climate regimes (e.g., early/late bloom or freeze; drought) can lead to poor NWP model results when land-atmosphere feedback is important. SPoRT has been producing a daily MODIS GVF product based on the University of Wisconsin Direct Broadcast swaths of Normalized Difference Vegetation Index (NDVI). While positive impacts have been demonstrated in the WRF model for some cases, the reflectances composing these NDVI do not correct for atmospheric aerosols nor satellite view angle, resulting in temporal noisiness at certain locations (especially heavy vegetation). The method behind the NESDIS VIIRS GVF is expected to alleviate the issues seen in the MODIS GVF real-time product, thereby offering a higher-quality dataset for modeling applications. SPoRT is evaluating the VIIRS GVF data against the MODIS real-time and climatology GVF in both WRF and the NASA Land Information System. SPoRT has a history of assimilating hyperspectral infrared retrieved profiles

A Spatial Heterodyne Spectrometer for Laboratory Astrophysics; First Interferogram

NASA Technical Reports Server (NTRS)

Lawler, J. E.; Labby, Z. E.; Roesler, F. L.; Harlander, J.

2006-01-01

A Spatial Heterodyne Spectrometer with broad spectral coverage across the VUV - UV region and with a high (> 500,000 ) spectral resolving power is being built for laboratory measurements of spectroscopic data including emission branching fractions, improved level energies, and hyperfine/isotopic parameters.

Incomplete aneurysm coverage after patent foramen ovale closure in patients with huge atrial septal aneurysm: effects on left atrial functional remodeling.

PubMed

Rigatelli, Gianluca; Ronco, Federico; Cardaioli, Paolo; Dell'avvocata, Fabio; Braggion, Gabriele; Giordan, Massimo; Aggio, Silvio

2010-08-01

Large devices are often implanted to treat patent foramen ovale (PFO) and atrial septal aneurysm (ASA) with increase risk of erosion and thrombosis. Our study is aimed to assess the impact on left atrium functional remodeling and clinical outcomes of partial coverage of the approach using moderately small Amplatzer ASD Cribriform Occluder in patients with large PFO and ASA. We prospectively enrolled 30 consecutive patients with previous stroke (mean age 36 +/- 9.5 years, 19 females), significant PFO, and large ASA referred to our center for catheter-based PFO closure. Left atrium (LA) passive and active emptying, LA conduit function, and LA ejection fraction were computed before and after 6 months from the procedure by echocardiography. The preclosure values were compared to values of a normal healthy population of sex and heart rate matched 30 patients. Preclosure values demonstrated significantly greater reservoir function as well as passive and active emptying, with significantly reduced conduit function and LA ejection fraction, when compared normal healthy subjects. All patients underwent successful transcatheter closure (25 mm device in 15 patients, 30 mm device in 6 patients, mean ratio device/diameter of the interatrial septum = 0.74). Incomplete ASA coverage in both orthogonal views was observed in 21 patients. Compared to patients with complete coverage, there were no differences in LA functional parameters and occlusion rates. This study confirmed that large ASAs are associated with LA dysfunction. The use of relatively small Amplatzer ASD Cribriform Occluder devices is probably effective enough to promote functional remodeling of the left atrium.

Density functional theory with van der waals corrections study of the adsorption of alkyl, alkylthiol, alkoxyl, and amino-alkyl chains on the H:Si(111) surface.

PubMed

Arefi, Hadi H; Nolan, Michael; Fagas, Giorgos

2014-11-11

Surface modification of silicon with organic monolayers tethered to the surface by different linkers is an important process in realizing future miniaturized electronic and sensor devices. Understanding the roles played by the nature of the linking group and the chain length on the adsorption structures and stabilities of these assemblies is vital to advance this technology. This paper presents a density functional theory (DFT) study of the hydrogen passivated Si(111) surface modified with alkyl chains of the general formula H:Si-(CH2)n-CH2 and H:Si-X-(CH2)n-CH3, where X = NH, O, S and n = (0, 1, 3, 5, 7, 9, 11), at half coverage. For (X)-hexane and (X)-dodecane functionalization, we also examined various coverages up to full monolayer grafting in order to validate the result of half covered surface and the linker effect on the coverage. We find that it is necessary to take into account the van der Waals interaction between the alkyl chains. The strongest binding is for the oxygen linker, followed by S, N, and C, irrespective of chain length. The result revealed that the sequence of the stability is independent of coverage; however, linkers other than carbon can shift the optimum coverage considerably and allow further packing density. For all linkers apart from sulfur, structural properties, in particular, surface-linker-chain angles, saturate to a single value once n > 3. For sulfur, we identify three regimes, namely, n = 0-3, n = 5-7, and n = 9-11, each with its own characteristic adsorption structures. Where possible, our computational results are shown to be consistent with the available experimental data and show how the fundamental structural properties of modified Si surfaces can be controlled by the choice of linking group and chain length.

Soft Landing of Bare Nanoparticles with Controlled Size, Composition, and Morphology

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

Johnson, Grant E.; Colby, Robert J.; Laskin, Julia

2015-01-01

A kinetically-limited physical synthesis method based on magnetron sputtering and gas aggregation has been coupled with size-selection and ion soft landing to prepare bare metal nanoparticles on surfaces with controlled coverage, size, composition, and morphology. Employing atomic force microscopy (AFM) and scanning electron microscopy (SEM), it is demonstrated that the size and coverage of bare nanoparticles soft landed onto flat glassy carbon and silicon as well as stepped graphite surfaces may be controlled through size-selection with a quadrupole mass filter and the length of deposition, respectively. The bare nanoparticles are observed with AFM to bind randomly to the flat glassymore » carbon surface when soft landed at relatively low coverage (1012 ions). In contrast, on stepped graphite surfaces at intermediate coverage (1013 ions) the soft landed nanoparticles are shown to bind preferentially along step edges forming extended linear chains of particles. At the highest coverage (5 x 1013 ions) examined in this study the nanoparticles are demonstrated with both AFM and SEM to form a continuous film on flat glassy carbon and silicon surfaces. On a graphite surface with defects, however, it is shown with SEM that the presence of localized surface imperfections results in agglomeration of nanoparticles onto these features and the formation of neighboring depletion zones that are devoid of particles. Employing high resolution scanning transmission electron microscopy in the high angular annular dark field imaging mode (STEM-HAADF) and electron energy loss spectroscopy (EELS) it is demonstrated that the magnetron sputtering/gas aggregation synthesis technique produces single metal particles with controlled morphology as well as bimetallic alloy nanoparticles with clearly defined core-shell structure. Therefore, this kinetically-limited physical synthesis technique, when combined with ion soft landing, is a versatile complementary method for preparing a wide range of bare supported nanoparticles with selected properties that are free of the solvent, organic capping agents, and residual reactants present with nanoparticles synthesized in solution.« less

Structural and electronic properties of AlN(0001) surface under partial N coverage as determined by ab initio approach

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

Strak, Pawel; Sakowski, Konrad; Kempisty, Pawel

2015-09-07

Properties of bare and nitrogen-covered Al-terminated AlN(0001) surface were determined using density functional theory (DFT) calculations. At a low nitrogen coverage, the Fermi level is pinned by Al broken bond states located below conduction band minimum. Adsorption of nitrogen is dissociative with an energy gain of 6.05 eV/molecule at a H3 site creating an overlap with states of three neighboring Al surface atoms. During this adsorption, electrons are transferred from Al broken bond to topmost N adatom states. Accompanying charge transfer depends on the Fermi level. In accordance with electron counting rule (ECR), the DFT results confirm the Fermi levelmore » is not pinned at the critical value of nitrogen coverage θ{sub N}(1) = 1/4 monolayer (ML), but it is shifted from an Al-broken bond state to Np{sub z} state. The equilibrium thermodynamic potential of nitrogen in vapor depends drastically on the Fermi level pinning being shifted by about 4 eV for an ECR state at 1/4 ML coverage. For coverage above 1/4 ML, adsorption is molecular with an energy gain of 1.5 eV at a skewed on-top position above an Al surface atom. Electronic states of the admolecule are occupied as in the free molecule, no electron transfer occurs and adsorption of a N{sub 2} molecule does not depend on the Fermi level. The equilibrium pressure of molecular nitrogen above an AlN(0001) surface depends critically on the Fermi level position, being very low and very high for low and high coverage, respectively. From this fact, one can conclude that at typical growth conditions, the Fermi level is not pinned, and the adsorption and incorporation of impurities depend on the position of Fermi level in the bulk.« less

Remote sensing, geographical information systems, and spatial modeling for analyzing public transit services

NASA Astrophysics Data System (ADS)

Wu, Changshan

Public transit service is a promising transportation mode because of its potential to address urban sustainability. Current ridership of public transit, however, is very low in most urban regions, particularly those in the United States. This woeful transit ridership can be attributed to many factors, among which poor service quality is key. Given this, there is a need for transit planning and analysis to improve service quality. Traditionally, spatially aggregate data are utilized in transit analysis and planning. Examples include data associated with the census, zip codes, states, etc. Few studies, however, address the influences of spatially aggregate data on transit planning results. In this research, previous studies in transit planning that use spatially aggregate data are reviewed. Next, problems associated with the utilization of aggregate data, the so-called modifiable areal unit problem (MAUP), are detailed and the need for fine resolution data to support public transit planning is argued. Fine resolution data is generated using intelligent interpolation techniques with the help of remote sensing imagery. In particular, impervious surface fraction, an important socio-economic indicator, is estimated through a fully constrained linear spectral mixture model using Landsat Enhanced Thematic Mapper Plus (ETM+) data within the metropolitan area of Columbus, Ohio in the United States. Four endmembers, low albedo, high albedo, vegetation, and soil are selected to model heterogeneous urban land cover. Impervious surface fraction is estimated by analyzing low and high albedo endmembers. With the derived impervious surface fraction, three spatial interpolation methods, spatial regression, dasymetric mapping, and cokriging, are developed to interpolate detailed population density. Results suggest that cokriging applied to impervious surface is a better alternative for estimating fine resolution population density. With the derived fine resolution data, a multiple route maximal covering/shortest path (MRMCSP) model is proposed to address the tradeoff between public transit service quality and access coverage in an established bus-based transit system. Results show that it is possible to improve current transit service quality by eliminating redundant or underutilized service stops. This research illustrates that fine resolution data can be efficiently generated to support urban planning, management and analysis. Further, this detailed data may necessitate the development of new spatial optimization models for use in analysis.

Morphology and kinematics of orbital components in CALIFA galaxies across the Hubble sequence

NASA Astrophysics Data System (ADS)

Zhu, Ling; van de Ven, Glenn; Méndez-Abreu, Jairo; Obreja, Aura

2018-06-01

Based on the stellar orbit distribution derived from orbit-superposition Schwarzschild models, we decompose each of 250 representative present-day galaxies into four orbital components: cold with strong rotation, warm with weak rotation, hot with dominant random motion and counter-rotating (CR). We rebuild the surface brightness (Σ) of each orbital component and we present in figures and tables a quantification of their morphologies using the Sersic index n, concentration C = log {(Σ _{0.1R_e}/Σ _{R_e})} and intrinsic flattening qRe and qRmax, with Re the half-light-radius and Rmax the CALIFA data coverage. We find that: (1) kinematic hotter components are generally more concentrated and rounder than colder components, and (2) all components become more concentrated and thicker/rounder in more massive galaxies; they change from disk-like in low mass late-type galaxies to bulge-like in high-mass early type galaxies. Our findings suggest that Sersic n is not a good discriminator between rotating bulges and non-rotating bulges. The luminosity fraction of cold orbits fcold is well correlated with the photometrically-decomposed disk fraction fdisk as f_{cold} = 0.14 + 0.23f_{disk}. Similarly, the hot orbit fraction fhot is correlated with the bulge fraction fbulge as f_{hot} = 0.19 + 0.31f_{bulge}. The warm orbits mainly contribute to disks in low-mass late-type galaxies, and to bulges in high-mass early-type galaxies. The cold, warm, and hot components generally follow the same morphology (ɛ = 1 - qRmax) versus kinematics (σ _z^2/\\overline{V_{tot}^2}) relation as the thin disk, thick disk/pseudo bulge, and classical bulge identified from cosmological simulations.

Simultaneous dynamic optical and electrical properties of endothelial cell attachment on indium tin oxide bioelectrodes.

PubMed

Choi, Chang K; English, Anthony E; Kihm, Kenneth D; Margraves, Charles H

2007-01-01

This study quantifies the dynamic attachment and spreading of porcine pulmonary artery endothelial cells (PPAECs) on optically thin, indium tin oxide (ITO) biosensors using simultaneous differential interference contrast microscopy (DICM) and electrical microimpedance spectroscopy. A lock-in amplifier circuit monitored the impedance of PPAECs cultivated on the transparent ITO bioelectrodes as a function of frequency between 10 Hz and 100 kHz and as a function of time, while DICM images were simultaneously acquired. A digital image processing algorithm quantified the cell-covered electrode area as a function of time. The results of this study show that the fraction of the cell-covered electrode area is in qualitative agreement with the electrical impedance during the attachment phase following the cell settling on the electrode surface. The possibility of several distinctly different states of electrode coverage and cellular attachment giving rise to similar impedance signals is discussed.

A comparative study of the adsorption equilibrium of progesterone by a carbon black and a commercial activated carbon

NASA Astrophysics Data System (ADS)

Valenzuela-Calahorro, Cristóbal; Navarrete-Guijosa, Antonio; Stitou, Mostafa; Cuerda-Correa, Eduardo M.

2007-04-01

In this paper the adsorption process of a natural steroid hormone (progesterone) by a carbon black and a commercial activated carbon has been studied. The corresponding equilibrium isotherms have been analyzed according to a previously proposed model which establishes a kinetic law satisfactorily fitting the C versus t isotherms. The analysis of the experimental data points out the existence of two well-defined sections in the equilibrium isotherms. A general equation including these two processes has been proposed, the global adsorption process being fitted to such equation. From the values of the kinetic equilibrium constant so obtained, values of standard average adsorption enthalpy ( ΔH°) and entropy ( ΔS°) have been calculated. Finally, information related to variations of differential adsorption enthalpy ( ΔH) and entropy ( ΔS) with the surface coverage fraction ( θ) was obtained by using the corresponding Clausius-Clapeyron equations.

Comparison of the Photodesorption Activities of cis-Butene, trans-Butene and Isobutene on the Rutile TiO 2(110) Surface

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

Henderson, Michael A.

2013-10-17

The chemical and photochemical properties of three butene molecules (cis-butene, trans-butene and isobutene) were explored on the clean rutile TiO 2(110) surface using temperature programmed desorption (TPD) and photon simulated desorption (PSD). At the low coverage limit, trans-butene was the most strongly bound butene on the TiO 2(110) surface, desorbing at ~ 210 K, however increased intermolecular repulsions between trans-butene molecules at higher coverage diminished its binding. Both cis-butene and isobutene saturated the first layer on TiO 2(110) at a coverage of ~0.50 ML in a single TPD feature at 184 and 192 K, respectively. In contrast, the maximum coveragemore » that trans-butene could achieve in its 210 K peak was ~1/3 ML, with higher coverages resulting a low temperature desorption at ~137 K. Coverages of these molecules above 0.50 ML resulted in population of second layer and multilayer states. The instability of trans-butene at a coverage of 0.5 ML on the surface was linked to the inversion center in its symmetry. In the absence of coadsorbed oxygen, the primary photochemical pathway of each butene molecule on TiO 2(110) was photodesorption. The photoactivities of these molecules on TiO 2(110) at an initial coverage of 0.50 ML followed the trend: isobutene > cis-butene > trans-butene. In contrast, the photoactivities of low coverages of cis-butene and trans-butene exceeded those measured at 0.50 ML. These data suggest that intermolecular interactions (repulsions) play a significant role in diminishing the photoactivities of weakly bound molecules on TiO 2 photocatalysts. Work reported here was supported by the U.S. Department of Energy, Office of Basic Energy Science, Division of Chemical Sciences, Geosciences, and Biosciences, and performed in the Williams R. Wiley Environmental Molecular Science Laboratory (EMSL), a Department of Energy user facility funded by the Office of Biological and Environmental Research. Pacific Northwest National Laboratory is a multiprogram national laboratory operated for the U.S. Department of Energy by the Battelle Memorial Institute under contract DEAC05-76RL01830.« less

Peano-like paths for subaperture polishing of optical aspherical surfaces.

PubMed

Tam, Hon-Yuen; Cheng, Haobo; Dong, Zhichao

2013-05-20

Polishing can be more uniform if the polishing path provides uniform coverage of the surface. It is known that Peano paths can provide uniform coverage of planar surfaces. Peano paths also contain short path segments and turns: (1) all path segments have the same length, (2) path segments are mutually orthogonal at the turns, and (3) path segments and turns are uniformity distributed over the domain surface. These make Peano paths an attractive candidate among polishing tool paths because they enhance multidirectional approaches of the tool to each surface location. A method for constructing Peano paths for uniform coverage of aspherical surfaces is proposed in this paper. When mapped to the aspherical surface, the path also contains short path segments and turns, and the above attributes are approximately preserved. Attention is paid so that the path segments are still well distributed near the vertex of the surface. The proposed tool path was used in the polishing of a number of parabolic BK7 specimens using magnetorheological finishing (MRF) and pitch with cerium oxide. The results were rather good for optical lenses and confirm that a Peano-like path was useful for polishing, for MRF, and for pitch polishing. In the latter case, the surface roughness achieved was 0.91 nm according to WYKO measurement.

Nanoporous Gold as a Neural Interface Coating: Effects of Topography, Surface Chemistry, and Feature Size

DOE PAGES

Chapman, Christopher A. R.; Chen, Hao; Stamou, Marianna; ...

2015-02-23

We report that designing neural interfaces that maintain close physical coupling of neurons to an electrode surface remains a major challenge for both implantable and in vitro neural recording electrode arrays. Typically, low-impedance nanostructured electrode coatings rely on chemical cues from pharmaceuticals or surface-immobilized peptides to suppress glial scar tissue formation over the electrode surface (astrogliosis), which is an obstacle to reliable neuron–electrode coupling. Nanoporous gold (np-Au), produced by an alloy corrosion process, is a promising candidate to reduce astrogliosis solely through topography by taking advantage of its tunable length scale. In the present in vitro study on np-Au’s interactionmore » with cortical neuron–glia co-cultures, we demonstrate that the nanostructure of np-Au achieves close physical coupling of neurons by maintaining a high neuron-to-astrocyte surface coverage ratio. Atomic layer deposition-based surface modification was employed to decouple the effect of morphology from surface chemistry. Additionally, length scale effects were systematically studied by controlling the characteristic feature size of np-Au through variations in the dealloying conditions. In conclusion, our results show that np-Au nanotopography, not surface chemistry, reduces astrocyte surface coverage while maintaining high neuronal coverage and may enhance neuron–electrode coupling through nanostructure-mediated suppression of scar tissue formation.« less

Peierls instability as the insulating origin of the Na/Si(111)-(3 × 1) surface with a Na coverage of 2/3 monolayers

NASA Astrophysics Data System (ADS)

Kang, Myung Ho; Kwon, Se Gab; Jung, Sung Chul

2018-03-01

Density functional theory (DFT) calculations are used to investigate the insulating origin of the Na/Si(111)-(3 × 1) surface with a Na coverage of 2/3 monolayers. In the coverage definition, one monolayer refers to one Na atom per surface Si atom, so this surface contains an odd number of electrons (i.e., three Si dangling-bond electrons plus two Na electrons) per 3 × 1 unit cell. Interestingly, this odd-electron surface has been ascribed to a Mott-Hubbard insulator to account for the measured insulating band structure with a gap of about 0.8 eV. Here, we instead propose a Peierls instability as the origin of the experimental band gap. The concept of Peierls instability is fundamental in one-dimensional metal systems but has not been taken into account in previous studies of this surface. Our DFT calculations demonstrate that the linear chain structure of Si dangling bonds in this surface is energetically unstable with respect to a × 2 buckling modulation, and the buckling-induced band gap of 0.79 eV explains well the measured insulating nature.

Surface states and annihilation characteristics of positrons trapped at the oxidized Cu(100) surface

NASA Astrophysics Data System (ADS)

Fazleev, N. G.; Weiss, A. H.

2013-06-01

In this work we present the results of theoretical studies of positron surface and bulk states and annihilation probabilities of surface-trapped positrons with relevant core electrons at the oxidized Cu(100) surface under conditions of high oxygen coverage. Oxidation of the Cu(100) surface has been studied by performing an ab-initio investigation of the stability and electronic structure of the Cu(100) missing row reconstructed surface at various on-surface and subsurface oxygen coverages ranging from 0.5 to 1.5 monolayers using density functional theory (DFT). All studied structures have been found to be energetically more favorable as compared to structures formed by purely on-surface oxygen adsorption. The observed decrease in the positron work function when oxygen atoms occupy on-surface and subsurface sites has been attributed to a significant charge redistribution within the first two layers, buckling effects within each layer and an interlayer expansion. The computed positron binding energy, positron surface state wave function, and annihilation probabilities of the surface trapped positrons with relevant core electrons demonstrate their sensitivity to oxygen coverage, atomic structure of the topmost layers of surfaces, and charge transfer effects. Theoretical results are compared with experimental data obtained from studies of oxidation of the Cu(100) surface using positron annihilation induced Auger electron spectroscopy (PAES). The results presented provide an explanation for the changes observed in the probability of annihilation of surface trapped positrons with Cu 3p core-level electrons as a function of annealing temperature.

ReaxFF Grand Canonical Monte Carlo simulation of adsorption and dissociation of oxygen on platinum (111)

NASA Astrophysics Data System (ADS)

Valentini, Paolo; Schwartzentruber, Thomas E.; Cozmuta, Ioana

2011-12-01

Atomic-level Grand Canonical Monte Carlo (GCMC) simulations equipped with a reactive force field (ReaxFF) are used to study atomic oxygen adsorption on a Pt(111) surface. The off-lattice GCMC calculations presented here rely solely on the interatomic potential and do not necessitate the pre-computation of surface adlayer structures and their interpolation. As such, they provide a predictive description of adsorbate phases. In this study, validation is obtained with experimental evidence (steric heats of adsorption and isotherms) as well as DFT-based state diagrams available in the literature. The ReaxFF computed steric heats of adsorption agree well with experimental data, and this study clearly shows that indirect dissociative adsorption of O2 on Pt(111) is an activated process at non-zero coverages, with an activation energy that monotonically increases with coverage. At a coverage of 0.25 ML, a highly ordered p(2 × 2) adlayer is found, in agreement with several low-energy electron diffraction observations. Isotherms obtained from the GCMC simulations compare qualitatively and quantitatively well with previous DFT-based state diagrams, but are in disagreement with the experimental data sets available. ReaxFF GCMC simulations at very high coverages show that O atoms prefer to bind in fcc hollow sites, at least up to 0.8 ML considered in the present work. At moderate coverages, little to no disorder appears in the Pt lattice. At high coverages, some Pt atoms markedly protrude out of the surface plane. This observation is in qualitative agreement with recent STM images of an oxygen covered Pt surface. The use of the GCMC technique based on a transferable potential is particularly valuable to produce more realistic systems (adsorbent and adsorbate) to be used in subsequent dynamical simulations (Molecular Dynamics) to address recombination reactions (via either Eley-Rideal or Langmuir-Hinshelwood mechanisms) on variously covered surfaces. By using GCMC and Molecular Dynamics simulations, the ReaxFF force field can be a valuable tool for understanding heterogeneous catalysis on a solid surface. Finally, the use of a reactive potential is a necessary requirement to investigate problems where dissociative adsorption occurs, as typical of many important catalytic processes.

Stages of Se adsorption on Au(111): A combined XPS, LEED, TOF-DRS, and DFT study

NASA Astrophysics Data System (ADS)

Ruano, G.; Tosi, E.; Sanchez, E.; Abufager, P.; Martiarena, M. L.; Grizzi, O.; Zampieri, G.

2017-08-01

We have studied the adsorption of Se on the surface Au(111) using XPS, TOF-DRS, LEED and DFT calculations. The use of a doser that operates in vacuum allowed us to investigate all the stages of the adsorption from the clean surface up to the formation of multilayers. In the monolayer regime we have found two ordered phases with distinctive LEED patterns. The LEED pattern of the first phase presents three fractional spots arranged symmetrically around the positions of the spots in a √3x√3 pattern. The analysis of this pattern suggests the formation of either a nxn superstructure of √3x√3 domains with n=19 or n=22, or that the adsorption occurs without removing the 22x√3 herringbone reconstruction of the gold surface. This last possibility is in accordance with DFT calculations which show that the charge transfer to a Se adsorbate might not be enough to destabilize the surface reconstruction. Increasing the coverage, beyond 0.3 ML a new LEED pattern appears with broad spots which upon annealing at 150 °C become well defined indicating a 1×8 periodicity. At the highest doses we have observed the formation of multilayers with no discernible LEED pattern. The comparison with adsorption experiments carried out in liquid solutions show similarities and also some important differences.

Seasonal Change in Titan's Cloud Activity Observed with IRTF/SpeX

NASA Astrophysics Data System (ADS)

Schaller, Emily L.; Brown, M. E.; Roe, H. G.

2006-09-01

We have acquired whole disk spectra of Titan on nineteen nights with IRTF/SpeX over a three-month period in the spring of 2006. The data encompass the spectral range of 0.8 to 2.4 microns at a resolution of 375. These disk-integrated spectra allow us to determine Titan's total fractional cloud coverage and altitudes of clouds present. We find that Titan had less than 0.15% fractional cloud coverage on all but one of the nineteen nights. The near lack of cloud activity in these spectra is in sharp contrast to nearly every spectrum taken from 1995-1999 with UKIRT by Griffith et al. (1998 & 2000) who found rapidly varying clouds covering 0.5% of Titan's disk. The differences in these two similar datasets indicate a striking seasonal change in the behavior of Titan's clouds. Observations of the latitudes, magnitudes, altitudes, and frequencies of Titan's clouds as Titan moves toward southern autumnal equinox in 2009 will help elucidate when and how Titan's methane hydrological cycle changes with season.

Electromagnetic-Guided MLC Tracking Radiation Therapy for Prostate Cancer Patients: Prospective Clinical Trial Results.

PubMed

Keall, Paul J; Colvill, Emma; O'Brien, Ricky; Caillet, Vincent; Eade, Thomas; Kneebone, Andrew; Hruby, George; Poulsen, Per R; Zwan, Benjamin; Greer, Peter B; Booth, Jeremy

2018-06-01

To report on the primary and secondary outcomes of a prospective clinical trial of electromagnetic-guided multileaf collimator (MLC) tracking radiation therapy for prostate cancer. Twenty-eight men with prostate cancer were treated with electromagnetic-guided MLC tracking with volumetric modulated arc therapy. A total of 858 fractions were delivered, with the dose per fraction ranging from 2 to 13.75 Gy. The primary outcome was feasibility, with success determined if >95% of fractions were successfully delivered. The secondary outcomes were (1) the improvement in beam-target geometric alignment, (2) the improvement in dosimetric coverage of the prostate and avoidance of critical structures, and (3) no acute grade ≥3 genitourinary or gastrointestinal toxicity. All 858 planned fractions were successfully delivered with MLC tracking, demonstrating the primary outcome of feasibility (P < .001). MLC tracking improved the beam-target geometric alignment from 1.4 to 0.90 mm (root-mean-square error). MLC tracking improved the dosimetric coverage of the prostate and reduced the daily variation in dose to critical structures. No acute grade ≥3 genitourinary or gastrointestinal toxicity was observed. Electromagnetic-guided MLC tracking radiation therapy for prostate cancer is feasible. The patients received improved geometric targeting and delivered dose distributions that were closer to those planned than they would have received without electromagnetic-guided MLC tracking. No significant acute toxicity was observed. Copyright © 2018 Elsevier Inc. All rights reserved.

Distribution, characterization, and exposure of MC252 oil in the supratidal beach environment.

PubMed

Lemelle, Kendall R; Elango, Vijaikrishnah; Pardue, John H

2014-07-01

The distribution and characteristics of MC252 oil:sand aggregates, termed surface residue balls (SRBs), were measured on the supratidal beach environment of oil-impacted Fourchon Beach in Louisiana (USA). Probability distributions of 4 variables, surface coverage (%), size of SRBs (mm(2) of projected area), mass of SRBs per m(2) (g/m(2)), and concentrations of polycyclic aromatic hydrocarbons (PAHs) and n-alkanes in the SRBs (mg of crude oil component per kg of SRB) were determined using parametric and nonparametric statistical techniques. Surface coverage of SRBs, an operational remedial standard for the beach surface, was a gamma-distributed variable ranging from 0.01% to 8.1%. The SRB sizes had a mean of 90.7 mm(2) but fit no probability distribution, and a nonparametric ranking was used to describe the size distributions. Concentrations of total PAHs ranged from 2.5 mg/kg to 126 mg/kg of SRB. Individual PAH concentration distributions, consisting primarily of alkylated phenanthrenes, dibenzothiophenes, and chrysenes, did not consistently fit a parametric distribution. Surface coverage was correlated with an oil mass per unit area but with a substantial error at lower coverage (i.e., <2%). These data provide probabilistic risk assessors with the ability to specify uncertainty in PAH concentration, exposure frequency, and ingestion rate, based on SRB characteristics for the dominant oil form on beaches along the US Gulf Coast. © 2014 SETAC.

Excitability in the H{sub 2}+O{sub 2} reaction on a Rh(110) surface induced by high coverages of coadsorbed potassium

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

Rafti, Matías; Imbihl, Ronald, E-mail: imbihl@pci.uni-hannover.de

2014-12-07

By means of photoemission electron microscopy as spatially resolving method, the effect of high coverages of coadsorbed potassium (0.16 ≤ θ{sub K} ≤ 0.21) on the dynamical behavior of the H{sub 2} + O{sub 2} reaction over a Rh(110) surface was investigated. We observe that the originally bistable system is transformed into an excitable system as evidenced by the formation of target patterns and spiral waves. At K coverages close to saturation (θ{sub K} ≈ 0.21) mass transport of potassium with pulses is seen.

Parsivel Disdrometer Support for MAGIC Field Campaign Report

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

Kollias, Pavlos; Bartholomew, Mary Jane

2016-06-01

In the Marine ARM GPCI Investigation of Clouds (MAGIC) field campaign, the U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) Climate Research Facility’s second Mobile Facility (AMF2) was deployed on the Horizon Lines cargo ship Spirit traversing a route between Los Angeles, California and Honolulu, Hawaii for one full year. The transect for this deployment was chosen specifically because it crosses the stratocumulus-to-cumulus transition of the North-East Pacific, a region of great climatic interest and a close approximation to the transect used for several focused model intercomparison efforts. The cloud type and cover along this transect vary from lowmore » marine stratocumulus with high areal coverage near the California coast to isolated shallow cumulus with much lower areal coverage in the trade wind regime near Hawaii. The low marine stratocumulus decks, with their high albedo, exert a major influence on the shortwave radiation budget in the ocean environment, and thus provide an extremely important forcing of Earth’s climate. The trade cumulus clouds play a large role in the global surface evaporation and also in Earth’s albedo. One of the important science drivers of the MAGIC campaign was to measure the properties of clouds and precipitation, specifically cloud type, fractional coverage, base height, physical thickness, liquid water path (LWP), optical depth, and drizzle and precipitation frequency, amount, and extent. Retrievals of cloud and precipitation properties during the MAGIC campaign relied critically on the calibration of the AMF2 radar systems. For MAGIC this included the KAZR and M-WACR, both fixed zenith-pointing systems, and the 1290 MHz beam steerable wind profiler.« less

ENSO shifts and their link to Southern Africa surface air temperature in summer

NASA Astrophysics Data System (ADS)

Manatsa, D.; Mukwada, G.; Makaba, L.

2018-05-01

ENSO has been known to influence the trends of summer warming over Southern Africa. In this work, we used observational and reanalysis data to analyze the relationship between ENSO and maximum surface air temperature (SATmax) trends during the three epochs created by the ENSO phase shifts around 1977 and 1997 for the period 1960 to 2014. We observed that while ENSO and cloud cover remains the dominant factor controlling SATmax variability, the first two epochs had the predominant La Niña (El Niño)-like events connected to robust positive (negative) trends in cloud fraction. However, this established relationship reversed in the post-1997 La Niña-like dominated epoch which coincided with a falling cloud cover trend. It is established that this deviation from the previously established link within the previous epochs could be due to the post-1998 era in which SATmin was suppressed while SATmax was enhanced. The resulting increase in diurnal temperature range (DTR) could have discouraged the formation of low-level clouds which have relatively more extensive areal coverage and hence allowing more solar energy to reach the surface to boost daytime SATmax. It is noted that these relationships are more pronounced from December to March.

Satellite-based trends of solar radiation and cloud parameters in Europe

NASA Astrophysics Data System (ADS)

Pfeifroth, Uwe; Bojanowski, Jedrzej S.; Clerbaux, Nicolas; Manara, Veronica; Sanchez-Lorenzo, Arturo; Trentmann, Jörg; Walawender, Jakub P.; Hollmann, Rainer

2018-04-01

Solar radiation is the main driver of the Earth's climate. Measuring solar radiation and analysing its interaction with clouds are essential for the understanding of the climate system. The EUMETSAT Satellite Application Facility on Climate Monitoring (CM SAF) generates satellite-based, high-quality climate data records, with a focus on the energy balance and water cycle. Here, multiple of these data records are analyzed in a common framework to assess the consistency in trends and spatio-temporal variability of surface solar radiation, top-of-atmosphere reflected solar radiation and cloud fraction. This multi-parameter analysis focuses on Europe and covers the time period from 1992 to 2015. A high correlation between these three variables has been found over Europe. An overall consistency of the climate data records reveals an increase of surface solar radiation and a decrease in top-of-atmosphere reflected radiation. In addition, those trends are confirmed by negative trends in cloud cover. This consistency documents the high quality and stability of the CM SAF climate data records, which are mostly derived independently from each other. The results of this study indicate that one of the main reasons for the positive trend in surface solar radiation since the 1990's is a decrease in cloud coverage even if an aerosol contribution cannot be completely ruled out.

Comprehensive Evaluation of Urban Sprawl on Ecological Environment Using Multi-Source Data: a Case Study of Beijing

NASA Astrophysics Data System (ADS)

Wang, Hao; Ning, Xiaogang; Zhu, Weiwei; Li, Fei

2016-06-01

With urban population growing and urban sprawling, urban ecological environment problems appear. Study on spatiotemporal characteristics of urban sprawl and its impact on ecological environment is useful for ecological civilization construction. Although a lot of work has been conducted on urban sprawl and its impact on ecological environment, resolution of images to extract urban boundary was relatively coarse and most studies only focused on certain indicators of ecological environment, rather than comprehensive evaluation of urban ecological environmental impact. In this study, high-resolution remote sensing images of Beijing from aerial photography in 2002 and 2013 respectively are employed to extract urban boundary with manual interpretation. Fractional Vegetation Coverage (FVC), Water Density (WD), Impervious Surfaces Coverage (ISC), Net Primary Production (NPP), and Land Surface Temperature (LST) are adopted to represent ecological environment. The ecological environment indicators are measured with some general algorithms by combining Landsat images, GIS data and metrological data of 243 day, 2001 and 244 day, 2013. In order to evaluate the impact of urban sprawl on ecological environment, pseudo changes due to metrological variation and other noise in this time period are removed after images calibration. The impact of urban sprawl on ecological environment is evaluated at different scales of urban extent, Beijing ring road and watershed. Results show that Beijing had been undergoing a rapid urbanization from 2002 to 2013, with urban area increase from 600 square kilometres to 987 square kilometres. All ecological environment indicators except LST became terrible in urban sprawl region, with carbon reduction of approximate 40508 tons. The Beiyun River watershed of Beijing degraded seriously since ISC increased to 0.59. Gratifyingly, ecological environment indicators including NDVI, NPP, and LST inside of 4th Ring Road became well.

δ2H isotopic flux partitioning of evapotranspiration over a grass field following a water pulse and subsequent dry down

NASA Astrophysics Data System (ADS)

Good, Stephen P.; Soderberg, Keir; Guan, Kaiyu; King, Elizabeth G.; Scanlon, Todd M.; Caylor, Kelly K.

2014-02-01

The partitioning of surface vapor flux (FET) into evaporation (FE) and transpiration (FT) is theoretically possible because of distinct differences in end-member stable isotope composition. In this study, we combine high-frequency laser spectroscopy with eddy covariance techniques to critically evaluate isotope flux partitioning of FET over a grass field during a 15 day experiment. Following the application of a 30 mm water pulse, green grass coverage at the study site increased from 0 to 10% of ground surface area after 6 days and then began to senesce. Using isotope flux partitioning, transpiration increased as a fraction of total vapor flux from 0% to 40% during the green-up phase, after which this ratio decreased while exhibiting hysteresis with respect to green grass coverage. Daily daytime leaf-level gas exchange measurements compare well with daily isotope flux partitioning averages (RMSE = 0.0018 g m-2 s-1). Overall the average ratio of FT to FET was 29%, where uncertainties in Keeling plot intercepts and transpiration composition resulted in an average of uncertainty of ˜5% in our isotopic partitioning of FET. Flux-variance similarity partitioning was partially consistent with the isotope-based approach, with divergence occurring after rainfall and when the grass was stressed. Over the average diurnal cycle, local meteorological conditions, particularly net radiation and relative humidity, are shown to control partitioning. At longer time scales, green leaf area and available soil water control FT/FET. Finally, we demonstrate the feasibility of combining isotope flux partitioning and flux-variance similarity theory to estimate water use efficiency at the landscape scale.

Mechanism of formation of humus coatings on mineral surfaces 2. Attenuated total reflectance spectra of hydrophobic and hydrophilic fractions of organic acids from compost leachate on alumina

USGS Publications Warehouse

Wershaw, R. L.; Llaguno, E.C.; Leenheer, J.A.; Sperline, R.P.; Song, Y.

1996-01-01

Hydrophobic and hydrophilic fractions were isolated from a compost leachate. The adsorption isotherms of both fractions on alumina were measured by attenuated total reflectance infrared spectroscopy. The shapes of the adsorption isotherms of the two fractions were different. The isotherms for the hydrophilic fraction showed little change in surface excess with increasing solution concentration above 4 mg L-1. The isotherms for the hydrophobic fraction, on the other hand, displayed a marked increase in surface excess with increasing solution concentration. This increase is evidence for the formation of aggregates (admicelles or hemimicelles) on the alumina surface. Linear dichroism calculations indicated that more of the carboxylate groups in the adsorbed hydrophobic molecules than in the absorbed hydrophilic fraction were free to rotate. The hindered rotation of the carboxylate groups in the adsorbed hydrophilic-fraction molecules probably indicates that these groups are bound to surface aluminum ions by a bidentate mechanism in which the two oxygen atoms of a single carboxylate group bind to separate aluminum ions.

Exploring the relationship between population density and maternal health coverage.

PubMed

Hanlon, Michael; Burstein, Roy; Masters, Samuel H; Zhang, Raymond

2012-11-21

Delivering health services to dense populations is more practical than to dispersed populations, other factors constant. This engenders the hypothesis that population density positively affects coverage rates of health services. This hypothesis has been tested indirectly for some services at a local level, but not at a national level. We use cross-sectional data to conduct cross-country, OLS regressions at the national level to estimate the relationship between population density and maternal health coverage. We separately estimate the effect of two measures of density on three population-level coverage rates (6 tests in total). Our coverage indicators are the fraction of the maternal population completing four antenatal care visits and the utilization rates of both skilled birth attendants and in-facility delivery. The first density metric we use is the percentage of a population living in an urban area. The second metric, which we denote as a density score, is a relative ranking of countries by population density. The score's calculation discounts a nation's uninhabited territory under the assumption those areas are irrelevant to service delivery. We find significantly positive relationships between our maternal health indicators and density measures. On average, a one-unit increase in our density score is equivalent to a 0.2% increase in coverage rates. Countries with dispersed populations face higher burdens to achieve multinational coverage targets such as the United Nations' Millennial Development Goals.

Chemically modified electrodes by nucleophilic substitution of chlorosilylated platinum oxide surfaces

NASA Astrophysics Data System (ADS)

Chen, Chun-Hsien; Hutchison, James H.; Postlethwaite, Timothy A.; Richardson, John N.; Murray, R. W.

1994-07-01

Chlorosilylated platinum oxide electrode surfaces can be generated by reaction of SiCl4 vapor with an electrochemically prepared monolayer of platinum oxide. A variety of nucleophilic agents (such as alcohols, amines, thiols, and Grignard reagents) can be used to displace chloride and thereby functionalize the metal surface. Electroactive surfaces prepared with ferrocene methanol as the nucleophile show that derivatization by small molecules can achieve coverages on the order of a full monolayer. Surfaces modified with long-chain alkyl groups efficiently block electrode reactions of redox probes dissolved in the contacting solution, but other electrochemical (double layer capacitance and surface coverage) and contact angle measurements suggest that these molecule films are not highly ordered, self-assembled monolayers.

Confetti: A Multiprotease Map of the HeLa Proteome for Comprehensive Proteomics*

PubMed Central

Guo, Xiaofeng; Trudgian, David C.; Lemoff, Andrew; Yadavalli, Sivaramakrishna; Mirzaei, Hamid

2014-01-01

Bottom-up proteomics largely relies on tryptic peptides for protein identification and quantification. Tryptic digestion often provides limited coverage of protein sequence because of issues such as peptide length, ionization efficiency, and post-translational modification colocalization. Unfortunately, a region of interest in a protein, for example, because of proximity to an active site or the presence of important post-translational modifications, may not be covered by tryptic peptides. Detection limits, quantification accuracy, and isoform differentiation can also be improved with greater sequence coverage. Selected reaction monitoring (SRM) would also greatly benefit from being able to identify additional targetable sequences. In an attempt to improve protein sequence coverage and to target regions of proteins that do not generate useful tryptic peptides, we deployed a multiprotease strategy on the HeLa proteome. First, we used seven commercially available enzymes in single, double, and triple enzyme combinations. A total of 48 digests were performed. 5223 proteins were detected by analyzing the unfractionated cell lysate digest directly; with 42% mean sequence coverage. Additional strong-anion exchange fractionation of the most complementary digests permitted identification of over 3000 more proteins, with improved mean sequence coverage. We then constructed a web application (https://proteomics.swmed.edu/confetti) that allows the community to examine a target protein or protein isoform in order to discover the enzyme or combination of enzymes that would yield peptides spanning a certain region of interest in the sequence. Finally, we examined the use of nontryptic digests for SRM. From our strong-anion exchange fractionation data, we were able to identify three or more proteotypic SRM candidates within a single digest for 6056 genes. Surprisingly, in 25% of these cases the digest producing the most observable proteotypic peptides was neither trypsin nor Lys-C. SRM analysis of Asp-N versus tryptic peptides for eight proteins determined that Asp-N yielded higher signal in five of eight cases. PMID:24696503

Identifying low-coverage surface species on supported noble metal nanoparticle catalysts by DNP-NMR

DOE PAGES

Johnson, Robert L.; Perras, Frédéric A.; Kobayashi, Takeshi; ...

2015-11-20

DNP-NMR spectroscopy has been applied to enhance the signal for organic molecules adsorbed on γ-Al 2O 3-supported Pd nanoparticles. In addition, by offering >2500-fold time savings, the technique enabled the observation of 13C- 13C cross-peaks for low coverage species, which were assigned to products from oxidative degradation of methionine adsorbed on the nanoparticle surface.

Adsorption of dextrin on hydrophobic minerals.

PubMed

Beaussart, Audrey; Mierczynska-Vasilev, Agnieszka; Beattie, David A

2009-09-01

The adsorption of dextrin on talc, molybdenite, and graphite (three naturally hydrophobic minerals) has been compared. Adsorption isotherms and in situ tapping mode atomic force microscope (TMAFM) imaging have enabled polymer adsorbed amount and morphology of the adsorbed layer (area coverage and polymer domain size) to be determined and also the amount of hydration water in the structure of the adsorbed layer. The effect of the polymer on the mineral contact angles, measured by the captive bubble method on cleaved mineral surfaces, indicates clear correlations between the hydrophobicity reduction of the minerals, the adsorbed amount, and the surface coverage of the adsorbed polymer. Predictions of the flotation recovery of the treated mineral phases have been confirmed by performing batch flotation experiments. The influence of the polymer surface coverage on flotation recovery has highlighted the importance of this key parameter in the predictions of depressant efficiency. The roles of the initial hydrophobicity and the surface structure of the mineral basal plane in determining adsorption parameters and flotation response of the polymer-treated minerals are also discussed.

Electron solvation and localization at interfaces

NASA Astrophysics Data System (ADS)

Harris, Charles B.; Szymanski, Paul; Garrett-Roe, Sean; Miller, Andre D.; Gaffney, Kelly J.; Liu, Simon H.; Bezel, Ilya

2003-12-01

Two-photon photoemission of thiolate/Ag(111), nitrile/Ag(111), and alcohol/Ag(111) interfaces elucidates electron solvation and localization in two dimensions. For low coverages of thiolates on Ag(111), the occupied (HOMO) and unoccupied (LUMO) electronic states of the sulfer-silver bond are localized due to the lattice gas structure of the adsorbate. As the coverage saturates and the adsorbate-adsorbate nearest neighbor distance decreases, the HOMO and LUMO delocalize across many adsorbate molecules. Alcohol- and nitrile-covered Ag(111) surfaces solvate excess image potential state (IPS) electrons. In the case of alcohol-covered surfaces, this solvation is due to a shift in the local workfunction of the surface. For two-monolayer coverages of nitriles/Ag(111), localization accompanies solvation of the IPS. The size of the localized electron can be estimated by Fourier transformation of the wavefunction from momentum- to position-space. The IPS electron localizes to 15 +/- 4 angstroms full-width at half maximum in the plane of the surface, i.e., to a single lattice site.

Kinetics of surfactant-mediated epitaxy of III-V semiconductors

NASA Astrophysics Data System (ADS)

Grandjean, N.; Massies, J.

1996-05-01

Surfactant-mediated epitaxy (SME) of III-V semiconductors is studied in the case of the GaAs(001) growth using Te as surfactant. To account for the strong surface segregation of Te, a phenomenological exchange mechanism is used. This process explains the reduction of the surface diffusion length evidenced by scanning tunneling microscopy (STM). However, this kinetics effect is observed only for restricted growth conditions: the As surface coverage should be sufficient to allow the exchange process. STM results as well as Monte Carlo simulations clearly show that the group-V element surface coverage plays a key role in the kinetics of SME of III-V semiconductors.

Tuning surface grafting density of CeO2 nanocrystals with near- and supercritical solvent characteristics.

PubMed

Giroire, B; Slostowski, C; Marre, S; Aymonier, C; Aida, T; Hojo, D; Aoki, N; Takami, S; Adschiri, T

2016-01-21

In this work, the solvent effect on the synthesis of CeO2 nanocrystals synthesized in near- and supercritical alcohols is discussed. The materials prepared displayed a unique morphology of small nanocrystals (<10 nm) aggregated into larger nanospheres (∼100-200 nm). In such syntheses, alcohol molecules directly interact with the nanocrystal surface through alkoxide and carboxylate bondings. The grafting density was quantified from the weight loss measured using thermogravimetric analysis. A direct correlation between the grafting density and the alcohol chain length can be established. It was demonstrated that the shorter the alcohol chain length (i.e. methanol), the higher the surface coverage is. This trend is independent of the synthesis mode (batch or continuous). Additionally, an influence of the grafting density on the resulting nanocrystal size was established. It is suggested that the surface coverage has a high influence on the early stages of the nucleation and growth. Indeed, when high surface coverages are reached, all surface active sites are blocked, limiting the growth step and therefore leading to smaller particles. This effect was noticed with the materials prepared in the continuous mode where shorter reaction time was performed.

Surface speciation of phosphate on goethite as seen by InfraRed Surface Titrations (IRST)

NASA Astrophysics Data System (ADS)

Arroyave, Jeison Manuel; Puccia, Virginia; Zanini, Graciela P.; Avena, Marcelo J.

2018-06-01

Phosphate adsorption at the metal oxide-water interface has been intensely studied, and the system phosphate-goethite in aqueous media is normally used as a model system with abundant information regarding adsorption-desorption under very different conditions. In spite of this, there is still discussion on whether the main inner-sphere surface complexes that phosphate forms on goethite are monodentate or bidentate. A new spectroscopic technique, InfraRed Surface Titration (IRST), is presented here and used to systematically explore the surface speciation of phosphate on goethite in the pH range 4.5-9.5 at different surface coverages. IRST enabled to construct distribution curves of surface species and distribution curves of dissolved phosphate species. In combination with the CD-MUSIC surface complexation model it was possible to conclude that surface complexes are monodentate. Very accurate distribution curves were obtained, showing a crossing point at pH 5.5 at a surface coverage of 2.0 μmol m-2, with a mononuclear monoprotonated species predominating at pH > 5.5 and a mononuclear diprotonated species prevailing at pH < 5.5. On the contrary, at the low surface coverage of 0.7 μmol m-2 there is no crossing point, with the mononuclear monoprotonated species prevailing at all pH. IRST can become a powerful technique to investigate structure, properties and reactions of any IR-active surface complex at the solid-water interface.

DMLC tracking and gating can improve dose coverage for prostate VMAT

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

Colvill, E.; Northern Sydney Cancer Centre, Royal North Shore Hospital, Sydney, NSW 2065; School of Physics, University of Sydney, NSW 2006

2014-09-15

Purpose: To assess and compare the dosimetric impact of dynamic multileaf collimator (DMLC) tracking and gating as motion correction strategies to account for intrafraction motion during conventionally fractionated prostate radiotherapy. Methods: A dose reconstruction method was used to retrospectively assess the dose distributions delivered without motion correction during volumetric modulated arc therapy fractions for 20 fractions of five prostate cancer patients who received conventionally fractionated radiotherapy. These delivered dose distributions were compared with the dose distributions which would have been delivered had DMLC tracking or gating motion correction strategies been implemented. The delivered dose distributions were constructed by incorporating themore » observed prostate motion with the patient's original treatment plan to simulate the treatment delivery. The DMLC tracking dose distributions were constructed using the same dose reconstruction method with the addition of MLC positions from Linac log files obtained during DMLC tracking simulations with the observed prostate motions input to the DMLC tracking software. The gating dose distributions were constructed by altering the prostate motion to simulate the application of a gating threshold of 3 mm for 5 s. Results: The delivered dose distributions showed that dosimetric effects of intrafraction prostate motion could be substantial for some fractions, with an estimated dose decrease of more than 19% and 34% from the planned CTVD{sub 99%} and PTV D{sub 95%} values, respectively, for one fraction. Evaluation of dose distributions for DMLC tracking and gating deliveries showed that both interventions were effective in improving the CTV D{sub 99%} for all of the selected fractions to within 4% of planned value for all fractions. For the delivered dose distributions the difference in rectum V{sub 65%} for the individual fractions from planned ranged from −44% to 101% and for the bladder V{sub 65%} the range was −61% to 26% from planned. The application of tracking decreased the maximum rectum and bladder V{sub 65%} difference to 6% and 4%, respectively. Conclusions: For the first time, the dosimetric impact of DMLC tracking and gating to account for intrafraction motion during prostate radiotherapy has been assessed and compared with no motion correction. Without motion correction intrafraction prostate motion can result in a significant decrease in target dose coverage for a small number of individual fractions. This is unlikely to effect the overall treatment for most patients undergoing conventionally fractionated treatments. Both DMLC tracking and gating demonstrate dose distributions for all assessed fractions that are robust to intrafraction motion.« less

SU-E-T-132: Dosimetric Impact of Positioning Errors in Hypo-Fractionated Cranial Radiation Therapy Using Frameless Stereotactic BrainLAB System

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

Keeling, V; Jin, H; Ali, I

2014-06-01

Purpose: To determine dosimetric impact of positioning errors in the stereotactic hypo-fractionated treatment of intracranial lesions using 3Dtransaltional and 3D-rotational corrections (6D) frameless BrainLAB ExacTrac X-Ray system. Methods: 20 cranial lesions, treated in 3 or 5 fractions, were selected. An infrared (IR) optical positioning system was employed for initial patient setup followed by stereoscopic kV X-ray radiographs for position verification. 6D-translational and rotational shifts were determined to correct patient position. If these shifts were above tolerance (0.7 mm translational and 1° rotational), corrections were applied and another set of X-rays was taken to verify patient position. Dosimetric impact (D95, Dmin,more » Dmax, and Dmean of planning target volume (PTV) compared to original plans) of positioning errors for initial IR setup (XC: Xray Correction) and post-correction (XV: X-ray Verification) was determined in a treatment planning system using a method proposed by Yue et al. (Med. Phys. 33, 21-31 (2006)) with 3D-translational errors only and 6D-translational and rotational errors. Results: Absolute mean translational errors (±standard deviation) for total 92 fractions (XC/XV) were 0.79±0.88/0.19±0.15 mm (lateral), 1.66±1.71/0.18 ±0.16 mm (longitudinal), 1.95±1.18/0.15±0.14 mm (vertical) and rotational errors were 0.61±0.47/0.17±0.15° (pitch), 0.55±0.49/0.16±0.24° (roll), and 0.68±0.73/0.16±0.15° (yaw). The average changes (loss of coverage) in D95, Dmin, Dmax, and Dmean were 4.5±7.3/0.1±0.2%, 17.8±22.5/1.1±2.5%, 0.4±1.4/0.1±0.3%, and 0.9±1.7/0.0±0.1% using 6Dshifts and 3.1±5.5/0.0±0.1%, 14.2±20.3/0.8±1.7%, 0.0±1.2/0.1±0.3%, and 0.7±1.4/0.0±0.1% using 3D-translational shifts only. The setup corrections (XC-XV) improved the PTV coverage by 4.4±7.3% (D95) and 16.7±23.5% (Dmin) using 6D adjustment. Strong correlations were observed between translation errors and deviations in dose coverage for XC. Conclusion: The initial BrainLAB IR system based on rigidity of the mask-frame setup is not sufficient for accurate stereotactic positioning; however, with X-ray imageguidance sub-millimeter accuracy is achieved with negligible deviations in dose coverage. The angular corrections (mean angle summation=1.84°) are important and cause considerable deviations in dose coverage.« less

Drag Coefficient and Foam in Hurricane Conditions.

NASA Astrophysics Data System (ADS)

Golbraikh, E.; Shtemler, Y.

2016-12-01

he present study is motivated by recent findings of saturation and even decrease in the drag coefficient (capping) in hurricane conditions, which is accompanied by the production of a foam layer on the ocean surface. As it is difficult to expect at present a comprehensive numerical modeling of the drag coefficient saturation that is followed by wave breaking and foam production, there is no complete confidence and understanding of the saturation phenomenon. Our semi-empirical model is proposed for the estimation of the foam impact on the variation of the effective drag coefficient, Cd , with the reference wind speed U10 in stormy and hurricane conditions. The proposed model treats the efficient air-sea aerodynamic roughness length as a sum of two weighted aerodynamic roughness lengths for the foam-free and foam-covered conditions. On the available optical and radiometric measurements of the fractional foam coverage,αf, combined with direct wind speed measurements in hurricane conditions, which provide the minimum of the effective drag coefficient, Cd for the sea covered with foam. The present model yields Cd10 versus U10 in fair agreement with that evaluated from both open-ocean and laboratory measurements of the vertical variation of mean wind speed in the range of U10 from low to hurricane speeds. The present approach opens opportunities for drag coefficient modeling in hurricane conditions and hurricane intensity estimation by the foam-coverage value using optical and radiometric measurements.

Hydrogen Sorption Kinetics on Bare and Platinum-Modified Palladium Nanofilms, Grown by Electrochemical Atomic Layer Deposition (E-ALD)

DOE PAGES

Jagannathan, Kaushik; Benson, David M.; Robinson, David B.; ...

2016-01-01

Nanofilms of Pd were grown using an electrochemical form of atomic layer deposition (E-ALD) on 100 nm evaporated Au films on glass. Multiple cycles of surface-limited redox replacement (SLRR) were used to grow deposits. Each SLRR involved the underpotential deposition (UPD) of a Cu atomic layer, followed by open circuit replacement via redox exchange with tetrachloropalladate, forming a Pd atomic layer: one E-ALD deposition cycle. That cycle was repeated in order to grow deposits of a desired thickness. 5 cycles of Pd deposition were performed on the Au on glass substrates, resulting in the formation of 2.5 monolayers of Pd.more » Those Pd films were then modified with varying coverages of Pt, also formed using SLRR. The amount of Pt was controlled by changing the potential for Cu UPD, and by increasing the number of Pt deposition cycles. Hydrogen absorption was studied using coulometry and cyclic voltammetry in 0.1 M H 2SO 4 as a function of Pt coverage. The presence of even a small fraction of a Pt monolayer dramatically increased the rate of hydrogen desorption. However, this did not reduce the films’ hydrogen storage capacity. The increase in desorption rate in the presence of Pt was over an order of magnitude.« less

Protective Mechanisms of S. lycopersicum Aqueous Fraction (Nucleosides and Flavonoids) on Platelet Activation and Thrombus Formation: In Vitro, Ex Vivo and In Vivo Studies.

PubMed

Fuentes, Eduardo; Pereira, Jaime; Alarcón, Marcelo; Valenzuela, Claudio; Pérez, Pablo; Astudillo, Luis; Palomo, Iván

2013-01-01

The purpose of this research was to investigate mechanisms of antiplatelet action of bioactive principle from S. lycopersicum. Aqueous fraction had a high content of nucleosides (adenosine, guanosine, and adenosine 5'-monophosphate) by HPLC analysis. Also aqueous fraction presented flavonoids content. Aqueous fraction inhibited platelet activation by 15 ± 6% (P < 0.05). Fully spread of human platelets on collagen in the presence of aqueous fraction was inhibited from 15 ± 1 to 9 ± 1  μ m(2) (P < 0.001). After incubation of whole blood with aqueous fraction, the platelet coverage was inhibited by 55 ± 12% (P < 0.001). Platelet ATP secretion and aggregation were significantly inhibited by the aqueous fraction. At the same concentrations that aqueous fraction inhibits platelet aggregation, levels of sCD40L significantly decreased and the intraplatelet cAMP levels increased. In addition, SQ22536, an adenylate cyclase inhibitor, attenuated the effect of aqueous fraction toward ADP-induced platelet aggregation and intraplatelet level of cAMP. Platelet aggregation ex vivo (human study) and thrombosis formation in vivo (murine model) were inhibited by aqueous fraction. Finally, aqueous fraction may be used as a functional ingredient adding antiplatelet activities (nucleosides and flavonoids) to processed foods.

Protective Mechanisms of S. lycopersicum Aqueous Fraction (Nucleosides and Flavonoids) on Platelet Activation and Thrombus Formation: In Vitro, Ex Vivo and In Vivo Studies

PubMed Central

Fuentes, Eduardo; Pereira, Jaime; Alarcón, Marcelo; Valenzuela, Claudio; Pérez, Pablo; Astudillo, Luis; Palomo, Iván

2013-01-01

The purpose of this research was to investigate mechanisms of antiplatelet action of bioactive principle from S. lycopersicum. Aqueous fraction had a high content of nucleosides (adenosine, guanosine, and adenosine 5′-monophosphate) by HPLC analysis. Also aqueous fraction presented flavonoids content. Aqueous fraction inhibited platelet activation by 15 ± 6% (P < 0.05). Fully spread of human platelets on collagen in the presence of aqueous fraction was inhibited from 15 ± 1 to 9 ± 1 μm2 (P < 0.001). After incubation of whole blood with aqueous fraction, the platelet coverage was inhibited by 55 ± 12% (P < 0.001). Platelet ATP secretion and aggregation were significantly inhibited by the aqueous fraction. At the same concentrations that aqueous fraction inhibits platelet aggregation, levels of sCD40L significantly decreased and the intraplatelet cAMP levels increased. In addition, SQ22536, an adenylate cyclase inhibitor, attenuated the effect of aqueous fraction toward ADP-induced platelet aggregation and intraplatelet level of cAMP. Platelet aggregation ex vivo (human study) and thrombosis formation in vivo (murine model) were inhibited by aqueous fraction. Finally, aqueous fraction may be used as a functional ingredient adding antiplatelet activities (nucleosides and flavonoids) to processed foods. PMID:24159349

Marangoni Effects of a Drop in an Extensional Flow: The Role of Surfactant Physical Chemistry

NASA Technical Reports Server (NTRS)

Stebe, Kathleen J.; Balasubramaniam, R. (Technical Monitor)

2002-01-01

While the changes in stresses caused by surfactant adsorption on non-deforming interfaces have been fairly well established, prior to this work, there were few studies addressing how surfactants alter stresses on strongly deforming interfaces. We chose the model problem of a drop in a uniaxial extensional flow to study these stress conditions To model surfactant effects at fluid interfaces, a proper description of the dependence of the surface tension on surface concentration, the surface equation of state, is required. We have adopted a surface equation of state that accounts for the maximum coverage limit; that is, because surfactants have a finite cross sectional area, there is an upper bound to the amount of surfactant that can adsorb in a monolayer. The surface tension reduces strongly only when this maximum coverage is approached. Since the Marangoni stresses go as the derivative of the surface equation of state times the surface concentration gradient, the non-linear equation of state determines both the effect of surfactants in the normal stress jump, (which is balanced by the product of the mean curvature of the interface times the surface tension), and the tangential stress jump, which is balanced by Marangoni stresses. First, the effects of surface coverage and intermolecular interactions among surfactants which drive aggregation of surfactants in the interface were studied. (see Pawar and Stebe, Physics of Fluids).

Simulation studies on structural and thermal properties of alkane thiol capped gold nanoparticles.

PubMed

Devi, J Meena

2017-06-01

The structural and thermal properties of the passivated gold nanoparticles were explored employing molecular dynamics simulation for the different surface coverage densities of the self-assembled monolayer (SAM) of alkane thiol. The structural properties of the monolayer protected gold nanoparticles such us overall shape, organization and conformation of the capping alkane thiol chains were found to be influenced by the capping density. The structural order of the thiol capped gold nanoparticles enhances with the increase in the surface coverage density. The specific heat capacity of the alkane thiol capped gold nanoparticles was found to increase linearly with the thiol coverage density. This may be attributed to the enhancement in the lattice vibrational energy. The present simulation results suggest, that the structural and thermal properties of the alkane thiol capped gold nanoparticles may be modified by the suitable selection of the SAM coverage density. Copyright © 2017 Elsevier Inc. All rights reserved.

Shuttle imaging radar views the Earth from Challenger: The SIR-B experiment

NASA Technical Reports Server (NTRS)

Ford, J. P.; Cimino, J. B.; Holt, B.; Ruzek, M. R.

1986-01-01

In October 1984, SIR-B obtained digital image data of about 6.5 million km2 of the Earth's surface. The coverage is mostly of selected experimental test sites located between latitudes 60 deg north and 60 deg south. Programmed adjustments made to the look angle of the steerable radar antenna and to the flight attitude of the shuttle during the mission permitted collection of multiple-incidence-angle coverage or extended mapping coverage as required for the experiments. The SIR-B images included here are representative of the coverage obtained for scientific studies in geology, cartography, hydrology, vegetation cover, and oceanography. The relations between radar backscatter and incidence angle for discriminating various types of surfaces, and the use of multiple-incidence-angle SIR-B images for stereo measurement and viewing, are illustrated with examples. Interpretation of the images is facilitated by corresponding images or photographs obtained by different sensors or by sketch maps or diagrams.

Effect of Coadsorbed Water on the Photodecomposition of Acetone on TiO2(110)

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

Henderson, Michael A.

2008-06-10

The influence of coadsorbed water on the photodecomposition of acetone on TiO2 was examined using temperature programmed desorption (TPD) and the rutile TiO2(110) surface as a model photocatalyst. Of the two major influences ascribed to water in the heterogeneous photocatalysis literature (promotion via OH radical supply and inhibition due to site blocking), only the negative influence of water was observed. As long as the total water and acetone coverage was maintained well below the first layer saturation coverage (‘1 ML’), little inhibition of acetone photodecomposition was observed. However, as the total water+acetone coverage exceeded 1 ML, acetone was preferentially displacedmore » from the first layer to physisorbed states by water and the extent of acetone photodecomposition attenuated. The displacement originated from water compressing acetone into high coverage regions where increased acetone-acetone repulsions caused displacement from the first layer. The immediate product of acetone photodecomposition was adsorbed acetate, which occupies twice as many surface sites per molecule as compared to acetone. Since the acetate intermediate was more stable on the TiO2(110) surface than either water or acetone (as gauged by TPD) and since its photodecomposition rate was less than that of acetone, additional surface sites were not opened up during acetone photodecomposition for previously displaced acetone molecules to re-enter the first layer. Results in this study suggest that increased molecular-level repulsions between organic molecules brought about by increased water coverage are as influential in the inhibiting effect of water on photooxidation rates as are water-organic repulsions.« less

Dynamic simulation of motion effects in IMAT lung SBRT.

PubMed

Zou, Wei; Yin, Lingshu; Shen, Jiajian; Corradetti, Michael N; Kirk, Maura; Munbodh, Reshma; Fang, Penny; Jabbour, Salma K; Simone, Charles B; Yue, Ning J; Rengan, Ramesh; Teo, Boon-Keng Kevin

2014-11-01

Intensity modulated arc therapy (IMAT) has been widely adopted for Stereotactic Body Radiotherapy (SBRT) for lung cancer. While treatment dose is optimized and calculated on a static Computed Tomography (CT) image, the effect of the interplay between the target and linac multi-leaf collimator (MLC) motion is not well described and may result in deviations between delivered and planned dose. In this study, we investigated the dosimetric consequences of the inter-play effect on target and organs at risk (OAR) by simulating dynamic dose delivery using dynamic CT datasets. Fifteen stage I non-small cell lung cancer (NSCLC) patients with greater than 10 mm tumor motion treated with SBRT in 4 fractions to a dose of 50 Gy were retrospectively analyzed for this study. Each IMAT plan was initially optimized using two arcs. Simulated dynamic delivery was performed by associating the MLC leaf position, gantry angle and delivered beam monitor units (MUs) for each control point with different respiratory phases of the 4D-CT using machine delivery log files containing time stamps of the control points. Dose maps associated with each phase of the 4D-CT dose were calculated in the treatment planning system and accumulated using deformable image registration onto the exhale phase of the 4D-CT. The original IMAT plans were recalculated on the exhale phase of the CT for comparison with the dynamic simulation. The dose coverage of the PTV showed negligible variation between the static and dynamic simulation. There was less than 1.5% difference in PTV V95% and V90%. The average inter-fraction and cumulative dosimetric effects among all the patients were less than 0.5% for PTV V95% and V90% coverage and 0.8 Gy for the OARs. However, in patients where target is close to the organs, large variations were observed on great vessels and bronchus for as much as 4.9 Gy and 7.8 Gy. Limited variation in target dose coverage and OAR constraints were seen for each SBRT fraction as well as over all four fractions. Large dose variations were observed on critical organs in patients where these organs were closer to the target.

Molecular layer deposition of APTES on silicon nanowire biosensors: Surface characterization, stability and pH response

NASA Astrophysics Data System (ADS)

Liang, Yuchen; Huang, Jie; Zang, Pengyuan; Kim, Jiyoung; Hu, Walter

2014-12-01

We report the use of molecular layer deposition (MLD) for depositing 3-aminopropyltriethoxysilane (APTES) on a silicon dioxide surface. The APTES monolayer was characterized using spectroscopic ellipsometry, contact angle goniometry, and atomic force microscopy. Effects of reaction time of repeating pulses and simultaneous feeding of water vapor with APTES were tested. The results indicate that the synergistic effects of water vapor and reaction time are significant for the formation of a stable monolayer. Additionally, increasing the number of repeating pulses improved the APTES surface coverage but led to saturation after 10 pulses. In comparing MLD with solution-phase deposition, the APTES surface coverage and the surface quality were nearly equivalent. The hydrolytic stability of the resulting films was also studied. The results confirmed that the hydrolysis process was necessary for MLD to obtain stable surface chemistry. Furthermore, we compared the pH sensing results of Si nanowire field effect transistors (Si NWFETs) modified by both the MLD and solution methods. The highly repeatable pH sensing results reflected the stability of APTES monolayers. The results also showed an improved pH response of the sensor prepared by MLD compared to the one prepared by the solution treatment, which indicated higher surface coverage of APTES.

Application of low energy ion blocking for adsorption site determination of Na Atoms on a Cu(111) surface

NASA Astrophysics Data System (ADS)

Zhang, R.; Makarenko, B.; Bahrim, B.; Rabalais, J. W.

2010-07-01

Ion blocking in the low keV energy range is demonstrated to be a sensitive method for probing surface adsorption sites by means of the technique of time-of-flight scattering and recoiling spectroscopy (TOF-SARS). Adsorbed atoms can block the nearly isotropic backscattering of primary ions from surface atoms in the outmost layers of a crystal. The relative adsorption site position can be derived unambiguously by simple geometrical constructs between the adsorbed atom site and the surface atom sites. Classical ion trajectory simulations using the scattering and recoiling imaging code (SARIC) and molecular dynamics (MD) simulations provide the detailed ion trajectories. Herein we present a quantitative analysis of the blocking effects produced by sub-monolayer Na adsorbed on a Cu(111) surface at room temperature. The results show that the Na adsorption site preferences are different at different Na coverages. At a coverage θ = 0.25 monolayer, Na atoms preferentially populate the fcc threefold surface sites with a height of 2.7 ± 0.1 Å above the 1st layer Cu atoms. At a lower coverage of θ = 0.10 monolayer, there is no adsorption site preference for the Na atoms on the Cu(111) surface.

Solution processed deposition of electron transport layers on perovskite crystal surface-A modeling based study

NASA Astrophysics Data System (ADS)

Mortuza, S. M.; Taufique, M. F. N.; Banerjee, Soumik

2017-02-01

The power conversion efficiency (PCE) of planar perovskite solar cells (PSCs) has reached up to ∼20%. However, structural and chemicals defects that lead to hysteresis in the perovskite based thin film pose challenges. Recent work has shown that thin films of [6,6]-phenyl-C61-butyric acid methyl ester (PCBM) deposited on the photo absorption layer, using solution processing techniques, minimize surface pin holes and defects thereby increasing the PCE. We developed and employed a multiscale model based on molecular dynamics (MD) and kinetic Monte Carlo (kMC) to establish a relationship between deposition rate and surface coverage on perovskite surface. The MD simulations of PCBMs dispersed in chlorobenzene, sandwiched between (110) perovskite substrates, indicate that PCBMs are deposited through anchoring of the oxygen atom of carbonyl group to the exposed lead (Pb) atom of (110) perovskite surface. Based on rates of distinct deposition events calculated from MD, kMC simulations were run to determine surface coverage at much larger time and length scales than accessible by MD alone. Based on the model, a generic relationship is established between deposition rate of PCBMs and surface coverage on perovskite crystal. The study also provides detailed insights into the morphology of the deposited film.

Surface features of soil particles of three types of soils under different land use strategies

NASA Astrophysics Data System (ADS)

Matveeva, Nataliy; Kotelnikova, Anna; Rogova, Olga; Proskurnin, Mikhail

2017-04-01

Nowadays, there is a clear need in a deep investigation of molecular composition of soils and of its influence on surface characteristics of soil particles. The aim of this study is to evaluate the composition and properties of physical fractions in different soil types in determining functional specificity of soil solid-phase surface. The experiments were carried out with three different types of Russian soils—Sod-Podzolic, Chestnut, and Chernozem soils—under various treatments (fallow, different doses of mineral fertilizers and their aftereffects). The samples were separated into three fractions: silt (SF) with a particle size of <2 μm, light fraction (LF) with a density of <2 g/cm3, and residual fraction (RF) with a size >2 μm and the density >2 g/cm3. We measured specific surface area, surface hydrophobicity (contact angle, CA), ζ-potential, and the point of zero charge (PZC). For Chernozem and Chestnut soils and their fractions of we observed an increase in hydrophobicity for SF and RF under fertilizer treatment. At the sites not treated with fertilizers and aftereffect sites, the hydrophobicity of fractions was lower compared to the sites under treatment. The CA of the original soils and fractions were different: in 35% of cases CA was higher for SF and RF by 12-16%. The rest of samples demonstrated CA of all three physical fractions lower than CA of the original soil. The variability of the mean CA indicates considerable differences in ζ-potential and PZC between different types of soils and soil fractions. The results of potentiometric titration of PZC for Sod-Podzolic soil showed that all values are in acidic range, which suggests predominance of acidic functional groups at the surface of soil particles. Specific surface area determines soil sorption processes, bioavailability of nutrients, water etc. Here, specific surface area of Sod-Podzolic soil was low and SF-dependent. We calculated specific surface charge from obtained data on specific surface area and PZC. The results suggested considerable differences between sorption features of both soils and fractions under different land use strategies.

SU-E-T-309: Dosimetric Comparison of Simultaneous Integrated Boost Treatment Plan Between Intensity Modulated Radiotherapies (IMRTs), Dual Arc Volumetric Modulated Arc Therapy (DA-VMAT) and Single Arc Volumetric Modulated Arc Therapy (SA-VMAT) for Nasopharyngeal Carcinoma (NPC)

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

Sivakumar, R; Janardhan, N; Bhavani, P

Purpose: To compare the plan quality and performance of Simultaneous Integrated Boost (SIB) Treatment plan between Seven field (7F) and Nine field(9F) Intensity Modulated Radiotherapies and Single Arc (SA) and Dual Arc (DA) Volumetric Modulated Arc Therapy( VMAT). Methods: Retrospective planning study of 16 patients treated in Elekta Synergy Platform (mlci2) by 9F-IMRT were replanned with 7F-IMRT, Single Arc VMAT and Dual Arc VMAT using CMS, Monaco Treatment Planning System (TPS) with Monte Carlo simulation. Target delineation done as per Radiation Therapy Oncology Protocols (RTOG 0225&0615). Dose Prescribed as 70Gy to Planning Target Volumes (PTV70) and 61Gy to PTV61 inmore » 33 fraction as a SIB technique. Conformity Index(CI), Homogeneity Index(HI) were used as analysis parameter for Target Volumes as well as Mean dose and Max dose for Organ at Risk(OAR,s).Treatment Delivery Time(min), Monitor unit per fraction (MU/fraction), Patient specific quality assurance were also analysed. Results: A Poor dose coverage and Conformity index (CI) was observed in PTV70 by 7F-IMRT among other techniques. SA-VMAT achieved poor dose coverage in PTV61. No statistical significance difference observed in OAR,s except Spinal cord (P= 0.03) and Right optic nerve (P=0.03). DA-VMAT achieved superior target coverage, higher CI (P =0.02) and Better HI (P=0.03) for PTV70 other techniques (7F-IMRT/9F-IMRT/SA-VMAT). A better dose spare for Parotid glands and spinal cord were seen in DA-VMAT. The average treatment delivery time were 5.82mins, 6.72mins, 3.24mins, 4.3mins for 7F-IMRT, 9F-IMRT, SA-VMAT and DA-VMAT respectively. Significance difference Observed in MU/fr (P <0.001) and Patient quality assurance pass rate were >95% (Gamma analysis (Γ3mm, 3%). Conclusion: DA-VAMT showed better target dose coverage and achieved better or equal performance in sparing OARs among other techniques. SA-VMAT offered least Treatment Time than other techniques but achieved poor target coverage. DA-VMAT offered shorter delivery time than 7F-IMRT and 9F-IMRT without compromising the plan quality.« less

Estimation of Mars radar backscatter from measured surface rock populations

USGS Publications Warehouse

Baron, J.E.; Simpson, R.A.; Tyler, G.L.; Moore, H.J.; Harmon, J.K.

1998-01-01

Reanalysis of rock population data at the Mars Viking Lander sites has yielded updated values of rock fractional surface coverage (about 0.16 at both sites, including outcrops) and new estimates of rock burial depths and axial ratios. These data are combined with a finite difference time domain (FDTD) numerical scattering model to estimate diffuse backscatter due to rocks at both the Lander l (VL1) and Lander 2 (VL2) sites. We consider single scattering from both surface and subsurface objects of various shapes, ranging from an ideal sphere to an accurate digitized model of a terrestrial rock. The FDTD cross-section calculations explicitly account for the size, shape, composition, orientation, and burial state of the scattering object, the incident wave angle and polarization, and the composition of the surface. We calculate depolarized specific cross sections at 12.6 cm wavelength due to lossless rock-like scatterers of about 0.014 at VL1 and 0.023 at VL2, which are comparable to the measured ranges of 0.019-0.032 and 0.012-0.018, respectively. We also discuss the variation of the diffuse cross section as the local angle of incidence, ??i, changes. Numerical calculations for a limited set of rock shapes indicate a marked difference between the angular backscattering behavior of wavelength-scale surface and subsurface rocks: while subsurface rocks scatter approximately as a cosine power law, surface rocks display a complex variation, often with peak backscattering at high incidence angles (??i = 70??-75??). Copyright 1998 by the American Geophysical Union.

Molecular Engineering of Surfaces for Sensing and Detection

DTIC Science & Technology

2005-08-01

solution was flowed in both chambers at a concentration of 0.05 mg/mL. Biotinylated single- stranded oligonucleotides ( bDNA ) were immobilized on the layer...correspondence between surface-bound bDNA and conjugate, a theoretical minimum coverage of 1.18 × 1012 molecules/cm2 of bDNA is necessary to...immobilize a monolayer of antibody. Above this bDNA coverage a monolayer of immobilized antibody should be observed. These theoretical values are

Vortex generating flow passage design for increased film-cooling effectiveness and surface coverage. [aircraft engine blade cooling

NASA Technical Reports Server (NTRS)

Papell, S. S.

1984-01-01

The fluid mechanics of the basic discrete hole film cooling process is described as an inclined jet in crossflow and a cusp shaped coolant flow channel contour that increases the efficiency of the film cooling process is hypothesized. The design concept requires the channel to generate a counter rotating vortex pair secondary flow within the jet stream by virture of flow passage geometry. The interaction of the vortex structures generated by both geometry and crossflow was examined in terms of film cooling effectiveness and surface coverage. Comparative data obtained with this vortex generating coolant passage showed up to factors of four increases in both effectiveness and surface coverage over that obtained with a standard round cross section flow passage. A streakline flow visualization technique was used to support the concept of the counter rotating vortex pair generating capability of the flow passage design.

Solvent effects on the adsorption and self-organization of Mn12 on Au(111).

PubMed

Pineider, Francesco; Mannini, Matteo; Sessoli, Roberta; Caneschi, Andrea; Barreca, Davide; Armelao, Lidia; Cornia, Andrea; Tondello, Eugenio; Gatteschi, Dante

2007-11-06

A sulfur-containing single molecule magnet, [Mn12O12(O2CC6H4SCH3)16(H2O)4], was assembled from solution on a Au(111) surface affording both submonolayer and monolayer coverages. The adsorbate morphology and the degree of coverage were inspected by scanning tunneling microscopy (STM), while X-ray photoelectron spectroscopy (XPS) allowed the determination of the chemical nature of the adsorbate on a qualitative and quantitative basis. The properties of the adsorbates were found to be strongly dependent on the solvent used to dissolve the magnetic complex. In particular, systems prepared from tetrahydrofuran solutions gave arrays of isolated and partially ordered clusters on the gold substrate, while samples prepared from dichloromethane exhibited a homogeneous monolayer coverage of the whole Au(111) surface. These findings are relevant to the optimization of magnetic addressing of single molecule magnets on surfaces.

Vortex generating flow passage design for increased film-cooling effectiveness and surface coverage

NASA Astrophysics Data System (ADS)

Papell, S. S.

The fluid mechanics of the basic discrete hole film cooling process is described as an inclined jet in crossflow and a cusp shaped coolant flow channel contour that increases the efficiency of the film cooling process is hypothesized. The design concept requires the channel to generate a counter rotating vortex pair secondary flow within the jet stream by virture of flow passage geometry. The interaction of the vortex structures generated by both geometry and crossflow was examined in terms of film cooling effectiveness and surface coverage. Comparative data obtained with this vortex generating coolant passage showed up to factors of four increases in both effectiveness and surface coverage over that obtained with a standard round cross section flow passage. A streakline flow visualization technique was used to support the concept of the counter rotating vortex pair generating capability of the flow passage design.

Uptake of HNO3 on hexane and aviation kerosene soots.

PubMed

Talukdar, Ranajit K; Loukhovitskaya, Ekaterina E; Popovicheva, Olga B; Ravishankara, A R

2006-08-10

The uptake of HNO(3) on aviation kerosene (TC-1) soot was measured as a function of temperature (253-295 K) and the partial pressure of HNO(3), and the uptake of HNO(3) on hexane soot was studied at 295 K and over a limited partial pressure of HNO(3). The HNO(3) uptake was mostly reversible and did not release measurable amounts of gas-phase products such as HONO, NO(3), NO(2) or N(2)O(5). The heat of adsorption of HNO(3) on soot was dependent on the surface coverage. The isosteric heats of adsorption, Delta(0)H(isosteric), were determined as a function of coverage. Delta(0)H(isosteric) values were in the range -16 to -13 kcal mol(-1). The heats of adsorption decrease with increasing coverage. The adsorption data were fit to Freundlich and to Langmuir-Freundlich isotherms. The heterogeneity parameter values were close to 0.5, which suggested that a HNO(3) molecule can occupy two sites on the surface with or without being dissociated and that the soot surface could be nonuniform. Surface FTIR studies on the interaction of soot with HNO(3) did not reveal formation of any minor product such as organic nitrate or nitro compound on the soot surface. Using our measured coverage, we calculate that the partitioning of gas-phase nitric acid to black carbon aerosol is not a significant loss process of HNO(3) in the atmosphere.

Deep Space Network and Lunar Network Communication Coverage of the Moon

NASA Technical Reports Server (NTRS)

Lee, Charles H.; Cheung, Kar-Ming

2006-01-01

In this article, we describe the communication coverage analysis for the lunar network and the Earth ground stations. The first part of this article focuses on the direct communication coverage of the Moon from the Earth's ground stations. In particular, we assess the coverage performance of the Moon based on the existing Deep Space Network (DSN) antennas and the complimentary coverage of other potential stations at Hartebeesthoek, South Africa and at Santiago, Chile. We also address the coverage sensitivity based on different DSN antenna scenarios and their capability to provide single and redundant coverage of the Moon. The second part of this article focuses on the framework of the constrained optimization scheme to seek a stable constellation six relay satellites in two planes that not only can provide continuous communication coverage to any users on the Moon surface, but can also deliver data throughput in a highly efficient manner.

Incorporation of a Cumulus Fraction Scheme in the GRAPES_Meso and Evaluation of Its Performance

NASA Astrophysics Data System (ADS)

Zheng, X.

2016-12-01

Accurate simulation of cloud cover fraction is a key and difficult issue in numerical modeling studies. Preliminary evaluations have indicated that cloud fraction is generally underestimated in GRAPES_Meso simulations, while the cloud fraction scheme (CFS) of ECMWF can provide more realistic results. Therefore, the ECMWF cumulus fraction scheme is introduced into GRAPES_Meso to replace the original CFS, and the model performance with the new CFS is evaluated based on simulated three-dimensional cloud fractions and surface temperature. Results indicate that the simulated cloud fractions increase and become more accurate with the new CFS; the simulation for vertical cloud structure has improved too; errors in surface temperature simulation have decreased. The above analysis and results suggest that the new CFS has a positive impact on cloud fraction and surface temperature simulation.

Structure and energetics of hydrogen-bonded networks of methanol on close packed transition metal surfaces

NASA Astrophysics Data System (ADS)

Murphy, Colin J.; Carrasco, Javier; Lawton, Timothy J.; Liriano, Melissa L.; Baber, Ashleigh E.; Lewis, Emily A.; Michaelides, Angelos; Sykes, E. Charles H.

2014-07-01

Methanol is a versatile chemical feedstock, fuel source, and energy storage material. Many reactions involving methanol are catalyzed by transition metal surfaces, on which hydrogen-bonded methanol overlayers form. As with water, the structure of these overlayers is expected to depend on a delicate balance of hydrogen bonding and adsorbate-substrate bonding. In contrast to water, however, relatively little is known about the structures methanol overlayers form and how these vary from one substrate to another. To address this issue, herein we analyze the hydrogen bonded networks that methanol forms as a function of coverage on three catalytically important surfaces, Au(111), Cu(111), and Pt(111), using a combination of scanning tunneling microscopy and density functional theory. We investigate the effect of intermolecular interactions, surface coverage, and adsorption energies on molecular assembly and compare the results to more widely studied water networks on the same surfaces. Two main factors are shown to direct the structure of methanol on the surfaces studied: the surface coverage and the competition between the methanol-methanol and methanol-surface interactions. Additionally, we report a new chiral form of buckled hexamer formed by surface bound methanol that maximizes the interactions between methanol monomers by sacrificing interactions with the surface. These results serve as a direct comparison of interaction strength, assembly, and chirality of methanol networks on Au(111), Cu(111), and Pt(111) which are catalytically relevant for methanol oxidation, steam reforming, and direct methanol fuel cells.

Use of high-dimensional spectral data to evaluate organic matter, reflectance relationships in soils

NASA Technical Reports Server (NTRS)

Henderson, T. L.; Baumgardner, M. F.; Coster, D. C.; Franzmeier, D. P.; Stott, D. E.

1990-01-01

Recent breakthroughs in remote sensing technology have led to the development of a spaceborne high spectral resolution imaging sensor, HIRIS, to be launched in the mid-1990s for observation of earth surface features. The effects of organic carbon content on soil reflectance over the spectral range of HIRIS, and to examine the contributions of humic and fulvic acid fractions to soil reflectance was evaluated. Organic matter from four Indiana agricultural soils was extracted, fractionated, and purified, and six individual components of each soil were isolated and prepared for spectral analysis. The four soils, ranging in organic carbon content from 0.99 percent, represented various combinations of genetic parameters such as parent material, age, drainage, and native vegetation. An experimental procedure was developed to measure reflectance of very small soil and organic component samples in the laboratory, simulating the spectral coverage and resolution of the HIRIS sensor. Reflectance in 210 narrow (10 nm) bands was measured using the CARY 17D spectrophotometer over the 400 to 2500 nm wavelength range. Reflectance data were analyzed statistically to determine the regions of the reflective spectrum which provided useful information about soil organic matter content and composition. Wavebands providing significant information about soil organic carbon content were located in all three major regions of the reflective spectrum: visible, near infrared, and middle infrared. The purified humic acid fractions of the four soils were separable in six bands in the 1600 to 2400 nm range, suggesting that longwave middle infrared reflectance may be useful as a non-destructive laboratory technique for humic acid characterization.

Cervical brachytherapy technique for locally advanced carcinoma of the cervix in a patient with septate uterus.

PubMed

Platta, Christopher S; Wallace, Charlie; Gondi, Vinai; Das, Rupak; Straub, Margaret; Al-Niaimi, Ahmed; Applegate, Glenn; Bradley, Kristin A

2014-03-01

To describe an approach to cervical brachytherapy in a patient with congenital septate uterus and locally advanced cervical carcinoma. The patient is a 34-year-old female with septate uterus presenting with pelvic pain. Workup demonstrated a stage IIB cervical adenocarcinoma with imaging evidence of an involved right external iliac lymph node. The patient received whole pelvic radiation, with concurrent weekly cisplatin (40 mg/m(2)), to a dose of 45 Gy in 25 fractions followed by a parametrial boost of 5.4 Gy and an additional nodal boost of 9 Gy. The patient was initiated on cervical brachytherapy following fraction 23 of pelvic radiation. To conform to her septated uterus, a Rotte-Y tandem was used. Additionally, 2 CT-compatible ovoids were placed in the vaginal apex to enhance dose distribution and coverage of the target volume. Each fraction of brachytherapy was performed with CT-based planning. A high-risk clinical target volume (HR-CTV) and normal structures were defined and constrained per American Brachytherapy Society (ABS) and Groupe Européen de Curiethérapie/European Society for Therapeutic Radiology and Oncology (GEC-ESTRO) guidelines. The brachytherapy dose was 27.5 Gy in 5 fractions of 5.5 Gy each, prescribed to the HR-CTV. Herein, we report the first documented case of cervical brachytherapy in a patient with septate uterus and locally advanced cervical carcinoma. Using CT-guided planning, in conjunction with the ABS and GEC-ESTRO guidelines, the patient was effectively treated with adapted cervical brachytherapy, meeting criteria for HR-CTV coverage and normal tissue tolerances.

Exploring the relationship between population density and maternal health coverage

PubMed Central

2012-01-01

Background Delivering health services to dense populations is more practical than to dispersed populations, other factors constant. This engenders the hypothesis that population density positively affects coverage rates of health services. This hypothesis has been tested indirectly for some services at a local level, but not at a national level. Methods We use cross-sectional data to conduct cross-country, OLS regressions at the national level to estimate the relationship between population density and maternal health coverage. We separately estimate the effect of two measures of density on three population-level coverage rates (6 tests in total). Our coverage indicators are the fraction of the maternal population completing four antenatal care visits and the utilization rates of both skilled birth attendants and in-facility delivery. The first density metric we use is the percentage of a population living in an urban area. The second metric, which we denote as a density score, is a relative ranking of countries by population density. The score’s calculation discounts a nation’s uninhabited territory under the assumption those areas are irrelevant to service delivery. Results We find significantly positive relationships between our maternal health indicators and density measures. On average, a one-unit increase in our density score is equivalent to a 0.2% increase in coverage rates. Conclusions Countries with dispersed populations face higher burdens to achieve multinational coverage targets such as the United Nations’ Millennial Development Goals. PMID:23170895

Analysis of Depth of Ablation,Thermal Damage, Wound Healing, and Wound Contraction With Erbium YAG Laser in a Yorkshire Pig Model.

PubMed

Alsaad, Salman M S; Ross, E Victor; Smith, Wiley J; DeRienzo, Damian P

2015-11-01

The erbium YAG laser is commonly used for skin resurfacing. It is known that varying the pulse duration can influence residual thermal damage and wound healing. Our study used a porcine model to evaluate a broad range of settings in a comparison of depth of ablation, depth of residual thermal damage (RTD), and wound contraction employing both a full coverage and fractional hand piece with an erbium YAG laser. The laser delivered an ablative pulse followed by a heating pulse of variable duration using either the full coverage or fractional hand piece. Pulse durations for specific coagulation depths were selected based on existing heat transfer models. The bilateral flanks of a single Yorkshire pig were irradiated. There were 14 treatment groups. 3 sites were treated per group for a total of 42 sites. Two of the 3 sites were for observational assessments and the 3rd site served as a reservoir for biopsies. Biopsy specimens were collected on days 0, 1, 3, 7, 14, and 28. Bleeding, erythema, wound healing, and wound contraction (in the fractional hand piece groups) were assessed. Wound healing is faster for fractional laser skin resurfacing compared with traditional contiguous resurfacing as demonstrated by textural changes and degree of erythema. The laser operator can be confident that the depth of ablation displayed on this system accurately reflects what is occurring in vivo for both confluent and fractional modes. Likewise, the measured degree of coagulation was consistent with panel display settings for the confluent mode. However, the degree of coagulation, as measured by the thickness of residual thermal damage, did not vary significantly between the fractional groups. In other words, the pulse duration of the second (heating) pulse did not impact the degree of coagulation in the fractional mode. There was a 2.3% wound contraction between some groups and a 6.5% wound contraction between other groups. A two way analysis of variance found a statistically significant difference in wound contraction based on ablation depth ( P = 0.012) but the degree of coagulation did not prove to be statistically significant for wound contraction (P = 0.66).

MISR Level 2 TOA/Cloud Classifier parameters (MIL2TCCL_V3)

NASA Technical Reports Server (NTRS)

Diner, David J. (Principal Investigator)

The TOA/Cloud Classifiers contain the Angular Signature Cloud Mask (ASCM), a scene classifier calculated using support vector machine technology (SVM) both of which are on a 1.1 km grid, and cloud fractions at 17.6 km resolution that are available in different height bins (low, middle, high) and are also calculated on an angle-by-angle basis. [Temporal_Coverage: Start_Date=2000-02-24; Stop_Date=] [Spatial_Coverage: Southernmost_Latitude=-90; Northernmost_Latitude=90; Westernmost_Longitude=-180; Easternmost_Longitude=180] [Data_Resolution: Latitude_Resolution=1.1 km; Longitude_Resolution=1.1 km; Temporal_Resolution=about 15 orbits/day].

CO adsorption on the “29” Cu xO/Cu(111) surface: An integrated DFT, STM, and TPD study

DOE PAGES

Hensley, Alyssa J. R.; Therrien, Andrew J.; Zhang, Renqin; ...

2016-10-04

The elucidation of an accurate atomistic model of surface structures is crucial for the design and understanding of effective catalysts, a process requiring a close collaboration between experimental observations and theoretical models. Any developed surface theoretical model must agree with experimental results for the surface when both clean and adsorbate covered. Here, we present a detailed study of the adsorption of CO on the “29” Cu xO/ Cu(111) surface, which is important in the understanding of ubiquitous Cubased catalysis. This study uses scanning tunneling microscopy, temperatureprogrammed desorption, and density functional theory to analyze CO adsorption on the “29” Cu xO/Cu(111)more » surface. From the experimental scanning tunneling microscopy images, CO was found to form six different ordered structures on the “29” Cu xO/Cu(111) surface depending on the surface CO coverage. By modeling the adsorption of CO on our atomistic model of the “29” Cu xO/Cu(111) surface at different coverages, we were able to match the experimentally observed CO ordered structures to specific combinations of sites on the “29” Cu xO/Cu(111) surface. Lastly, the high degree of agreement seen here between experiment and theory for the adsorption of CO on the “29” Cu xO/Cu(111) surface at various CO coverages provides further support that our atomistic model of the “29” Cu xO/Cu(111) surface is experimentally accurate.« less

Face specificity and the role of metal adatoms in molecular reorientation at surfaces

NASA Astrophysics Data System (ADS)

Perry, C. C.; Haq, S.; Frederick, B. G.; Richardson, N. V.

1998-07-01

Using reflection absorption infrared spectroscopy (RAIRS), the coverage-dependent reorientation of the benzoate species on the (110) and (111) faces of copper is compared and contrasted. Whereas on Cu(110) benzoate reorients from a flat-lying to an upright orientation with increasing coverage, on Cu(111), at all coverages, benzoate is aligned normal to the surface. The formation of periodic, flat-lying copper-benzoate structures has been attributed to the availability of metal adatoms, which differs dramatically between the (111) and (110) faces. We discuss the face specificity of molecular orientation by comparing calculated formation energies of adatom vacancies from ledges and kink sites on (100), (110) and (111) faces. Further support for this model is given by the evaporation of sodium, either by pre- or post-dosing, onto low-coverage benzoate/Cu(111), which induces benzoate to convert from a perpendicular to a parallel orientation. Likewise, coevaporation of Cu while dosing benzoic acid onto the Cu(111) surface also results in a majority of flat-lying benzoate species. Finally, for adsorption on the p(2×1)O/Cu(110) reconstruction, benzoate occurs only as the upright species, which is consistent with reducing the copper mobility and availability on the (110) face. We therefore suggest the possible role of metal adatoms as a new mechanism in controlling adsorbate orientation and therefore face specificity in surface reactions.

[Interaction of surface-active base with fraction of membrane-bound Williams's protons].

PubMed

Iaguzhinskiĭ, L S; Motovilov, K A; Volkov, E M; Eremeev, S A

2013-01-01

In the process of mitochondrial respiratory H(+)-pumps functioning, the fraction membrane-bound protons (R-protons), which have an excess of free energy is formed. According to R.J. Williams this fraction is included as energy source in the reaction of ATP synthesis. Previously, in our laboratory was found the formation of this fraction was found in the mitochondria and on the outer surface of mitoplast. On the mitoslast model we strictly shown that non-equilibrium R-proton fraction is localized on the surface of the inner mitochondrial membrane. In this paper a surface-active compound--anion of 2,4,6-trichloro-3-pentadecylphenol (TCP-C15) is described, which selectively interacts with the R-protons fraction in mitochondria. A detailed description of the specific interaction of the TCP-C15 with R-protons fraction in mitochondria is presented. Moreover, in this work it was found that phosphate transport system reacts with the R-protons fraction in mitochondria and plays the role of the endogenous volume regulation system of this fraction. The results of experiments are discussed in the terms of a local coupling model of the phosphorylation mechanism.

Radiographic Underestimation of In Vivo Cup Coverage Provided by Total Hip Arthroplasty for Dysplasia.

PubMed

Nie, Yong; Wang, HaoYang; Huang, ZeYu; Shen, Bin; Kraus, Virginia Byers; Zhou, Zongke

2018-01-01

The accuracy of using 2-dimensional anteroposterior pelvic radiography to assess acetabular cup coverage among patients with developmental dysplasia of the hip after total hip arthroplasty (THA) remains unclear in retrospective clinical studies. A group of 20 patients with developmental dysplasia of the hip (20 hips) underwent cementless THA. During surgery but after acetabular reconstruction, bone wax was pressed onto the uncovered surface of the acetabular cup. A surface model of the bone wax was generated with 3-dimensional scanning. The percentage of the acetabular cup that was covered by intact host acetabular bone in vivo was calculated with modeling software. Acetabular cup coverage also was determined from a postoperative supine anteroposterior pelvic radiograph. The height of the hip center (distance from the center of the femoral head perpendicular to the inter-teardrop line) also was determined from radiographs. Radiographic cup coverage was a mean of 6.93% (SD, 2.47%) lower than in vivo cup coverage for these 20 patients with developmental dysplasia of the hip (P<.001). However, both methods yielded highly correlated measurements for cup coverage (Pearson r=0.761, P<.001). The size of the acetabular cup (P=.001) but not the position of the hip center (high vs normal) was significantly associated with the difference between radiographic and in vivo cup coverage. Two-dimensional radiographically determined cup coverage conservatively reflects in vivo cup coverage and remains an important index (taking 7% underestimation errors and the effect of greater underestimation of larger cup size into account) for assessing the stability of the cup and monitoring for adequate ingrowth of bone. [Orthopedics. 2018; 41(1):e46-e51.]. Copyright 2017, SLACK Incorporated.

Walking peptide on Au(110) surface: Origin and nature of interfacial process

NASA Astrophysics Data System (ADS)

Humblot, V.; Tejeda, A.; Landoulsi, J.; Vallée, A.; Naitabdi, A.; Taleb, A.; Pradier, C.-M.

2014-10-01

IGF tri-peptide adsorption on Au(110)-(1 × 2) under Ultra High Vacuum (UHV) conditions has been investigated using surface science techniques such as synchrotron based Angle Resolved X-ray Photoemission Spectroscopy (AR-PES or AR-XPS), Low Energy Electron Diffraction (LEED) and Scanning Tunnelling Microscopy (STM). The behaviour of IGF molecules has been revealed to be coverage dependent; at low coverage, there is formation of islands presenting a chiral self-organised molecular network with a (4 2, - 3 2) symmetry as shown by Low Energy Electron Diffraction (LEED) and Scanning Tunnelling Microscopy (STM) on the unaltered Au(110)-(1 × 2) reconstruction, suggesting significant intermolecular interactions. When the coverage is increased, the islands grow bigger, and one can observe the disappearance of the self-organised network, along with a remarkable destruction of the (1 × 2) substrate reconstruction, as shown by STM. The effect of IGF on the surface gold atoms has been further confirmed by angle-resolved photoemission measurements which suggest a modification of the electronic states with the (1 × 2) symmetry. The resulting molecular organisation, and overall the gold surface disorganisation, prove a strong surface-molecule interaction, which may be probably be explained by a covalent bonding.

Elasticity of the hair cover in air-retaining Salvinia surfaces

NASA Astrophysics Data System (ADS)

Ditsche, Petra; Gorb, Elena; Mayser, Matthias; Gorb, Stanislav; Schimmel, Thomas; Barthlott, Wilhelm

2015-11-01

Immersed in water superhydrophobic surfaces (e.g., lotus) maintain thin temporary air films. In certain aquatic plants and animals, these films are thicker and more persistent. Floating ferns of the genus Salvinia show elaborated hierarchical superhydrophobic surface structures: a hairy cover of complex trichomes. In the case of S. molesta, they are eggbeater shaped and topped by hydrophilic tips, which pin the air-water interface and prevent rupture of contact. It has been proposed that these trichomes can oscillate with the air-water interface, when turbulences occur and thereby stabilize the air film. The deformability of such arrays of trichomes requires a certain elasticity of the structures. In this study, we determined the stiffness of the trichome coverage of S. molesta and three other Salvinia species. Our results confirm the elasticity of the trichome coverage in all investigated Salvinia species. We did not reveal a clear relationship between the time of air retention and stiffness of the trichome coverage, which means that the air retention function is additionally dependent on different parameters, e.g., the trichome shape and surface free energy. These data are not only interesting for Salvinia biology, but also important for the development of biomimetic air-retaining surfaces.

The role of high oxygen vacancy concentration on modification of surface properties and H2S adsorption on the rutile TiO2 (110)

NASA Astrophysics Data System (ADS)

Wei, Shiqian; Wang, Fang; Dan, Meng; Zeng, Kaiyue; Zhou, Ying

2017-11-01

In this work, spin-polarized DFT + U method has been employed to investigate adsorption properties of H2S on the rutile TiO2 (110) surface with a high coverage of bridging oxygen vacancies (BOVs). The influence of different BOV coverage (θ-BOVs) on the surface electronic structure is examined. Defected states increase within the band gap with θ-BOVs increasing from 1/8 to 4/8 monolayer (ML). The high defected surface with θ-BOVs = 4/8 ML is determined to have a desired band structure and noticeable visible light response. In addition, H2S adsorption behaviors are noticeably affected by different H2S coverage (θ-H2S). Particularly, it is found molecular adsorption at θ-H2S ≤ 1/8 ML and dissociative adsorption at the higher θ-H2S. The maximization of spontaneous dissociation of H2S can be realized when the BOVs are all covered by H2S molecules. This work gains mechanistic insights into BOVs in tuning the surface properties and provides a guide for the effective utilization of the active surface sites on the rutile TiO2 (110) in the field of H2S splitting.

Thermal effects on electronic properties of CO/Pt(111) in water.

PubMed

Duan, Sai; Xu, Xin; Luo, Yi; Hermansson, Kersti; Tian, Zhong-Qun

2013-08-28

Structure and adsorption energy of carbon monoxide molecules adsorbed on the Pt(111) surfaces with various CO coverages in water as well as work function of the whole systems at room temperature of 298 K were studied by means of a hybrid method that combines classical molecular dynamics and density functional theory. We found that when the coverage of CO is around half monolayer, i.e. 50%, there is no obvious peak of the oxygen density profile appearing in the first water layer. This result reveals that, in this case, the external force applied to water molecules from the CO/Pt(111) surface almost vanishes as a result of the competitive adsorption between CO and water molecules on the Pt(111) surface. This coverage is also the critical point of the wetting/non-wetting conditions for the CO/Pt(111) surface. Averaged work function and adsorption energy from current simulations are consistent with those of previous studies, which show that thermal average is required for direct comparisons between theoretical predictions and experimental measurements. Meanwhile, the statistical behaviors of work function and adsorption energy at room temperature have also been calculated. The standard errors of the calculated work function for the water-CO/Pt(111) interfaces are around 0.6 eV at all CO coverages, while the standard error decreases from 1.29 to 0.05 eV as the CO coverage increases from 4% to 100% for the calculated adsorption energy. Moreover, the critical points for these electronic properties are the same as those for the wetting/non-wetting conditions. These findings provide a better understanding about the interfacial structure under specific adsorption conditions, which can have important applications on the structure of electric double layers and therefore offer a useful perspective for the design of the electrochemical catalysts.

Alcohol, illegal drugs, violent crime, and traffic-related and other unintended injuries in U.S. local and national news.

PubMed

Slater, Michael D; Long, Marilee; Ford, Valerie L

2006-11-01

The present study seeks to establish the extent to which media coverage acknowledges alcohol's contribution to violent crime as well as to motor vehicle injuries and other injury incidents. The study content-analyzes a unique sample, closely approximating national representativeness, of local and national television news, local newspapers, and national magazines randomly sampled during a 2-year period. Alcohol's role in violent crime and, to a lesser extent, in motor vehicle and other injury incidents is underreported relative to available estimates regarding alcohol-attributable fractions. Relative frequency of various news frames for coverage of alcohol and illegal drugs and differences in coverage of alcohol and illegal drugs as a function of the type of story and news medium are described. The underreporting in the United States of alcohol's contribution to serious and fatal injury from these causes may reduce public perceptions of alcohol-related risks, potentially influencing behavior, including public support of alcohol-control policies. This provides an opportunity for media-advocacy approaches to improve public health content of news coverage.

The commensurate-to-incommensurate phase transition of an organic monolayer: A high resolution LEED analysis of the superstructures of NTCDA on Ag(1 1 1)

NASA Astrophysics Data System (ADS)

Kilian, L.; Stahl, U.; Kossev, I.; Sokolowski, M.; Fink, R.; Umbach, E.

2008-07-01

The structural order of 1,4,9,10-naphthalene-tetracarboxylicacid-dianhydride (NTCDA) monolayers on Ag(1 1 1) has been investigated by spot profile analysis low energy electron diffraction (SPA-LEED). For increasing coverage, we find a sequence of three highly ordered structures: a commensurate structure (α), a uniaxially incommensurate structure (α 2), and an incommensurate structure (β) with coverages of 0.9 ML, 0.95 ML, and 1 (saturated) monolayer (ML), respectively. In the high coverage regime, the structures coexist and a coverage increase causes a change of their relative fractions. The α and β structures were known before [U. Stahl, D. Gador, A. Soukopp, R. Fink, E. Umbach, Surf. Sci. 414 (1998) 423], but the β structure was proposed as commensurate, since its very small misfit with respect to a commensurate structure could not be resolved. This misfit leads to a periodic modulation, causing additional Moiré satellites in the diffraction pattern. This finding demonstrates the importance of high resolution methods for the geometry determination of large organic adsorbates.

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

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

Schultz, K.A.

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

Iron phthalocyanine on Cu(111): Coverage-dependent assembly and symmetry breaking, temperature-induced homocoupling, and modification of the adsorbate-surface interaction by annealing.

PubMed

Snezhkova, Olesia; Bischoff, Felix; He, Yuanqin; Wiengarten, Alissa; Chaudhary, Shilpi; Johansson, Niclas; Schulte, Karina; Knudsen, Jan; Barth, Johannes V; Seufert, Knud; Auwärter, Willi; Schnadt, Joachim

2016-03-07

We have examined the geometric and electronic structures of iron phthalocyanine assemblies on a Cu(111) surface at different sub- to mono-layer coverages and the changes induced by thermal annealing at temperatures between 250 and 320 °C by scanning tunneling microscopy, x-ray photoelectron spectroscopy, and x-ray absorption spectroscopy. The symmetry breaking observed in scanning tunneling microscopy images is found to be coverage dependent and to persist upon annealing. Further, we find that annealing to temperatures between 300 and 320 °C leads to both desorption of iron phthalocyanine molecules from the surface and their agglomeration. We see clear evidence of temperature-induced homocoupling reactions of the iron phthalocyanine molecules following dehydrogenation of their isoindole rings, similar to what has been observed for related tetrapyrroles on transition metal surfaces. Finally, spectroscopy indicates a modified substrate-adsorbate interaction upon annealing with a shortened bond distance. This finding could potentially explain a changed reactivity of Cu-supported iron phthalocyanine in comparison to that of the pristine compound.

Coverage and velocity dependent sticking coefficient and particle emission kinetics in the Cl2gas + Ksolid reaction

NASA Astrophysics Data System (ADS)

Hellberg, Lars; Kasemo, Bengt

Some strongly exothermic and non-adiabatic surface adsorption events, especially those where electronegative molecules adsorb on very electropositive (low work function) surfaces, are accompanied by emission of (exo)electrons, photons, excited atoms and negative ions. The reaction of halogen molecules with halogen surfaces constitute an efficient model system for such studies. We have previously reported data for the emission of negative particles and photons in the zero coverage limit for a range of velocities of Cl2 molecules impinging on cold potassium surfaces as well as the mechanism behind these emission processes. In the present work, we focus on measurements of the kinetics, i.e. the exposure/coverage dependence, of these processes for the same system. Specifically, we present data for, (i) the separated contributions from electrons and Cl- ions of the emitted negative particles, (ii) the photon emission stemming both from excited Potassium atoms and from the equivalent process causing electron emission, (iii) the change of the work function during the initial exposure and, finally, (iv) the sticking coefficient for different Cl2 velocities and exposures.

Electrografted diazonium salt layers for antifouling on the surface of surface plasmon resonance biosensors.

PubMed

Zou, Qiongjing; Kegel, Laurel L; Booksh, Karl S

2015-02-17

Electrografted diazonium salt layers on the surface of surface plasmon resonance (SPR) sensors present potential for a significant improvement in antifouling coatings. A pulsed potential deposition profile was used in order to circumvent mass-transport limitations for layer deposition rate. The influence of number of pulses with respect to antifouling efficacy was evaluated by nonspecific adsorption surface coverage of crude bovine serum proteins. Instead of using empirical and rough estimated values, the penetration depth and sensitivity of the SPR instrument were experimentally determined for the calculation of nonspecific adsorption surface coverage. This provides a method to better examine antifouling surface coatings and compare crossing different coatings and experimental systems. Direct comparison of antifouling performance of different diazonium salts was facilitated by a tripad SPR sensor design. The electrografted 4-phenylalanine diazonium chloride (4-APhe) layers with zwitterionic characteristic demonstrate ultralow fouling.

Oil slick morphology derived from AVIRIS measurements of the Deepwater Horizon oil spill: Implications for spatial resolution requirements of remote sensors

USGS Publications Warehouse

Sun, Shaojie; Hu, Chuanmin; Feng, Lian; Swayze, Gregg A.; Holmes, Jamie; Graettinger, George; MacDonald, Ian R.; Garcia, Oscar; Leifer, Ira

2016-01-01

Using fine spatial resolution (~ 7.6 m) hyperspectral AVIRIS data collected over the Deepwater Horizon oil spill in the Gulf of Mexico, we statistically estimated slick lengths, widths and length/width ratios to characterize oil slick morphology for different thickness classes. For all AVIRIS-detected oil slicks (N = 52,100 continuous features) binned into four thickness classes (≤ 50 μm but thicker than sheen, 50–200 μm, 200–1000 μm, and > 1000 μm), the median lengths, widths, and length/width ratios of these classes ranged between 22 and 38 m, 7–11 m, and 2.5–3.3, respectively. The AVIRIS data were further aggregated to 30-m (Landsat resolution) and 300-m (MERIS resolution) spatial bins to determine the fractional oil coverage in each bin. Overall, if 50% fractional pixel coverage were to be required to detect oil with thickness greater than sheen for most oil containing pixels, a 30-m resolution sensor would be needed.

Seasonal Change in Titan's Cloud Activity

NASA Astrophysics Data System (ADS)

Schaller, E. L.; Brown, M. E.; Roe, H. G.

2006-12-01

We have acquired whole disk spectra of Titan on nineteen nights with IRTF/SpeX over a three-month period in the spring of 2006 and will acquire data on ~50 additional nights between September and December 2006. The data encompass the spectral range of 0.8 to 2.4 microns at a resolution of 375. These disk- integrated spectra allow us to determine Titan's total fractional cloud coverage and altitudes of clouds present. We find that Titan had less than 0.15% fractional cloud coverage on all but one of the nineteen nights. The near lack of cloud activity in these spectra is in sharp contrast to nearly every spectrum taken from 1995-1999 with UKIRT by Griffith et al. (1998 &2000) who found rapidly varying clouds covering ~0.5% of Titan's disk. The differences in these two similar datasets indicate a striking seasonal change in the behavior of Titan's clouds. Observations of the latitudes, magnitudes, altitudes, and frequencies of Titan's clouds as Titan moves toward southern autumnal equinox in 2009 will help elucidate when and how Titan's methane hydrological cycle changes with season.

An operando Raman study of molecular structure and reactivity of molybdenum(VI) oxide supported on anatase for the oxidative dehydrogenation of ethane.

PubMed

Tsilomelekis, George; Boghosian, Soghomon

2012-02-21

Supported molybdenum oxide catalysts on TiO(2) (anatase) with surface densities in the range of 1.8-17.0 Mo per nm(2) were studied at temperatures of 410-480 °C for unraveling the configuration and molecular structure of the deposited (MoO(x))(n) species and examining their behavior for the ethane oxidative dehydrogenation (ODH). In situ Raman and in situ FTIR spectra under oxidizing conditions combined with (18)O/(16)O isotope exchange studies provide the first sound evidence for mono-oxo configuration for the deposited (MoO(x))(n) species on anatase. Isolated O=Mo(-O-)(3) tetra-coordinated species in C(3v)-like symmetry prevail at all surface coverages with a low presence of associated (polymeric) species (probably penta-coordinated) evidenced at high coverages, below the approximate monolayer of 6 Mo per nm(2). A mechanistic scenario for (18)O/(16)O isotope exchange and next-nearest-neighbor vibrational isotope effect is proposed at the molecular level to account for the pertinent spectral observations. Catalytic measurements for ethane ODH with simultaneous monitoring of operando Raman spectra were performed. The selectivity to ethylene increases with increasing surface density up to the monolayer coverage, where primary steps of ethane activation follow selective reaction pathways leading to ∼100% C(2)H(4) selectivity. The operando Raman spectra and a quantitative exploitation of the relative normalized Mo=O band intensities for surface densities of 1.8-5.9 Mo per nm(2) and various residence times show that the terminal Mo=O sites are involved in non-selective reaction turnovers. Reaction routes follow primarily non-selective pathways at low coverage and selective pathways at high coverage. Trends in the initial rates of ethane consumption (apparent reactivity per Mo) as a function of Mo surface density are discussed on the basis of several factors.

Phase quantification by X-ray photoemission valence band analysis applied to mixed phase TiO2 powders

NASA Astrophysics Data System (ADS)

Breeson, Andrew C.; Sankar, Gopinathan; Goh, Gregory K. L.; Palgrave, Robert G.

2017-11-01

A method of quantitative phase analysis using valence band X-ray photoelectron spectra is presented and applied to the analysis of TiO2 anatase-rutile mixtures. The valence band spectra of pure TiO2 polymorphs were measured, and these spectral shapes used to fit valence band spectra from mixed phase samples. Given the surface sensitive nature of the technique, this yields a surface phase fraction. Mixed phase samples were prepared from high and low surface area anatase and rutile powders. In the samples studied here, the surface phase fraction of anatase was found to be linearly correlated with photocatalytic activity of the mixed phase samples, even for samples with very different anatase and rutile surface areas. We apply this method to determine the surface phase fraction of P25 powder. This method may be applied to other systems where a surface phase fraction is an important characteristic.

Conversion of 1,3-Propylene Glycol on Rutile TiO2(110)

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

Chen, Long; Li, Zhenjun; Smith, R. Scott

2014-10-09

The adsorption of 1,3-propylene glycol (1,3-PG) on partially reduced TiO2(110) and its conversion to products have been studied by a combination of molecular beam dosing and temperature programmed desorption (TPD). When the Ti surface sites are saturated by 1,3-PG, ~80% of the molecules undergo further reactions to yield products that are liberated during the TPD ramp. In contrast to ethylene glycol (EG) and 1,2- propylene glycol (1,2-PG) that yield only alkenes and water at very low coverages (< 0.05 ML), two additional products, HCHO and C2H4, along with propylene (CH3CHCH2) and water are observed for 1,3-PG. Identical TPD line shapesmore » and desorption yields for HCHO and C2H4 suggest that these products result from C-C bond cleavage and are coupled. At higher 1,3-PG coverages (> 0.1 ML), propanal (CH3CH2CHO) and two additional products, 1-propanol (CH3CH2CH2OH) and acrolein (CH2CHCHO), are observed. The desorption of 1-propanol is found to be coupled with the desorption of acrolein, suggesting that these products are formed by the disproportionation of two 1,3-PG molecules. The coverage dependent TPD results further show that propylene formation dominates at low coverages (< 0.3 ML), while the decomposition and disproportionation channels increase rapidly at higher coverages and reach yields comparable to that of propylene at the 1,3-PG saturation coverage of 0.5 ML. The observed surface chemistry clearly shows how the molecular structure of glycols influences their reaction pathways on oxide surfaces.« less

Three independent one-dimensional margins for single-fraction frameless stereotactic radiosurgery brain cases using CBCT

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

Zhang, Qinghui; Chan, Maria F.; Burman, Chandra

2013-12-15

Purpose: Setting a proper margin is crucial for not only delivering the required radiation dose to a target volume, but also reducing the unnecessary radiation to the adjacent organs at risk. This study investigated the independent one-dimensional symmetric and asymmetric margins between the clinical target volume (CTV) and the planning target volume (PTV) for linac-based single-fraction frameless stereotactic radiosurgery (SRS).Methods: The authors assumed a Dirac delta function for the systematic error of a specific machine and a Gaussian function for the residual setup errors. Margin formulas were then derived in details to arrive at a suitable CTV-to-PTV margin for single-fractionmore » frameless SRS. Such a margin ensured that the CTV would receive the prescribed dose in 95% of the patients. To validate our margin formalism, the authors retrospectively analyzed nine patients who were previously treated with noncoplanar conformal beams. Cone-beam computed tomography (CBCT) was used in the patient setup. The isocenter shifts between the CBCT and linac were measured for a Varian Trilogy linear accelerator for three months. For each plan, the authors shifted the isocenter of the plan in each direction by ±3 mm simultaneously to simulate the worst setup scenario. Subsequently, the asymptotic behavior of the CTV V{sub 80%} for each patient was studied as the setup error approached the CTV-PTV margin.Results: The authors found that the proper margin for single-fraction frameless SRS cases with brain cancer was about 3 mm for the machine investigated in this study. The isocenter shifts between the CBCT and the linac remained almost constant over a period of three months for this specific machine. This confirmed our assumption that the machine systematic error distribution could be approximated as a delta function. This definition is especially relevant to a single-fraction treatment. The prescribed dose coverage for all the patients investigated was 96.1%± 5.5% with an extreme 3-mm setup error in all three directions simultaneously. It was found that the effect of the setup error on dose coverage was tumor location dependent. It mostly affected the tumors located in the posterior part of the brain, resulting in a minimum coverage of approximately 72%. This was entirely due to the unique geometry of the posterior head.Conclusions: Margin expansion formulas were derived for single-fraction frameless SRS such that the CTV would receive the prescribed dose in 95% of the patients treated for brain cancer. The margins defined in this study are machine-specific and account for nonzero mean systematic error. The margin for single-fraction SRS for a group of machines was also derived in this paper.« less

Molecular diagnostics using magnetic nanobeads

NASA Astrophysics Data System (ADS)

Zardán Gómez de la Torre, Teresa; Strömberg, Mattias; Göransson, Jenny; Gunnarsson, Klas; Nilsson, Mats; Svedlindh, Peter; Strømme, Maria

2010-01-01

In this paper, we investigate the volume-amplified magnetic nanobead detection assay with respect to bead size, bead concentration and bead oligonucleotide surface coverage in order to improve the understanding of the underlying microscopic mechanisms. It has been shown that: (i) the immobilization efficiency of the beads depends on the surface coverage of oligonucleotides, (ii) by using lower amounts of probe-tagged beads, detection sensitivity can be improved and (iii) using small enough beads enables both turn-off and turn-on detection. Finally, biplex detection was demonstrated.

Adsorption and Structure of Chiral Epoxides on Pd(111): Propylene Oxide and Glycidol

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

Mahapatra, Mausumi; Tysoe, Wilfred T.

Here, the adsorption of enantiopure versus racemic propylene oxide (PO) on Pd(111) is studied by temperature-programmed desorption (TPD) to explore possible differences in their saturation coverage. It is found that that the saturation coverage of enantiopure PO on Pd(111) is identical to that of racemic PO, in contrast to results on Pt(111) where significant coverage differences were found. The surface structures of enantiopure PO on Pd(111) were characterized by scanning tunneling microscopy (STM), which shows the formation of linear chains and hexagonal structures proposed to be due to freely rotating PO, in contrast to the relatively disordered PO overlayers foundmore » on Pt(111). STM experiments were carried out for enantiopure glycidol, which contains the same epoxy ring as PO, but where the methyl group of propylene oxide is replaced by a -CH 2OH group to provide a hydrogen-bonding sites. Glycidol STM images show the formation of completely different surface structures; at low coverages, glycidol forms pseudohexagonal structures which assemble from glycidol dimers, while at high coverages the surface shows extensive hydrogen-bonded networks. Density functional theory (DFT) calculations were carried out to model the enantiopure PO linear chain and the glycidol dimers that are observed by STM. Similar calculations were carried out for racemic PO and glycidol structures. The calculated interaction energies for the enantiopure and the racemic pairs reveal that there is no difference for homochiral versus heterochiral structures for both PO and glycidol on Pd(111).« less

Adsorption and Structure of Chiral Epoxides on Pd(111): Propylene Oxide and Glycidol

DOE PAGES

Mahapatra, Mausumi; Tysoe, Wilfred T.

2018-01-03

Here, the adsorption of enantiopure versus racemic propylene oxide (PO) on Pd(111) is studied by temperature-programmed desorption (TPD) to explore possible differences in their saturation coverage. It is found that that the saturation coverage of enantiopure PO on Pd(111) is identical to that of racemic PO, in contrast to results on Pt(111) where significant coverage differences were found. The surface structures of enantiopure PO on Pd(111) were characterized by scanning tunneling microscopy (STM), which shows the formation of linear chains and hexagonal structures proposed to be due to freely rotating PO, in contrast to the relatively disordered PO overlayers foundmore » on Pt(111). STM experiments were carried out for enantiopure glycidol, which contains the same epoxy ring as PO, but where the methyl group of propylene oxide is replaced by a -CH 2OH group to provide a hydrogen-bonding sites. Glycidol STM images show the formation of completely different surface structures; at low coverages, glycidol forms pseudohexagonal structures which assemble from glycidol dimers, while at high coverages the surface shows extensive hydrogen-bonded networks. Density functional theory (DFT) calculations were carried out to model the enantiopure PO linear chain and the glycidol dimers that are observed by STM. Similar calculations were carried out for racemic PO and glycidol structures. The calculated interaction energies for the enantiopure and the racemic pairs reveal that there is no difference for homochiral versus heterochiral structures for both PO and glycidol on Pd(111).« less

Ab initio study of Ga-GaN system: Transition from adsorbed metal atoms to a metal–semiconductor junction

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

Witczak, Przemysław; Kempisty, Pawel; Strak, Pawel

2015-11-15

Ab initio studies of a GaN(0001)-Ga system with various thicknesses of a metallic Ga layer were undertaken. The studied systems extend from a GaN(0001) surface with a fractional coverage of gallium atoms to a Ga-GaN metal–semiconductor (m–s) contact. Electronic properties of the system are simulated using density functional theory calculations for different doping of the bulk semiconductor. It is shown that during transition from a bare GaN(0001) surface to a m–s heterostructure, the Fermi level stays pinned at a Ga-broken bond highly dispersive surface state to Ga–Ga states at the m–s interface. Adsorption of gallium leads to an energy gainmore » of about 4 eV for a clean GaN(0001) surface and the energy decreases to 3.2 eV for a thickly Ga-covered surface. The transition to the m–s interface is observed. For a thick Ga overlayer such interface corresponds to a Schottky contact with a barrier equal to 0.9 and 0.6 eV for n- and p-type, respectively. Bond polarization-related dipole layer occurring due to an electron transfer to the metal leads to a potential energy jump of 1.5 eV, independent on the semiconductor doping. Additionally high electron density in the Ga–Ga bond region leads to an energy barrier about 1.2 eV high and 4 Å wide. This feature may adversely affect the conductivity of the n-type m–s system.« less

Sedimentary controls on modern sand grain coat formation

NASA Astrophysics Data System (ADS)

Dowey, Patrick J.; Worden, Richard H.; Utley, James; Hodgson, David M.

2017-05-01

Coated sand grains can influence reservoir quality evolution during sandstone diagenesis. Porosity can be reduced and fluid flow restricted where grain coats encroach into pore space. Conversely pore-lining grain coats can restrict the growth of pore-filling quartz cement in deeply buried sandstones, and thus can result in unusually high porosity in deeply buried sandstones. Being able to predict the distribution of coated sand grains within petroleum reservoirs is thus important to help find good reservoir quality. Here we report a modern analogue study of 12 sediment cores from the Anllóns Estuary, Galicia, NW Spain, collected from a range of sub-environments, to help develop an understanding of the occurrence and distribution of coated grains. The cores were described for grain size, bioturbation and sedimentary structures, and then sub-sampled for electron and light microscopy, laser granulometry, and X-ray diffraction analysis. The Anllóns Estuary is sand-dominated with intertidal sand flats and saltmarsh environments at the margins; there is a shallowing/fining-upwards trend in the estuary-fill succession. Grain coats are present in nearly every sample analysed; they are between 1 μm and 100 μm thick and typically lack internal organisation. The extent of grain coat coverage can exceed 25% in some samples with coverage highest in the top 20 cm of cores. Samples from muddy intertidal flat and the muddy saltmarsh environments, close to the margins of the estuary, have the highest coat coverage (mean coat coverage of 20.2% and 21.3%, respectively). The lowest mean coat coverage occurs in the sandy saltmarsh (10.4%), beyond the upper tidal limit and sandy intertidal flat environments (8.4%), close to the main estuary channel. Mean coat coverage correlates with the concentration of clay fraction. The primary controls on the distribution of fine-grained sediment, and therefore grain coat distribution, are primary sediment transport and deposition processes that concentrate the clay fraction in the sediment towards the margins of the estuary. Bioturbation and clay illuviation/mechanical infiltration are secondary processes that may redistribute fine-grained sediment and produce grain coats. Here we have shown that detrital grain coats are more likely in marginal environments of ancient estuary-fills, which are typically found in the fining-upward part of progradational successions.

The analysis of polar clouds from AVHRR satellite data using pattern recognition techniques

NASA Technical Reports Server (NTRS)

Smith, William L.; Ebert, Elizabeth

1990-01-01

The cloud cover in a set of summertime and wintertime AVHRR data from the Arctic and Antarctic regions was analyzed using a pattern recognition algorithm. The data were collected by the NOAA-7 satellite on 6 to 13 Jan. and 1 to 7 Jul. 1984 between 60 deg and 90 deg north and south latitude in 5 spectral channels, at the Global Area Coverage (GAC) resolution of approximately 4 km. This data embodied a Polar Cloud Pilot Data Set which was analyzed by a number of research groups as part of a polar cloud algorithm intercomparison study. This study was intended to determine whether the additional information contained in the AVHRR channels (beyond the standard visible and infrared bands on geostationary satellites) could be effectively utilized in cloud algorithms to resolve some of the cloud detection problems caused by low visible and thermal contrasts in the polar regions. The analysis described makes use of a pattern recognition algorithm which estimates the surface and cloud classification, cloud fraction, and surface and cloudy visible (channel 1) albedo and infrared (channel 4) brightness temperatures on a 2.5 x 2.5 deg latitude-longitude grid. In each grid box several spectral and textural features were computed from the calibrated pixel values in the multispectral imagery, then used to classify the region into one of eighteen surface and/or cloud types using the maximum likelihood decision rule. A slightly different version of the algorithm was used for each season and hemisphere because of differences in categories and because of the lack of visible imagery during winter. The classification of the scene is used to specify the optimal AVHRR channel for separating clear and cloudy pixels using a hybrid histogram-spatial coherence method. This method estimates values for cloud fraction, clear and cloudy albedos and brightness temperatures in each grid box. The choice of a class-dependent AVHRR channel allows for better separation of clear and cloudy pixels than does a global choice of a visible and/or infrared threshold. The classification also prevents erroneous estimates of large fractional cloudiness in areas of cloudfree snow and sea ice. The hybrid histogram-spatial coherence technique and the advantages of first classifying a scene in the polar regions are detailed. The complete Polar Cloud Pilot Data Set was analyzed and the results are presented and discussed.

Daily High-Resolution Flood Maps of Africa: 1992-present with Near Real Time Updates

NASA Astrophysics Data System (ADS)

Picton, J.; Galantowicz, J. F.; Root, B.

2016-12-01

The ability to characterize past and current flood extents frequently, accurately, and at high resolution is needed for many applications including risk assessment, wetlands monitoring, and emergency management. However, remote sensing methods have not been capable of meeting all of these requirements simultaneously. Cloud cover too often obscures the surface for visual and infrared sensors and observations from radar sensors are too infrequent to create consistent historical databases or monitor evolving events. Lower-resolution (10-50 km) passive microwave sensors, such as SSM/I, AMSR-E, and AMSR2, are sensitive to water cover, acquire useful data during clear and cloudy conditions, have revisit periods of up to twice daily, and provide a continuous record of data from 1992 to the present. What they lack most is the resolution needed to map flood extent. We will present results from a flood mapping system capable of producing high-resolution (90-m) flood extent depictions from lower resolution microwave data. The system uses the strong sensitivity of microwave data to surface water coverage combined with land surface and atmospheric data to derive daily flooded fraction estimates on a sensor-footprint basis. The system downscales flooded fraction to make high-resolution Boolean flood extent depictions that are spatially continuous and consistent with the lower resolution data. The downscaling step is based on a relative floodability (RF) index derived from higher-resolution topographic and hydrological data. We process RF to create a flooded fraction threshold map that relates each 90-m grid point to the surrounding terrain at the microwave scale. We have derived daily, 90-m resolution flood maps for Africa covering 1992-present using SSM/I, AMSR-E, and AMSR2 data and we are now producing new daily maps in near real time. The flood maps are being used by the African Risk Capacity (ARC) Agency to underpin an intergovernmental river flood insurance program in Africa. We will present results showing daily flood extents during major events and discuss: validation of the flood maps against MODIS-derived maps; analyses of minimum detectable flood size; aggregate analyses of flood extent over time; flood map use in ARC's insurance model; and results applying the system to the Americas.

SU-E-T-448: Heightened Apical Positivity of 2-Year Post-Radiotherapy Biopsies Is Not Related to Suboptimal Dosimetry

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

Studenski, M; Stoyanova, R; Abramowitz, M

2015-06-15

Purpose: Previous research has demonstrated that following radiation therapy for prostate cancer, there is a relative increase in positive biopsies in the apex versus the rest of the prostate. The increase could be due to: 1) Inter-fraction apex motion or deformation, 2) Intra-fraction apex motion or deformation, 3) Suboptimal dose coverage in the apex, 4) Tissue composition in the apex and/or 5) Prostate size. In this initial study, the potential for suboptimal dose coverage in the apex was assessed by splitting the prostate planning target volume into the apex (inferior third) and remainder. Methods: 69 patients were selected from 303more » patients treated on a clinical radiotherapy trial for prostate cancer. These patients were selected as they had both a localized (sextant template) 2-year post-treatment biopsy and 3D dose information. Of these patients, 10 had positive biopsies in the apex, 8 in the remainder and 11 in both locations. For all patients, the following dosimetric data was acquired from the apex dose volume histogram: Dmean, Dmax, Dmin, D95% and V100%. Unpaired, one-tailed t-tests were used to test for statistical significance (p < 0.05) between all dosimetric parameters for patients with positive versus negative apical biopsies. Additionally, D95% for the apex was plotted against D95% of the remainder. Results: There was no statistical difference for the selected apical dosimetric parameters for patients with positive versus negative biopsies (p-values > 0.05). No correlation was found between D95% (normalized to the prescription dose) for the apex and remainder (R{sup 2} = 0.0116). Conclusion: No correlation was found between positive apical biopsy and suboptimal dosimetric coverage. Current research is looking into inter-fraction apex motion and deformation as a potential source of the increased apical failure using daily CBCT images.« less

Evaluating the responses of forest ecosystems to climate change and CO2 using dynamic global vegetation models.

PubMed

Song, Xiang; Zeng, Xiaodong

2017-02-01

The climate has important influences on the distribution and structure of forest ecosystems, which may lead to vital feedback to climate change. However, much of the existing work focuses on the changes in carbon fluxes or water cycles due to climate change and/or atmospheric CO 2 , and few studies have considered how and to what extent climate change and CO 2 influence the ecosystem structure (e.g., fractional coverage change) and the changes in the responses of ecosystems with different characteristics. In this work, two dynamic global vegetation models (DGVMs): IAP-DGVM coupled with CLM3 and CLM4-CNDV, were used to investigate the response of the forest ecosystem structure to changes in climate (temperature and precipitation) and CO 2 concentration. In the temperature sensitivity tests, warming reduced the global area-averaged ecosystem gross primary production in the two models, which decreased global forest area. Furthermore, the changes in tree fractional coverage (Δ F tree ; %) from the two models were sensitive to the regional temperature and ecosystem structure, i.e., the mean annual temperature (MAT; °C) largely determined whether Δ F tree was positive or negative, while the tree fractional coverage ( F tree ; %) played a decisive role in the amplitude of Δ F tree around the globe, and the dependence was more remarkable in IAP-DGVM. In cases with precipitation change, F tree had a uniformly positive relationship with precipitation, especially in the transition zones of forests (30% <  F tree  < 60%) for IAP-DGVM and in semiarid and arid regions for CLM4-CNDV. Moreover, Δ F tree had a stronger dependence on F tree than on the mean annual precipitation (MAP; mm/year). It was also demonstrated that both models captured the fertilization effects of the CO 2 concentration.

Adsorption differences between low coverage enantiomers of alanine on the chiral Cu{421}R surface.

PubMed

Gladys, Michael J; Han, Jeong Woo; Pedersen, Therese S; Tadich, Anton; O'Donnell, Kane M; Thomsen, Lars

2017-05-31

Chiral separation using heterogeneous methods has long been sought after. Chiral metal surfaces have the potential to make it possible to model these systems using small amino acids, the building blocks for proteins. A comparison of submonolayer concentrations of alanine enantiomers adsorbed onto Cu{421} R has revealed a large geometrical differences between the two molecules as compared to the saturated coverage. Large differences were observed in HR-XPS and NEXAFS and complemented by theoretical DFT calculations. At approximately one third of a monolayer a comparison of the C1s XPS signal showed a shift in the methyl group of more than 300 meV indicating that the two enantiomers are in different chemical environments. NEXAFS spectroscopy confirmed the XPS variations and showed large differences in the orientation of the adsorbed molecules. Our DFT results show that the l-enantiomer is energetically the most stable in the {311} microfacet configuration. In contrast to the full monolayer coverage, these lower coverages showed enhanced selectivity.

Coverage dependent non-adiabaticity of CO on a copper surface

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

Omiya, Takuma; Surface and Interface Science Laboratory, RIKEN, Wako 351-0198; Arnolds, Heike

2014-12-07

We have studied the coverage-dependent energy transfer dynamics between hot electrons and CO on Cu(110) with femtosecond visible pump, sum frequency probe spectroscopy. We find that transients of the C–O stretch frequency display a red shift, which increases from 3 cm{sup −1} at 0.1 ML to 9 cm{sup −1} at 0.77 ML. Analysis of the transients reveals that the non-adiabatic coupling between the adsorbate vibrational motion and the electrons becomes stronger with increasing coverage. This trend requires the frustrated rotational mode to be the cause of the non-adiabatic behavior, even for relatively weak laser excitation of the adsorbate. We attributemore » the coverage dependence to both an increase in the adsorbate electronic density of states and an increasingly anharmonic potential energy surface caused by repulsive interactions between neighboring CO adsorbates. This work thus reveals adsorbate-adsorbate interactions as a new way to control adsorbate non-adiabaticity.« less

Evaluation and attribution of vegetation contribution to seasonal climate predictability

NASA Astrophysics Data System (ADS)

Catalano, Franco; Alessandri, Andrea; De Felice, Matteo

2015-04-01

The land surface model of EC-Earth has been modified to include dependence of vegetation densities on the Leaf Area Index (LAI), based on the Lambert-Beer formulation. Effective vegetation fractional coverage can now vary at seasonal and interannual time-scales and therefore affect biophysical parameters such as the surface roughness, albedo and soil field capacity. The modified model is used to perform a real predictability seasonal hindcast experiment. LAI is prescribed using a recent observational dataset based on the third generation GIMMS and MODIS satellite data. Hindcast setup is: 7 months forecast length, 2 start dates (1st May and 1st November), 10 members, 28 years (1982-2009). The effect of the realistic LAI prescribed from observation is evaluated with respect to a control experiment where LAI does not vary. Hindcast results demonstrate that a realistic representation of vegetation significantly improves the forecasts of temperature and precipitation. The sensitivity is particularly large for temperature during boreal winter over central North America and Central Asia. This may be attributed in particular to the effect of the high vegetation component on the snow cover. Summer forecasts are improved in particular for precipitation over Europe, Sahel, North America, West Russia and Nordeste. Correlation improvements depends on the links between targets (temperature and precipitation) and drivers (surface heat fluxes, albedo, soil moisture, evapotranspiration, moisture divergence) which varies from region to region.

An Assessment of SeaWiFS and MODIS Ocean Coverage

NASA Technical Reports Server (NTRS)

Woodward, Robert H.; Gregg, Watson W.

1998-01-01

Ocean coverages of SeaWiFS and MODIS were assessed for three seasons by considering monthly mean values of surface winds speeds and cloud cover. Mean and maximum coverages combined SeaWiFS and MODIS by considering combined coverages for ten-degree increments of the MODIS orbital mean anomaly. From this analysis the mean and maximum combined coverages for SeaWiFS and MODIS were determined for one and four-day periods for spring, summer, and winter seasons. Loss of coverage due to Sun glint and cloud cover were identified for both the individual and combined cases. Our analyses indicate that MODIS will enhance ocean coverage for all three seasons examined. ne combined SeaWiFS/MODIS show an increase of coverage of 42.2% to 48.7% over SeaWiFS alone for the three seasons studied; the increase in maximum one day coverage ranges from 47.5% to 52.0%. The increase in four-day coverage for the combined case ranged from 31.0% to 35.8% for mean coverage and 33.1 % to 39.2% for maximum coverage. We computed meridional distributions of coverages by binning the data into five-degree latitude bands. Our analysis shows a strong seasonal dependence of coverage. In general the meridional analysis indicates that increase in coverages for SeaWiFS/MODIS over SeaWiFS alone are greatest near the solar declination.

pH-Responsive Mercaptoundecanoic Acid Functionalized Gold Nanoparticles and Applications in Catalysis

PubMed Central

Ansar, Siyam M.; Chakraborty, Saptarshi

2018-01-01

Mercaptoundecanoic acid (MUA) functionalized gold nanoparticles (AuNP-MUA) were synthesized and demonstrated to possess pH-triggered aggregation and re-dispersion, as well as the capability of phase transfer between aqueous and organic phases in response to changes in pH. The pH of aggregation for AuNP-MUA is consistent with the pKa of MUA (pH ~4) in solution, while AuNP-MUA phase transition between aqueous and organic phases occurs at pH ~9. The ion pair formation between the amine group in octadecylamine (ODA), the carboxylate group in MUA, and the hydrophobic alkyl chain of ODA facilitates the phase transfer of AuNP-MUA into an organic medium. The AuNP-MUA were investigated as a reusable catalyst in the catalytic reduction of 4-nitrophenol by borohydride—a model reaction for AuNPs. It was determined that 100% MUA surface coverage completely inhibits the catalytic activity of AuNPs. Decreasing the surface coverage was shown to increase catalytic activity, but this decrease also leads to decreased colloidal stability, recoverability, and reusability in subsequent reactions. At 60% MUA surface coverage, colloidal stability and catalytic activity were achieved, but the surface coverage was insufficient to enable redispersion following pH-induced recovery. A balance between AuNP colloidal stability, recoverability, and catalytic activity with reusability was achieved at 90% MUA surface coverage. The AuNP-MUA catalyst can also be recovered at different pH ranges depending on the recovery method employed. At pH ~4, protonation of the MUA results in reduced surface charge and aggregation. At pH ~9, ODA will form an ion-pair with the MUA and induce phase transfer into an immiscible organic phase. Both the pH-triggered aggregation/re-dispersion and aqueous/organic phase transfer methods were employed for catalyst recovery and reuse in subsequent reactions. The ability to recover and reuse the AuNP-MUA catalyst by two different methods and different pH regimes is significant, based on the fact that nanoparticle-catalyzed reactions may occur under different pH conditions. PMID:29772775

The Global Precipitation Climatology Project: First Algorithm Intercomparison Project

NASA Technical Reports Server (NTRS)

Arkin, Phillip A.; Xie, Pingping

1994-01-01

The Global Precipitation Climatology Project (GPCP) was established by the World Climate Research Program to produce global analyses of the area- and time-averaged precipitation for use in climate research. To achieve the required spatial coverage, the GPCP uses simple rainfall estimates derived from IR and microwave satellite observations. In this paper, we describe the GPCP and its first Algorithm Intercomparison Project (AIP/1), which compared a variety of rainfall estimates derived from Geostationary Meteorological Satellite visible and IR observations and Special Sensor Microwave/Imager (SSM/I) microwave observations with rainfall derived from a combination of radar and raingage data over the Japanese islands and the adjacent ocean regions during the June and mid-July through mid-August periods of 1989. To investigate potential improvements in the use of satellite IR data for the estimation of large-scale rainfall for the GPCP, the relationship between rainfall and the fractional coverage of cold clouds in the AIP/1 dataset is examined. Linear regressions between fractional coverage and rainfall are analyzed for a number of latitude-longitude areas and for a range of averaging times. The results show distinct differences in the character of the relationship for different portions of the area. These results suggest that the simple IR-based estimation technique currently used in the GPCP can be used to estimate rainfall for global tropical and subtropical areas, provided that a method for adjusting the proportional coefficient for varying areas and seasons can be determined.

Outcomes for Spine Stereotactic Body Radiation Therapy and an Analysis of Predictors of Local Recurrence

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

Bishop, Andrew J.; Tao, Randa; Rebueno, Neal C.

Purpose: To investigate local control, survival outcomes, and predictors of local relapse for patients treated with spine stereotactic body radiation therapy. Methods and Materials: We reviewed the records of 332 spinal metastases consecutively treated with stereotactic body radiation therapy between 2002 and 2012. The median follow-up for all living patients was 33 months (range, 0-111 months). Endpoints were overall survival and local control (LC); recurrences were classified as either in-field or marginal. Results: The 1-year actuarial LC and overall survival rates were 88% and 64%, respectively. Patients with local relapses had poorer dosimetric coverage of the gross tumor volume (GTV) compared withmore » patients without recurrence (minimum dose [Dmin] biologically equivalent dose [BED] 23.9 vs 35.1 Gy, P<.001; D98 BED 41.8 vs 48.1 Gy, P=.001; D95 BED 47.2 vs 50.5 Gy, P=.004). Furthermore, patients with marginal recurrences had poorer prescription coverage of the GTV (86% vs 93%, P=.01) compared with those with in-field recurrences, potentially because of more upfront spinal canal disease (78% vs 24%, P=.001). Using a Cox regression univariate analysis, patients with a GTV BED Dmin ≥33.4 Gy (median dose) (equivalent to 14 Gy in 1 fraction) had a significantly higher 1-year LC rate (94% vs 80%, P=.001) compared with patients with a lower GTV BED Dmin; this factor was the only significant variable on multivariate Cox analysis associated with LC (P=.001, hazard ratio 0.29, 95% confidence interval 0.14-0.60) and also was the only variable significant in a separate competing risk multivariate model (P=.001, hazard ratio 0.30, 95% confidence interval 0.15-0.62). Conclusions: Stereotactic body radiation therapy offers durable control for spinal metastases, but there is a subset of patients that recur locally. Patients with local relapse had significantly poorer tumor coverage, which was likely attributable to treatment planning directives that prioritized the spinal cord constraints over tumor coverage. When possible, we recommend maintaining a GTV Dmin above 14 Gy in 1 fraction and 21 Gy in 3 fractions.« less

Generalized scaling relationships on transition metals: Influence of adsorbate-coadsorbate interactions

NASA Astrophysics Data System (ADS)

Majumdar, Paulami; Greeley, Jeffrey

2018-04-01

Linear scaling relations of adsorbate energies across a range of catalytic surfaces have emerged as a central interpretive paradigm in heterogeneous catalysis. They are, however, typically developed for low adsorbate coverages which are not always representative of realistic heterogeneous catalytic environments. Herein, we present generalized linear scaling relations on transition metals that explicitly consider adsorbate-coadsorbate interactions at variable coverages. The slopes of these scaling relations do not follow the simple bond counting principles that govern scaling on transition metals at lower coverages. The deviations from bond counting are explained using a pairwise interaction model wherein the interaction parameter determines the slope of the scaling relationship on a given metal at variable coadsorbate coverages, and the slope across different metals at fixed coadsorbate coverage is approximated by adding a coverage-dependent correction to the standard bond counting contribution. The analysis provides a compact explanation for coverage-dependent deviations from bond counting in scaling relationships and suggests a useful strategy for incorporation of coverage effects into catalytic trends studies.

Tunneling electron induced chemisorption of copper phthalocyanine molecules on the Cu(111) surface

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

Stock, T.; Nogami, J.

2014-02-17

The adsorption of up to one monolayer (ML) of copper phthalocyanine (CuPc) molecules on a room temperature Cu(111) surface has been studied using scanning tunneling microscopy (STM). Below 1 ML the molecules are in a fluid state and are highly mobile on the surface. At 1 ML coverage the molecules coalesce into a highly ordered 2D crystal phase. At sub-ML coverages, chemisorption of individual CuPc molecules can be induced through exposure to tunneling electrons at a tunneling bias voltage exceeding a threshold value. This tunneling electron induced effect has been exploited to perform molecular STM lithography.

Analysis and simulation of wireless signal propagation applying geostatistical interpolation techniques

NASA Astrophysics Data System (ADS)

Kolyaie, S.; Yaghooti, M.; Majidi, G.

2011-12-01

This paper is a part of an ongoing research to examine the capability of geostatistical analysis for mobile networks coverage prediction, simulation and tuning. Mobile network coverage predictions are used to find network coverage gaps and areas with poor serviceability. They are essential data for engineering and management in order to make better decision regarding rollout, planning and optimisation of mobile networks.The objective of this research is to evaluate different interpolation techniques in coverage prediction. In method presented here, raw data collected from drive testing a sample of roads in study area is analysed and various continuous surfaces are created using different interpolation methods. Two general interpolation methods are used in this paper with different variables; first, Inverse Distance Weighting (IDW) with various powers and number of neighbours and second, ordinary kriging with Gaussian, spherical, circular and exponential semivariogram models with different number of neighbours. For the result comparison, we have used check points coming from the same drive test data. Prediction values for check points are extracted from each surface and the differences with actual value are computed. The output of this research helps finding an optimised and accurate model for coverage prediction.

Land and federal mineral ownership coverage for the Uinta Basin, Wasatch Plateau and surrounding areas, northeastern Utah

USGS Publications Warehouse

Biewick, L.H.; Green, G.A.

1999-01-01

This Arc/Info coverage contains land status and Federal and State mineral ownership for approximately 25,900 square miles in northeastern Utah. The polygon coverage (which is also provided here as a shapefile) contains three attributes of ownership information for each polygon. One attribute indicates whether the surface is State owned, privately owned, consists of Tribal and Indian lands, or, if Federally owned, which Federal agency manages the land surface. Another attribute indicates where the Utah School and Institutional Trust Lands Administration (SITLA) maintains full or partial subsurface mineral rights. The third attribute indicates which energy minerals, if any, are owned by the Federal govenment. This coverage is based on land management status and Federal and State mineral ownership data compiled by the U.S. Geological Survey (USGS), the former U.S. Bureau of Mines (USBM), and the Utah School and Institutional Trust Lands Administration at a scale of 1:100,000. This coverage was compiled primarily to serve the USGS National Oil and Gas Resource Assessment Project in the Uinta-Piceance Basin Province and the USGS National Coal Resource Assessment Project in the Colorado Plateau.

Annual Cycles of Multiyear Sea Ice Coverage of the Arctic Ocean: 1999-2003

NASA Technical Reports Server (NTRS)

Kwok, R.

2004-01-01

For the years 1999-2003, we estimate the time-varying perennial ice zone (PIZ) coverage and construct the annual cycles of multiyear (MY, including second year) ice coverage of the Arctic Ocean using QuikSCAT backscatter, MY fractions from RADARSAT, and the record of ice export from satellite passive microwave observations. An area balance approach extends the winter MY coverage from QuikSCAT to the remainder of the year. From these estimates, the coverage of MY ice at the beginning of each year is 3774 x 10(exp 3) sq km (2000), 3896 x 10(exp 3) sq km (2001), 4475 x 10(exp 3) sq km (2002), and 4122 x 10(exp 3) sq km (2003). Uncertainties in coverage are approx.150 x 10(exp 3) sq km. In the mean, on 1 January, MY ice covers approx.60% of the Arctic Ocean. Ice export reduces this coverage to approx.55% by 1 May. From the multiple annual cycles, the area of first-year (FY) ice that survives the intervening summers are 1192 x 10(exp 3) sq km (2000), 1509 x 10(exp 3) sq km (2001), and 582 x 10(exp 3) sq km (2002). In order for the MY coverage to remain constant from year to year, these replenishment areas must balance the overall area export and melt during the summer. The effect of the record minimum in Arctic sea ice area during the summer of 2002 is seen in the lowest area of surviving FY ice of the three summers. In addition to the spatial coverage, the location of the PIZ is important. One consequence of the unusual location of the PIZ at the end of the summer of 2002 is the preconditioning for enhanced export of MY ice into the Barents and Kara seas. Differences between the minimums in summer sea ice coverage from our estimates and passive microwave observations are discussed.

Influence of cloud fraction and snow cover to the variation of surface UV radiation at King Sejong station, Antarctica

NASA Astrophysics Data System (ADS)

Lee, Yun Gon; Koo, Ja-Ho; Kim, Jhoon

2015-10-01

This study investigated how cloud fraction and snow cover affect the variation of surface ultraviolet (UV) radiation by using surface Erythemal UV (EUV) and Near UV (NUV) observed at the King Sejong Station, Antarctica. First the Radiative Amplification Factor (RAF), the relative change of surface EUV according to the total-column ozone amount, is compared for different cloud fractions and solar zenith angles (SZAs). Generally, all cloudy conditions show that the increase of RAF as SZA becomes larger, showing the larger effects of vertical columnar ozone. For given SZA cases, the EUV transmission through mean cloud layer gradually decreases as cloud fraction increases, but sometimes the maximum of surface EUV appears under partly cloudy conditions. The high surface EUV transmittance under broken cloud conditions seems due to the re-radiation of scattered EUV by cloud particles. NUV transmission through mean cloud layer also decreases as cloud amount increases but the sensitivity to the cloud fraction is larger than EUV. Both EUV and NUV radiations at the surface are also enhanced by the snow cover, and their enhancement becomes higher as SZA increases implying the diurnal variation of surface albedo. This effect of snow cover seems large under the overcast sky because of the stronger interaction between snow surface and cloudy sky.

Spatial-temporal Evolution of Vegetation Coverage and Analysis of it’s Future Trends in Wujiang River Basin

NASA Astrophysics Data System (ADS)

Xiao, Jianyong; Bai, Xiaoyong; Zhou, Dequan; Qian, Qinghuan; Zeng, Cheng; Chen, Fei

2018-01-01

Vegetation coverage dynamics is affected by climatic, topography and human activities, which is an important indicator reflecting the regional ecological environment. Revealing the spatial-temporal characteristics of vegetation coverage is of great significance to the protection and management of ecological environment. Based on MODIS NDVI data and the Maximum Value Composites (MVC), we excluded soil spectrum interference to calculate Fractional Vegetation Coverage (FVC). Then the long-term FVC was used to calculate the spatial pattern and temporal variation of vegetation in Wujiang River Basin from 2000 to 2016 by using Trend analysis and Hurst index. The relationship between topography and spatial distribution of FVC was analyzed. The main conclusions are as follows: (1) The multi-annual mean vegetation coverage reveals a spatial distribution variation characteristic of low value in midstream and high level in other parts of the basin, owing a mean value of 0.6567. (2) From 2000 to 2016, the FVC of the Wujiang River Basin fluctuated between 0.6110 and 0.7380, and the overall growth rate of FVC was 0.0074/a. (3) The area of vegetation coverage tending to improve is more than that going to degrade in the future. Grass land, Arable land and Others improved significantly; karst rocky desertification comprehensive management project lead to persistent vegetation coverage improvement of Grass land, Arable land and Others. Residential land is covered with obviously degraded vegetation, resulting of urban sprawl; (4) The spatial distribution of FVC is positively correlated with TNI. Researches of spatial-temporal evolution of vegetation coverage have significant meaning for the ecological environment protection and management of the Wujiang River Basin.

Specific surface area of a crushed welded tuff before and after aqueous dissolution

USGS Publications Warehouse

Reddy, M.M.; Claassen, H.C.

1994-01-01

Specific surface areas were measured for several reference minerals (anorthoclase, labradorite and augite), welded tuff and stream sediments from Snowshoe Mountain, near Creede, Colorado. Crushed and sieved tuff had an unexpectedly small variation in specific surface area over a range of size fractions. Replicate surface area measurements of the largest and smallest tuff particle size fractions examined (1-0.3 mm and <0.212 mm) were 2.3 ?? 0.2 m2/g for each size fraction. Reference minerals prepared in the same way as the tuff had smaller specific surface areas than that of the tuff of the same size fraction. Higher than expected tuff specific surface areas appear to be due to porous matrix. Tuff, reacted in solutions with pH values from 2 to 6, had little change in specific surface area in comparison with unreacted tuff. Tuff, reacted with solutions having high acid concentrations (0.1 M hydrochloric acid or sulfuric-hydrofluoric acid), exhibited a marked increase in specific surface area compared to unreacted tuff. ?? 1994.

Influence of Polymers on the Crystal Growth Rate of Felodipine: Correlating Adsorbed Polymer Surface Coverage to Solution Crystal Growth Inhibition.

PubMed

Schram, Caitlin J; Taylor, Lynne S; Beaudoin, Stephen P

2015-10-20

The bioavailability of orally administered drugs that exhibit poor aqueous solubility can be enhanced with the use of supersaturating dosage forms. Stabilization of these forms by preventing or inhibiting crystallization in solution is an important area of study. Polymers can be used to stabilize supersaturated systems; however, the properties that impact their effectiveness as crystal growth rate inhibitors are not yet fully understood. In this study, the impact of various polymers on the crystal growth rate of felodipine and the conformation of these polymers adsorbed to crystalline felodipine was investigated in order to gain a mechanistic understanding of crystal growth inhibition. It was determined that polymer hydrophobicity impacted polymer adsorption as well as adsorbed polymer conformation. Polymer conformation impacts its surface coverage, which was shown to directly correlate to the polymer's effectiveness as a growth rate inhibitor. By modeling this correlation, it is possible to predict polymer effectiveness given the surface coverage of the polymer.

Influence of the pH value of a colloidal gold solution on the absorption spectra of an LSPR-assisted sensor

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

Zhu, Jin; Li, Wenbin; Zhu, Mao

2014-03-15

The localized surface plasmon resonances (LSPRs) of gold particles assembled on a crystal plate are a powerful tool for biological sensors. Here, we prepare gold colloids in different pH solutions. We monitor the effects of the particle radius and particle coverage on the absorption spectra of AT-cut (r-face dihedral angle of about 3°) crystal plates supporting gold nanoparticles. The surface morphologies were monitored on silicon dioxide substrates using ultraviolet and visible (UV-vis) spectroscopy, and atomic force microscopy (AFM). The results showed that the gold particle coverage decreases with increasing pH value of the gold colloid solution. This phenomenon demonstrates thatmore » self-assembled gold surfaces were formed via the electrostatic adsorption of gold particles on the positively charged, ionized amino groups on the crystal plates in the acidic solution. The spectrum of gold nanoparticles with different coverage degree on the crystal plates showed that the LSPR properties are highly dependent on pH.« less

A stop-restart solid propellant study with salt quench

NASA Technical Reports Server (NTRS)

Kumar, R. N.

1976-01-01

Experiments were conducted to gain insight into the unsatisfactory performance of the salt quench system of solid propellants in earlier studies. Nine open-air salt spray tests were conducted and high-speed cinematographic coverage was obtained of the events. It is shown that the salt spray by the detonator is generally a two-step process yielding two different fractions. The first fraction consists of finely powdered salt and moves practically unidirectionally at a high velocity (thousand of feet per second) while the second fraction consists of coarse particles and moves randomly at a low velocity (a few feet per second). Further investigation is required to verify the speculation that a lower quench charge ratio (weight of salt/propellant burning area) than previously employed may lead to an efficient quench

Exploring the Margin Recipe for Online Adaptive Radiation Therapy for Intermediate-Risk Prostate Cancer: An Intrafractional Seminal Vesicles Motion Analysis

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

Sheng, Yang, E-mail: Yang.Sheng@duke.edu; Medical Physics Graduate Program, Duke University, Durham, North Carolina; Li, Taoran

Purpose: To provide a benchmark for seminal vesicle (SV) margin selection to account for intrafractional motion and to investigate the effectiveness of 2 motion surrogates in predicting intrafractional SV coverage. Methods and Materials: Fifteen prostate patients were studied. Each patient had 5 pairs (1 patient had 4 pairs) of pretreatment and posttreatment cone beam CTs (CBCTs). Each pair of CBCTs was registered on the basis of prostate fiducial markers. All pretreatment SVs were expanded with 1-, 2-, 3-, 4-, 5-, and 8-mm isotropic margins to form a series of planning target volumes, and their intrafractional coverage to the posttreatment SVmore » determined the “ground truth” for exact coverage. Two motion surrogates, the center of mass (COM) and the border of contour, were evaluated by the use of Pearson product-moment correlation coefficient and exponential fitting for predicting SV underdosage. Action threshold of each surrogate was calculated. The margin for each surrogate was calculated according to a traditional margin recipe. Results: Ninety-five percent posttreatment SV coverage was achieved in 9%, 53%, 73%, 86%, 95%, and 97% of fractions with 1-, 2-, 3-, 4-, 5-, and 8-mm margins, respectively. The 5-mm margins provided 95% intrafractional SV coverage in over 90% of fractions. The correlation between the COM and border was weak, moderate, and strong in the left-right (L-R), anterior-posterior (A-P), and superior-inferior (S-I) directions, respectively. Exponential fitting gave the underdosage threshold of 4.5 and 7.0 mm for the COM and border. The Van Herk margin recipe recommended 0-, 0.5-, and 0.8-mm margins in the L-R, A-P, and S-I directions based on the COM, and 1.2-, 3.9-, and 2.5-mm margins based on the border. Conclusions: Five-millimeter isotropic margins for the SV constitute the minimum required to mitigate the intrafractional motion. Both the COM and the border are acceptable predictors for SV underdosage with 4.5- and 7.0-mm action threshold. Traditional margin based on the COM or border underestimates the margin.« less

Ab Initio Surface Phase Diagrams for Coadsorption of Aromatics and Hydrogen on the Pt(111) Surface

DOE PAGES

Ferguson, Glen Allen; Vorotnikov, Vassili; Wunder, Nicholas; ...

2016-11-02

Supported metal catalysts are commonly used for the hydrogenation and deoxygenation of biomass-derived aromatic compounds in catalytic fast pyrolysis. To date, the substrate-adsorbate interactions under reaction conditions crucial to these processes remain poorly understood, yet understanding this is critical to constructing detailed mechanistic models of the reactions important to catalytic fast pyrolysis. Density functional theory (DFT) has been used in identifying mechanistic details, but many of these works assume surface models that are not representative of realistic conditions, for example, under which the surface is covered with some concentration of hydrogen and aromatic compounds. In this study, we investigate hydrogen-guaiacolmore » coadsorption on Pt(111) using van der Waals-corrected DFT and ab initio thermodynamics over a range of temperatures and pressures relevant to bio-oil upgrading. We find that relative coverage of hydrogen and guaiacol is strongly dependent on the temperature and pressure of the system. Under conditions relevant to ex situ catalytic fast pyrolysis (CFP; 620-730 K, 1-10 bar), guaiacol and hydrogen chemisorb to the surface with a submonolayer hydrogen (~0.44 ML H), while under conditions relevant to hydrotreating (470-580 K, 10-200 bar), the surface exhibits a full-monolayer hydrogen coverage with guaiacol physisorbed to the surface. These results correlate with experimentally observed selectivities, which show ring saturation to methoxycyclohexanol at hydrotreating conditions and deoxygenation to phenol at CFP-relevant conditions. Additionally, the vibrational energy of the adsorbates on the surface significantly contributes to surface energy at higher coverage. Ignoring this contribution results in not only quantitatively, but also qualitatively incorrect interpretation of coadsorption, shifting the phase boundaries by more than 200 K and ~10-20 bar and predicting no guaiacol adsorption under CFP and hydrotreating conditions. We discuss the implications of this work in the context of modeling hydrogenation and deoxygenation reactions on Pt(111), and we find that only the models representative of equilibrium surface coverage can capture the hydrogenation kinetics correctly. Lastly, as a major outcome of this work, we introduce a freely available web-based tool, dubbed the Surface Phase Explorer (SPE), which allows researchers to conveniently determine surface composition for any one- or two-component system at thermodynamic equilibrium over a wide range of temperatures and pressures on any crystalline surface using standard DFT output.« less

Electrochemical properties of seamless three-dimensional carbon nanotubes-grown graphene modified with horseradish peroxidase.

PubMed

Komori, Kikuo; Terse-Thakoor, Trupti; Mulchandani, Ashok

2016-10-01

Horseradish peroxidase (HRP) was immobilized through sodium dodecyl sulfate (SDS) on the surface of a seamless three-dimensional hybrid of carbon nanotubes grown at the graphene surface (HRP-SDS/CNTs/G) and its electrochemical properties were investigated. Compared with graphene alone electrode modified with HRP via SDS (HRP-SDS/G electrode), the surface coverage of electroactive HRP at the CNTs/G electrode surface was approximately 2-fold greater because of CNTs grown at the graphene surface. Based on the increase in the surface coverage of electroactive HRP, the sensitivity to H2O2 at the HRP-SDS/CNTs/G electrode was higher than that at the HRP-SDS/G electrode. The kinetics of the direct electron transfer from the CNTs/G electrode to compound I and II of modified HRP was also analyzed. Copyright © 2016 Elsevier B.V. All rights reserved.

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

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

Zhou Li; Zheng Weijun; Kaiser, Ralf I.

2010-08-01

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

In situ spectroscopy of ligand exchange reactions at the surface of colloidal gold and silver nanoparticles

NASA Astrophysics Data System (ADS)

Dinkel, Rebecca; Peukert, Wolfgang; Braunschweig, Björn

2017-04-01

Gold and silver nanoparticles with their tunable optical and electronic properties are of great interest for a wide range of applications. Often the ligands at the surface of the nanoparticles have to be exchanged in a second step after particle formation in order to obtain a desired surface functionalization. For many techniques, this process is not accessible in situ. In this review, we present second-harmonic scattering (SHS) as an inherently surface sensitive and label-free optical technique to probe the ligand exchange at the surface of colloidal gold and silver nanoparticles in situ and in real time. First, a brief introduction to SHS and basic features of the SHS of nanoparticles are given. After that, we demonstrate how the SHS intensity decrease can be correlated to the thiol coverage which allows for the determination of the Gibbs free energy of adsorption and the surface coverage.

H2O Adsorption on Smectites: Application to the Diurnal Variation of H2O in the Martian Atmosphere

NASA Technical Reports Server (NTRS)

Zent, Aaron P.; Howard, J.; Quinn, R. C.

2000-01-01

Observations of the Martian planetary boundary layer lead to interpretations that are baffling and contradictory. In this paper, we specifically address the question of whether or not water vapor finds a substantial diurnal reservoir in the Martian regolith. To address this issue, we have measured H2O adsorption kinetics on SWy-1, a Na-rich montmorillonite from Wyoming. The highest-temperature (273 K) data equilibrates rapidly. Data gathered at realistic H2O partial pressures and temperatures appropriate to early morning show two phenomena that preclude a significant role for smectites in diurnally exchanging a large column abundance. First, the equilibration timescale is longer than a sol. Second, the equilibrium abundances are a small fraction of that predicted by earlier adsorption isotherms. The explanation for this phenomenon is that smectite clay actually increases its surface area as a function of adsorptive coverage. At Mars-like conditions, we show that the interlayer sites of smectites are likely to be unavailable.

The SPoRT-WRF: Evaluating the Impact of NASA Datasets on Convective Forecasts

NASA Technical Reports Server (NTRS)

Zavodsky, Bradley; Kozlowski, Danielle; Case, Jonathan; Molthan, Andrew

2012-01-01

Short-term Prediction Research and Transition (SPoRT) seeks to improve short-term, regional weather forecasts using unique NASA products and capabilities SPoRT has developed a unique, real-time configuration of the NASA Unified Weather Research and Forecasting (WRF)WRF (ARW) that integrates all SPoRT modeling research data: (1) 2-km SPoRT Sea Surface Temperature (SST) Composite, (2) 3-km LIS with 1-km Greenness Vegetation Fraction (GVFs) (3) 45-km AIRS retrieved profiles. Transitioned this real-time forecast to NOAA's Hazardous Weather Testbed (HWT) as deterministic model at Experimental Forecast Program (EFP). Feedback from forecasters/participants and internal evaluation of SPoRT-WRF shows a cool, dry bias that appears to suppress convection likely related to methodology for assimilation of AIRS profiles Version 2 of the SPoRT-WRF will premier at the 2012 EFP and include NASA physics, cycling data assimilation methodology, better coverage of precipitation forcing, and new GVFs

The seasonal cycle of low stratiform clouds

NASA Technical Reports Server (NTRS)

Klein, Stephen A.; Hartmann, Dennis L.

1993-01-01

The seasonal cycle of low stratiform clouds is studied using data from surface-based cloud climatologies. The impact of low clouds on the radiation budget is illustrated by comparison of data from the Earth Radiation Budget Experiment with the cloud climatologies. Ten regions of active stratocumulus convection are identified. These regions fall into four categories: subtropical marine, midlatitude marine, Arctic stratus, and Chinese stratus. With the exception of the Chinese region, all the regions with high amounts of stratus clouds are over the oceans. In all regions except the Arctic, the season of maximum stratus corresponds to the season of greatest lower-troposphere static stability. Interannual variations in stratus cloud amount also are related to changes in static stability. A linear analysis indicates that a 6 percent increase in stratus fractional area coverage is associated with each 1 C increase in static stability. Over midlatitude oceans, sky-obscuring fog is a large component of the summertime stratus amount. The amount of fog appears to be related to warm advection across sharp gradients of SST.

The Seasonal Cycle of Low Stratiform Clouds.

NASA Astrophysics Data System (ADS)

Klein, Stephen A.; Hartmann, Dennis L.

1993-08-01

The seasonal cycle of low stratiform clouds is studied using data from surface-based cloud climatologies. The impact of low clouds on the radiation budget is illustrated by comparison of data from the Earth Radiation Budget Experiment with the cloud climatologies. Ten regions of active stratocumulus convection are identified. These regions fall into four categories: subtropical marine, midlatitude marine, Arctic stratus, and Chinese stratus. With the exception of the Chinese region, all the regions with high amounts of stratus clouds are over the oceans.In all regions except the Arctic, the season of maximum stratus corresponds to the season of greatest lower-troposphere static stability. Interannual variations in stratus cloud amount also are related to changes in static stability. A linear analysis indicates that a 6% increase in stratus fractional area coverage is associated with each 1°C increase in static stability. Over midlatitude oceans, sky-obscuring fog is a large component of the summertime stratus amount. The amount of fog appears to be related to warm advection across sharp gradients of SST.

What You Need to Know About the OMI NO2 Data Product for Air Quality Studies

NASA Technical Reports Server (NTRS)

Celarier, E. A.; Gleason, J. F.; Bucsela, E. J.; Brinksma, E.; Veefkind, J. P.

2007-01-01

The standard nitrogen dioxide (NO2) data product, produced from measurements by the Ozone Monitoring Instrument (OMI), are publicly available online from the NASA GESDISC facility. Important data fields include total and tropospheric column densities, as well as collocated data for cloud fraction and cloud top height, surface albedo and snow/ice coverage, at the resolution of the OMI instrument (12 km x 26 km, at nadir). The retrieved NO2 data have been validated, principally under clear-sky conditions. The first public-release version has been available since September 2006. An improved version of the data product, which includes a number of new data fields, and improved estimates of the retrieval uncertainties will be released by the end of 2007. This talk will describe the standard NO2 data product, including details that are essential for the use of the data for air quality studies. We will also describe the principal improvements with the new version of the data product.

Understanding Practical Catalysts Using a Surface Science Approach. The Importance of Strong Interaction between BaO and Al 2O 3 in NO x Storage Materials

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

Yi, Cheol-Woo W.; Kwak, Ja Hun; Peden, Charles H.F.

2007-09-21

Modern surface science techniques have been commonly applied to understand issues arising from practical catalytic systems.[1-4] However, the applicability of most of the results obtained from model systems has been limited, due, primarily, to the vastly different conditions studies on model and practical systems are carried out (catalyst composition, reaction conditions etc.).[5, 6] Therefore, the need to conduct experiments on compositionally similar systems (model and practical) is necessary to obtain valuable information on the workings of real catalysts. In this communication we demonstrate the utility of surface science studies on model catalysts in understanding the properties of high surface area,more » BaO-based NO x storage-reduction (NSR) catalysts.[7] We present evidence for the facile formation of surface barium aluminate-like species even at very low coverages of BaO. This Ba-aluminate layer, however, can react with NO 2 resulting in the formation of a bulk-like Ba(NO 3) 2 phase. In order to construct model catalysts that are representative of the practical NO x storage systems, we first needed to estimate the BaO covareges on the high surface area catalysts. Since the publication of the work by Fanson et al.[8], BaO loadings of 8 – 10 wt.% on a γ-alumina support (200 m 2/g) have been regarded as corresponding to one monolayer (ML) coverage, based on the unit cell size of bulk BaO. The coverage equivalent of one ML, however, was significantly underestimated. Assuming complete spreading of the BaO layer and using a Ba–O distance of ~ 2.77 Å (one unit of BaO occupies 1.53 × 10 -19 m 2), 10 wt.% loading of BaO would cover only about 1/3 of the alumina surface. Table 1 shows our calculated estimates of two-dimensional BaO coverages as a function of loading on a -Al 2O 3 surface (200 m 2/g) based on the lattice parameters of bulk BaO[9] (5.54 Å). Based on these values, for our model system studies we prepared BaO/Al 2O 3/NiAl(110) materials in which the BaO coverages were very close to those of 4, 8, and 20 wt.% BaO/γ-Al 2O 3 high surface area catalysts used in prior studies.« less

Enhanced Ge/Si(001) island areal density and self-organization due to P predeposition

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

Cho, B.; Bareno, J.; Petrov, I.

The predeposition of P, with coverages {theta}{sub P} ranging from 0 to 1 ML, on Si(001) significantly increases both the areal density and spatial self-organization of Ge islands grown by gas-source molecular beam epitaxy from hydride precursors. The Ge island density {rho}{sub Ge} initially increases with {theta}{sub P}, reaching a maximum of 1.4 x 10{sup 10} cm{sup -2} at {theta}{sub P} = 0.7 ML, a factor of four times higher than on bare Si(001) under the same deposition conditions, before decreasing at higher P coverages. The increase in {rho}{sub Ge}({theta}{sub P}) is due to a corresponding decrease in Ge adatommore » mean free paths resulting from passivation of surface dangling bonds by adsorbed pentavalent P atoms which, in addition, leads to surface roughening and, therefore, higher Ge coverages at constant Ge{sub 2}H{sub 6} dose. As {theta}{sub P} (and hence, {rho}{sub Ge}) increases, so does the degree of Ge island ordering along <100> directions due to the anisotropic strain field surrounding individual islands. Similar results are obtained for Ge island growth on P-doped Si(001) layers where strong P surface segregation provides partial monolayer coverage prior to Ge deposition.« less

The effect of sputter temperature on vacancy island behavior on Ni(111) measured by photoemission of adsorbed xenon

NASA Astrophysics Data System (ADS)

Malafsky, Geoffrey P.

1994-04-01

The temperature dependence of vacancy coalescence on an ion bombarded Ni(111) surface is measured by photoemission of adsorbed xenon (PAX). The Ni(111) crystal is sputtered by a low fluence (0.06 ML incident ions) Ar + ion beam with incident kinetic energies of 500-3000 eV. The Xe coverage decreases rapidly with increasing temperature between 88 and 375 K with little additional change from 375 to 775 K. The PAX spectra are acquired with a Xe chamber pressure of 8 × 10 -10 Torr and at a temperature of 88 K. Under these conditions, the Xe is selectively adsorbed at defect sites which would make the Xe coverage proportional to the surface defect density on simple defect structures but the large size of the Xe atom relative to the Ni atom prevents the direct relationship of Xe coverage to the defect density when complex and varying defect structures are present. The decrease in Xe coverage is not attributed to the loss of defect sites by adatom-vacancy recombination but the changing vacancy island shape and size with temperature which alters the ratio of adsorbed Xe atoms to surface vacancy sites. This ratio decreases with increasing temperature as the vacancy islands progress from small and irregularly shaped islands to larger and hexagonally shaped islands. This transition is seen in Monte Carlo simulations of the kinetically driven atomic diffusion on the sputtered surface.

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

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

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

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

Go Huygens!

NASA Image and Video Library

2005-01-11

This map illustrates the planned imaging coverage for the Descent Imager/Spectral Radiometer, onboard the European Space Agency's Huygens probe during the probe's descent toward Titan's surface on Jan. 14, 2005. The Descent Imager/Spectral Radiometer is one of two NASA instruments on the probe. The colored lines delineate regions that will be imaged at different resolutions as the probe descends. On each map, the site where Huygens is predicted to land is marked with a yellow dot. This area is in a boundary between dark and bright regions. This map was made from the images taken by the Cassini spacecraft cameras on Oct. 26, 2004, at image scales of 4 to 6 kilometers (2.5 to 3.7 miles) per pixel. The images were obtained using a narrow band filter centered at 938 nanometers -- a near-infrared wavelength (invisible to the human eye) at which light can penetrate Titan's atmosphere to reach the surface and return through the atmosphere to be detected by the camera. The images have been processed to enhance surface details. Only brightness variations on Titan's surface are seen; the illumination is such that there is no shading due to topographic variations. For about two hours, the probe will fall by parachute from an altitude of 160 kilometers (99 miles) to Titan's surface. During the descent the camera on the probe and five other science instruments will send data about the moon's atmosphere and surface back to the Cassini spacecraft for relay to Earth. The Descent Imager/Spectral Radiometer will take pictures as the probe slowly spins, and some these will be made into panoramic views of Titan's surface. This map shows the planned coverage by the medium- and high-resolution. PIA06173 shows expected coverage by the Descent Imager/Spectral Radiometer side-looking imager and two downward-looking imagers - one providing medium-resolution and the other high-resolution coverage. http://photojournal.jpl.nasa.gov/catalog/PIA06173

Fuel and fire behavior prediction in big sagebrush

Treesearch

James K. Brown

1982-01-01

Relationships between height of big sagebrush and crown area, fuel loading, bulk density, size distribution of foliage and stemwood, and fraction dead stemwood are presented. Based upon these relationships, modeled rate-of-fire spread and fireline intensity are shown for sagebrush ranging in height from 20 to 120 em and in coverage from 10 to 40 percent. Verification...

Where Carbon Goes When Water Flows: Carbon Cycling across the Aquatic Continuum

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

Ward, Nicholas D.; Bianchi, Thomas S.; Medeiros, Patricia M.

The purpose of this review is to highlight progress in unraveling carbon cycling dynamics across the continuum of landscapes, inland waters, coastal oceans, and the atmosphere. Earth systems are intimately interconnected, yet most biogeochemical studies focus on specific components in isolation. The movement of water drives the carbon cycle, and, as such, inland waters provide a critical intersection between terrestrial and marine biospheres. Inland, estuarine, and coastal waters are well studied in regions near centers of human population in the Northern hemisphere. However, many of the world’s large river systems and their marine receiving waters remain poorly characterized, particularly inmore » the tropics, which contribute to a disproportionately large fraction of the transformation of terrestrial organic matter to carbon dioxide, and the Arctic, where positive feedback mechanisms are likely to amplify global climate change. There are large gaps in current coverage of environmental observations along the aquatic continuum. For example, tidally-influenced reaches of major rivers and near-shore coastal regions around river plumes are often left out of carbon budgets due to a combination of methodological constraints and poor data coverage. We suggest that closing these gaps could potentially alter global estimates of CO2 outgassing from surface waters to the atmosphere by several-fold. Finally, in order to identify and constrain/embrace uncertainties in global carbon budget estimations it is important that we further adopt statistical and modeling approaches that have become well-established in the fields of oceanography and paleoclimatology, for example.« less

Estimating Morning Change in Land Surface Temperature from MODIS Day/Night Observations: Applications for Surface Energy Balance Modeling.

PubMed

Hain, Christopher R; Anderson, Martha C

2017-10-16

Observations of land surface temperature (LST) are crucial for the monitoring of surface energy fluxes from satellite. Methods that require high temporal resolution LST observations (e.g., from geostationary orbit) can be difficult to apply globally because several geostationary sensors are required to attain near-global coverage (60°N to 60°S). While these LST observations are available from polar-orbiting sensors, providing global coverage at higher spatial resolutions, the temporal sampling (twice daily observations) can pose significant limitations. For example, the Atmosphere Land Exchange Inverse (ALEXI) surface energy balance model, used for monitoring evapotranspiration and drought, requires an observation of the morning change in LST - a quantity not directly observable from polar-orbiting sensors. Therefore, we have developed and evaluated a data-mining approach to estimate the mid-morning rise in LST from a single sensor (2 observations per day) of LST from the Moderate Resolution Imaging Spectroradiometer (MODIS) sensor on the Aqua platform. In general, the data-mining approach produced estimates with low relative error (5 to 10%) and statistically significant correlations when compared against geostationary observations. This approach will facilitate global, near real-time applications of ALEXI at higher spatial and temporal coverage from a single sensor than currently achievable with current geostationary datasets.

The Sapphire (0001) Surface, Clean and with d-metal Overlayers: Density Functional - LDA Results

NASA Astrophysics Data System (ADS)

Verdozzi, C.; Jennison, D. R.; Schultz, P. A.; Sears, M. P.

1998-03-01

Previous theoretical work for the a-Al2O3(0001) surface mostly used very thin slabs, and limited theoretical information is available on the binding of metal overlayers. Also, no systematic information is available about the dependence of the metal-ceramic interaction on metal coverage. We present here results using the local density approximation for the structural and electronic properties of the a-Al2O3(0001) surface, with and without d-metal overlayers Pt, Ag, Cu, and with sufficiently thick slabs to find the bottom of the unusually large and deep surface relaxation in this material. Our thick slab site-optimized calculations are performed for 1, 2/3 and 1/3 monolayer (ML) coverage. The adhesion energy and the nature of the interfacial bond vary greatly with metal coverage and can be understood in terms of the relative roles of the surface Madelung potential and the strength of the lateral metal-metal bond. Our study should in principle succeed in bracketing the phenomenology of adhesion and wetting at least for the right-most part of the d-metal periodic table. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under Contract DE-AC04-94AL85000. Corresponding author: claudio@sandia.gov.

Energetics of Mg incorporation at GaN(0001) and GaN(0001¯) surfaces

NASA Astrophysics Data System (ADS)

Sun, Qiang; Selloni, Annabella; Myers, T. H.; Doolittle, W. Alan

2006-04-01

By using density functional calculations in the generalized gradient approximation, we investigate the energetics of Mg adsorption and incorporation at GaN(0001) and GaN(0001¯) surfaces under various Ga and Mg coverage conditions as well as in presence of light or electron beam-induced electronic excitation. We find significant differences in Mg incorporation between Ga- and N-polar surfaces. Mg incorporation is easier at the Ga-polar surface, but high Mg coverages are found to cause important distortions which locally change the polarity from Ga to N polar. At the N-rich and moderately Ga-rich GaN(0001) surface, 0.25 ML of Mg substituting Ga in the top bilayer strongly reduce the surface diffusion barriers of Ga and N adatoms, in agreement with the surfactant effect observed in experiments. As the Mg coverage exceeds 0.5 ML, partial incorporation in the subsurface region (second bilayer) becomes favorable. A surface structure with 0.5 ML of incorporated Mg in the top bilayer and 0.25 ML in the second bilayer is found to be stable over a wide range of Ga chemical potential. At the Ga bilayer-terminated GaN(0001) surface, corresponding to Ga-rich conditions, configurations where Mg is incorporated in the interface region between the metallic Ga bilayer and the underlying GaN bilayer appear to be favored. At the N-polar surface, Mg is not incorporated under N-rich or moderately Ga-rich conditions, whereas incorporation in the adlayer may take place under Ga-rich conditions. In the presence of light or electron beam induced excitation, energy differences between Mg incorporated at the surface and in deeper layers are reduced so that the tendency toward surface segregation is also reduced.

Diffusion of hydrogen interstitials in the near-surface region of Pd(111) under the influence of surface coverage and external static electric fields

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

Blanco-Rey, M.; Donostia International Physics Center; Tremblay, J. C.

2015-04-21

Past scanning tunneling microscopy (STM) experiments of H manipulation on Pd(111), at low temperature, have shown that it is possible to induce diffusion of surface species as well as of those deeply buried under the surface. Several questions remain open regarding the role of subsurface site occupancies. In the present work, the interaction potential of H atoms with Pd(111) under various H coverage conditions is determined by means of density functional theory calculations in order to provide an answer to two of these questions: (i) whether subsurface sites are the final locations for the H impurities that attempt to emergemore » from bulk regions, and (ii) whether penetration of the surface is a competing route of on-surface diffusion during depletion of surface H on densely covered Pd(111). We find that a high H coverage has the effect of blocking resurfacing of H atoms travelling from below, which would otherwise reach the surface fcc sites, but it hardly alters deeper diffusion energy barriers. Penetration is unlikely and restricted to high occupancies of hcp hollows. In agreement with experiments, the Pd lattice expands vertically as a consequence of H atoms being blocked at subsurface sites, and surface H enhances this expansion. STM tip effects are included in the calculations self-consistently as an external static electric field. The main contribution to the induced surface electric dipoles originates from the Pd substrate polarisability. We find that the electric field has a non-negligible effect on the H-Pd potential in the vicinity of the topmost Pd atomic layer, yet typical STM intensities of 1-2 VÅ{sup −1} are insufficient to invert the stabilities of the surface and subsurface equilibrium sites.« less

Effect of Simulant Type on the Absorptance and Emittance of Dusted Thermal Control Surfaces in a Simulated Lunar Environment

NASA Technical Reports Server (NTRS)

Gaier, James R.

2010-01-01

During the Apollo program the effects of lunar dust on thermal control surfaces was found to be more significant than anticipated, with several systems overheating due to deposition of dust on them. In an effort to reduce risk to future missions, a series of tests has been initiated to characterize the effects of dust on these surfaces, and then to develop technologies to mitigate that risk. Given the variations in albedo across the lunar surface, one variable that may be important is the darkness of the lunar dust, and this study was undertaken to address that concern. Three thermal control surfaces, AZ-93 white paint and AgFEP and AlFEP second surface mirrors were dusted with three different lunar dust simulants in a simulated lunar environment, and their solar absorptivity and thermal emissivity values determined experimentally. The three simulants included JSC 1AF, a darker mare simulant, NU-LHT-1D, a light highlands simulant, and 1:1 mixture of the two. The response of AZ-93 was found to be slightly more pronounced than that of AgFEP. The increased with fractional dust coverage in both types of samples by a factor of 1.7 to 3.3, depending on the type of thermal control surface and the type of dust. The of the AZ-93 decreased by about 10 percent when fully covered by dust, while that of AgFEP increased by about 10 percent. It was found that alpha/epsilon varied by more than a factor of two depending on the thermal control surface and the darkness of the dust. Given that the darkest simulant used in this study may be significantly lighter than the darkest dust that could be encountered on the lunar surface, it becomes apparent that the performance degradation of thermal control surfaces due to dust on the moon will be strongly dependent on the and of the dust in the specific locality.

Effect of Simulant Type on the Absorptance and Emittance of Dusted Thermal Control Surfaces in a Simulated Lunar Environment

NASA Technical Reports Server (NTRS)

Gaier, James R.

2010-01-01

During the Apollo program the effects of lunar dust on thermal control surfaces was found to be more significant than anticipated, with several systems overheating due to deposition of dust on them. In an effort to reduce risk to future missions, a series of tests has been initiated to characterize the effects of dust on these surfaces, and then to develop technologies to mitigate that risk. Given the variations in albedo across the lunar surface, one variable that may be important is the darkness of the lunar dust, and this study was undertaken to address that concern. Three thermal control surfaces, AZ-93 white paint and AgFEP and AlFEP second surface mirrors were dusted with three different lunar dust simulants in a simulated lunar environment, and their integrated solar absorptance ( ) and thermal emittance ( ) values determined experimentally. The three simulants included JSC-1AF, a darker mare simulant, NU-LHT-1D, a light highlands simulant, and 1:1 mixture of the two. The response of AZ-93 was found to be slightly more pronounced than that of AgFEP. The increased with fractional dust coverage in both types of samples by a factor of 1.7 to 3.3, depending on the type of thermal control surface and the type of dust. The of the AZ-93 decreased by about 10 percent when fully covered by dust, while that of AgFEP increased by about 10 percent. It was found that / varied by more than a factor of two depending on the thermal control surface and the darkness of the dust. Given that the darkest simulant used in this study may be lighter than the darkest dust that could be encountered on the lunar surface, it becomes apparent that the performance degradation of thermal control surfaces due to dust on the Moon will be strongly dependent on the and of the dust in the specific locality

Bridging the Past with Today's Microwave Remote Sensing: A Case Study of Long Term Inundation Patterns in Two River Deltas

NASA Astrophysics Data System (ADS)

McDonald, K. C.; Jensen, K.; Schroeder, R.; Tessler, Z. D.

2016-12-01

Surface inundation extent and its predictability vary tremendously across the globe. This dynamic is being and has been captured by three general categories of satellite imagery: a) low-spatial-resolution microwave sensors with global coverage and a long record of observations (e.g., SSM/I), b) optical sensors with high spatial and temporal resolution and global coverage as well, but with cloud contamination (e.g. MODIS), and also c) less frequently in ``snapshot'' form by high-resolution synthetic aperture radar (SAR) sensors. We explore the ability to bridge techniques that can exploit the higher spatial resolution of more recent data products back in time with the help of the temporal evolution of lower resolution products. We present a study of long term (20+ yrs) inundation patterns in two river deltas: (1) the Mekong, and (2) the Ganges-Brahmaputra. This research utilizes baseline observations from the Surface Water Microwave Product Series (SWAMPS), an inundation area fraction product derived at 25km scale from active and passive microwave instruments (ERS, QuikSCAT, ASCAT, and SSM/I) that spans from Jan 1992 to the present. Every hydrological basin has unique characteristics - such as its topography, land cover / land use, and spatio-temporal variability - thus, a downscaling algorithm needs to take into account these idiosyncrasies. We merge SWAMPS with topographical information derived from 30m SRTM DEM, river networks from USGS HydroSHEDS, and train a downscaling algorithm to learn from two sets of classified SAR data: (1) L-band imaging radar from ALOS PALSAR, 2007-2010, and (2) more recent C-band imagery from the Sentinel-1 mission (2014 to present). We present an accuracy assessment of retrospective downscaled flood extent with Landsat imagery and address potential sources of biases. With a higher spatial resolution of past flooding extent, we can improve our understanding of how delta surface hydrology has responded to climate events and human activities. This is important both in the short-term for accurate flood prediction, as well as on longer-term planning horizons.

Whitecaps, sea-salt aerosols, and climate

NASA Astrophysics Data System (ADS)

Anguelova, Magdalena Dimitrova

Oceanic whitecaps are the major source of sea-salt aerosols. Because these aerosols are dominant in remote marine air, they control the radiative properties of the clean background atmosphere by scattering sunlight, changing cloud properties and lifetime, and providing media for chemical reactions. Including sea-salt effects in climate models improves predictions, but simulating their generation is first necessary. To make the sea-salt generation function currently used in climate models more relevant for aerosol investigations, this study proposes two modifications. First, the conventional relation between whitecap coverage, W, and the 10-meter wind speed, U10, used in typical generation functions is expanded to include additional factors that affect whitecaps and sea-salt aerosol formation. Second, the sea-salt generation function is extended to smaller sizes; sea-salt aerosol with initial radii from 0.4 to 20 mum can now be modeled. To achieve these goals, this thesis develops a new method for estimating whitecap coverage on a global scale using satellite measurements of the brightness temperature of the ocean surface. Whitecap coverage evaluated with this method incorporates the effects of atmospheric stability, sea-surface temperature, salinity, wind fetch, wind duration, and the amount of surface-active material. Assimilating satellite-derived values for whitecap coverage in the sea-salt generation function incorporates the effects of all environmental factors on sea-salt production and predicts realistic sea-salt aerosol loadings into the atmosphere. An extensive database of whitecap coverage and sea-salt aerosol fluxes has been compiled with the new method and is used to investigate their spatial and temporal characteristics. The composite effect of all environmental factors suggests a more uniform latitudinal distribution of whitecaps and sea-salt aerosols than that predicted from wind speed alone. The effect of sea-surface temperature, TS, is parameterized for the first time using regression analysis. The resulting parameterization W( U10, TS) is a better predictor of whitecap coverage than the conventional W(U 10) relation. This thesis also considers the contribution of oceanic whitecaps to ocean albedo and CO2 transfer and evaluates the direct effect of sea-salt aerosols on climate, the sea-salt contribution to CCN formation, and the role of sea-salt aerosols in atmospheric chemistry.

A first principles kinetic Monte Carlo investigation of the adsorption and mobility of gadolinium on the (100) surface of tungsten

NASA Astrophysics Data System (ADS)

Samin, Adib J.; Zhang, Jinsuo

2017-05-01

An accurate characterization of lanthanide adsorption and mobility on tungsten surfaces is important for pyroprocessing. In the present study, the adsorption and diffusion of gadolinium on the (100) surface of tungsten was investigated. It was found that the hollow sites were the most energetically favorable for the adsorption. It was further observed that a magnetic moment was induced following the adsorption of gadolinium on the tungsten surface and that the system with adsorbed hollow sites had the largest magnetization. A pathway for the surface diffusion of gadolinium was determined to occur by hopping between the nearest neighbor hollow sites via the bridge site and the activation energy for the hop was calculated to be 0.75 eV. The surface diffusion process was further assessed using two distinct kinetic Monte Carlo models; one that accounted for lateral adsorbate interactions up to the second nearest neighbor and one that did not account for such interatomic interactions in the adlayer. When the lateral interactions were included in the simulations, the diffusivity was observed to have a strong dependence on coverage (for the coverage values being studied). The effects of lateral interactions were further observed in a one-dimensional simulation of the diffusion equation where the asymmetry in the surface coverage profile upon its approach to a steady state distribution was clear in comparison with the simulations which did not account for those interactions.

Interpreting the adsorption of serum albumin and lactoglobulin onto ZnS nanopaticles: effect of conformational rigidity of the proteins.

PubMed

Saikia, Jiban; Saha, Bedabrata; Das, Gopal

2014-02-15

The work we have undertaken is to investigate the adsorption of two different proteins (BSA and BLG) having near same IEP and differing in their conformational flexibility, onto the surface of ZnS nanoparticles (ZnS NPs). BSA and BLG both have an IEP value around pH~5. BSA is more prone to conformational deformation and considered "soft" while BLG holds the conformational rigidity and considered as "hard" protein. To ascertain the differences in surface coverage and conformation of the protein onto ZnS surface (PZC ~ 3.7), we have evaluated the adsorption profile at pH 7, where the entire surface behaves negatively. An integrated approach was taken by incorporating zeta (ζ) potential, fluorescence and CD for analyzing the adsorption process. In both systems, an increase in protein surface coverage was observed with the increase in free protein concentration in the solution and ζ values approaching that of native protein at high surface coverage. An alteration in the tertiary structure was observed for both BSA and BLG. The CD spectra analysis reveals that the secondary structure of the BSA was more deviated from the native protein structure, accommodating the increased adsorption value. For BLG no such prominent structural alteration was observed. These findings help us to understand better, how adjustment of the protein adsorption amount can be achieved onto the surface of nanoparticles having like charges. Copyright © 2013 Elsevier Inc. All rights reserved.

A high-coverage nanoparticle monolayer for the fabrication of a subwavelength structure on InP substrates.

PubMed

Kim, Dae-Seon; Park, Min-Su; Jang, Jae-Hyung

2011-08-01

Subwavelength structures (SWSs) were fabricated on the Indium Phosphide (InP) substrate by utilizing the confined convective self-assembly (CCSA) method followed by reactive ion etching (RIE). The surface condition of the InP substrate was changed by depositing a 30-nm-thick SiO2 layer and subsequently treating the surface with O2 plasma to achieve better surface coverage. The surface coverage of nanoparticle monolayer reached 90% by using O2 plasma-treated SiO2/InP substrate among three kinds of starting substrates such as the bare InP, SiO2/InP and O2 plasma-treated SiO2/InP substrate. A nanoparticle monolayer consisting of polystyrene spheres with diameter of 300 nm was used as an etch mask for transferring a two-dimensional periodic pattern onto the InP substrate. The fabricated conical SWS with an aspect ratio of 1.25 on the O2 plasma-treated SiO2/InP substrate exhibited the lowest reflectance. The average reflectance of the conical SWS was 5.84% in a spectral range between 200 and 900 nm under the normal incident angle.

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

NONE

Is Non-invasive Image-Guided Breast Brachytherapy Good? – Jess Hiatt, MS Non-invasive Image-Guided Breast Brachytherapy (NIBB) is an emerging therapy for breast boost treatments as well as Accelerated Partial Breast Irradiation (APBI) using HDR surface breast brachytherapy. NIBB allows for smaller treatment volumes while maintaining optimal target coverage. Considering the real-time image-guidance and immobilization provided by the NIBB modality, minimal margins around the target tissue are necessary. Accelerated Partial Breast Irradiation in brachytherapy: is shorter better? - Dorin Todor, PhD VCU A review of balloon and strut devices will be provided together with the origins of APBI: the interstitial multi-catheter implant.more » A dosimetric and radiobiological perspective will help point out the evolution in breast brachytherapy, both in terms of devices and the protocols/clinical trials under which these devices are used. Improvements in imaging, delivery modalities and convenience are among the factors driving the ultrashort fractionation schedules but our understanding of both local control and toxicities associated with various treatments is lagging. A comparison between various schedules, from a radiobiological perspective, will be given together with a critical analysis of the issues. to review and understand the evolution and development of APBI using brachytherapy methods to understand the basis and limitations of radio-biological ‘equivalence’ between fractionation schedules to review commonly used and proposed fractionation schedules Intra-operative breast brachytherapy: Is one stop shopping best?- Bruce Libby, PhD. University of Virginia A review of intraoperative breast brachytherapy will be presented, including the Targit-A and other trials that have used electronic brachytherapy. More modern approaches, in which the lumpectomy procedure is integrated into an APBI workflow, will also be discussed. Learning Objectives: To review past and current clinical trials for IORT To discuss lumpectomy-scan-plan-treat workflow for IORT.« less

Validation of Satellite Retrieved Land Surface Variables

NASA Technical Reports Server (NTRS)

Lakshmi, Venkataraman; Susskind, Joel

1999-01-01

The effective use of satellite observations of the land surface is limited by the lack of high spatial resolution ground data sets for validation of satellite products. Recent large scale field experiments include FIFE, HAPEX-Sahel and BOREAS which provide us with data sets that have large spatial coverage and long time coverage. It is the objective of this paper to characterize the difference between the satellite estimates and the ground observations. This study and others along similar lines will help us in utilization of satellite retrieved data in large scale modeling studies.

Nanopatterning of magnetic domains: Fe coverage of self-assembled alumina nanostructure

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

Wu, Qibin; Wang, Bo -Yao; Lin, Wen -Chin

2015-08-19

Nanosized ultrathin magnetic films were prepared by controlling the deposition of Fe onto an oxidized NiAl(001) surface with an alumina nanostructure on it. Because the ultrathin ferromagnetic Fe films on the bare NiAl(001) surface are separated by paramagnetic Fe nanoparticles on the alumina stripes, as determined by scanning electron microscopy with spin analysis, they form rectangular domains with sizes ranging from tens of nanometer to larger than a micrometer. Furthermore, magnetic domain patterning can thus be achieved by controlling the Fe coverage and nanostructured template.

In situ assessment of the contact angles of nanoparticles adsorbed at fluid interfaces by multiple angle of incidence ellipsometry.

PubMed

Stocco, Antonio; Su, Ge; Nobili, Maurizio; In, Martin; Wang, Dayang

2014-09-28

Here multiple angle of incidence ellipsometry was successfully applied to in situ assess the contact angle and surface coverage of gold nanoparticles as small as 18 nm, coated with stimuli-responsive polymers, at water-oil and water-air interfaces in the presence of NaCl and NaOH, respectively. The interfacial adsorption of the nanoparticles was found to be very slow and took days to reach a fairly low surface coverage. For water-oil interfaces, in situ nanoparticle contact angles agree with the macroscopic equilibrium contact angles of planar gold surfaces with the same polymer coatings, whilst for water-air interfaces, significant differences have been observed.

Phase I trial of stereotactic MR-guided online adaptive radiation therapy (SMART) for the treatment of oligometastatic or unresectable primary malignancies of the abdomen.

PubMed

Henke, Lauren; Kashani, Rojano; Robinson, Clifford; Curcuru, Austen; DeWees, Todd; Bradley, Jeffrey; Green, Olga; Michalski, Jeff; Mutic, Sasa; Parikh, Parag; Olsen, Jeffrey

2018-03-01

SBRT is used to treat oligometastatic or unresectable primary abdominal malignancies, although ablative dose delivery is limited by proximity of organs-at-risk (OAR). Stereotactic, magnetic resonance (MR)-guided online-adaptive radiotherapy (SMART) may improve SBRT's therapeutic ratio. This prospective Phase I trial assessed feasibility and potential advantages of SMART to treat abdominal malignancies. Twenty patients with oligometastatic or unresectable primary liver (n = 10) and non-liver (n = 10) abdominal malignancies underwent SMART. Initial plans prescribed 50 Gy/5 fractions (BED 100 Gy) with goal 95% PTV coverage by 95% of prescription, subject to hard OAR constraints. Daily real-time online-adaptive plans were created as needed, based on daily setup MR-image-set tumor/OAR "anatomy-of-the-day" to preserve hard OAR constraints, escalate PTV dose, or both. Treatment times, patient outcomes, and dosimetric comparisons between initial and adaptive plans were prospectively recorded. Online adaptive plans were created at time of treatment for 81/97 fractions, due to initial plan violation of OAR constraints (61/97) or observed opportunity for PTV dose escalation (20/97). Plan adaptation increased PTV coverage in 64/97 fractions. Zero Grade ≥ 3 acute (<6 months) treatment-related toxicities were observed. SMART is clinically deliverable and safe, allowing PTV dose escalation and/or simultaneous OAR sparing compared to non-adaptive abdominal SBRT. Copyright © 2017 The Authors. Published by Elsevier B.V. All rights reserved.

Dosimetric comparison between step-shoot intensity-modulated radiotherapy and volumetric-modulated arc therapy for upper thoracic and cervical esophageal carcinoma.

PubMed

Gao, Min; Li, Qilin; Ning, Zhonghua; Gu, Wendong; Huang, Jin; Mu, Jinming; Pei, Honglei

2016-01-01

To compare and analyze the dosimetric characteristics of volumetric modulated arc therapy (VMAT) vs step-shoot intensity-modulated radiation therapy (sIMRT) for upper thoracic and cervical esophageal carcinoma. Single-arc VMAT (VMAT1), dual-arc VMAT (VMAT2), and 7-field sIMRT plans were designed for 30 patients with upper thoracic or cervical esophageal carcinoma. Planning target volume (PTV) was prescribed to 50.4Gy in 28 fractions, and PTV1 was prescribed to 60Gy in 28 fractions. The parameters evaluated included dose homogeneity and conformality, dose to organs at risk (OARs), and delivery efficiency. (1) In comparison to sIMRT, VMAT provided a systematic improvement in PTV1 coverage. The homogeneity index of VMAT1 was better than that of VMAT2. There were no significant differences among sIMRT, VMAT1, and VMAT2 in PTV coverage. (2) VMAT1 and VMAT2 reduced the maximum dose of spinal cord as compared with sIMRT (p < 0.05). The rest dose-volume characteristics of OARs were similar. (3) Monitor units of VMAT2 and VMAT1 were more than sIMRT. However, the treatment time of VMAT1, VMAT2, and sIMRT was (2.0 ± 0.2), (2.8 ± 0.3), and (9.8 ± 0.8) minutes, respectively. VMAT1 was the fastest, and the difference was statistically significant. In the treatment of upper thoracic and cervical esophageal carcinoma by the AXESSE linac, compared with 7-field sIMRT, VMAT showed better PTV1 coverage and superior spinal cord sparing. Single-arc VMAT had similar target volume coverage and the sparing of OAR to dual-arc VMAT, with shortest treatment time and highest treatment efficiency in the 3 kinds of plans. Copyright © 2016 American Association of Medical Dosimetrists. Published by Elsevier Inc. All rights reserved.

Dosimetric comparison between step-shoot intensity-modulated radiotherapy and volumetric-modulated arc therapy for upper thoracic and cervical esophageal carcinoma

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

Gao, Min; Li, Qilin; Ning, Zhonghua

2016-07-01

To compare and analyze the dosimetric characteristics of volumetric modulated arc therapy (VMAT) vs step-shoot intensity-modulated radiation therapy (sIMRT) for upper thoracic and cervical esophageal carcinoma. Single-arc VMAT (VMAT1), dual-arc VMAT (VMAT2), and 7-field sIMRT plans were designed for 30 patients with upper thoracic or cervical esophageal carcinoma. Planning target volume (PTV) was prescribed to 50.4 Gy in 28 fractions, and PTV1 was prescribed to 60 Gy in 28 fractions. The parameters evaluated included dose homogeneity and conformality, dose to organs at risk (OARs), and delivery efficiency. (1) In comparison to sIMRT, VMAT provided a systematic improvement in PTV1 coverage.more » The homogeneity index of VMAT1 was better than that of VMAT2. There were no significant differences among sIMRT, VMAT1, and VMAT2 in PTV coverage. (2) VMAT1 and VMAT2 reduced the maximum dose of spinal cord as compared with sIMRT (p < 0.05). The rest dose-volume characteristics of OARs were similar. (3) Monitor units of VMAT2 and VMAT1 were more than sIMRT. However, the treatment time of VMAT1, VMAT2, and sIMRT was (2.0 ± 0.2), (2.8 ± 0.3), and (9.8 ± 0.8) minutes, respectively. VMAT1 was the fastest, and the difference was statistically significant. In the treatment of upper thoracic and cervical esophageal carcinoma by the AXESSE linac, compared with 7-field sIMRT, VMAT showed better PTV1 coverage and superior spinal cord sparing. Single-arc VMAT had similar target volume coverage and the sparing of OAR to dual-arc VMAT, with shortest treatment time and highest treatment efficiency in the 3 kinds of plans.« less

Ice nucleation on nanotextured surfaces: the influence of surface fraction, pillar height and wetting states.

PubMed

Metya, Atanu K; Singh, Jayant K; Müller-Plathe, Florian

2016-09-29

In this work, we address the nucleation behavior of a supercooled monatomic cylindrical water droplet on nanoscale textured surfaces using molecular dynamics simulations. The ice nucleation rate at 203 K on graphite based textured surfaces with nanoscale roughness is evaluated using the mean fast-passage time method. The simulation results show that the nucleation rate depends on the surface fraction as well as the wetting states. The nucleation rate enhances with increasing surface fraction for water in the Cassie-Baxter state, while contrary behavior is observed for the case of Wenzel state. Based on the spatial histogram distribution of ice formation, we observed two pathways for ice nucleation. Heterogeneous nucleation is observed at a high surface fraction. However, the probability of homogeneous ice nucleation events increases with decreasing surface fraction. We further investigate the role of the nanopillar height in ice nucleation. The nucleation rate is enhanced with increasing nanopillar height. This is attributed to the enhanced contact area with increasing nanopillar height and the shift in nucleation events towards the three-phase contact line associated with the nanotextured surface. The ice-surface work of adhesion for the Wenzel state is found to be 1-2 times higher than that in the Cassie-Baxter state. Furthermore, the work of adhesion of ice in the Wenzel state is found to be linearly dependent on the contour length of the droplet, which is in line with that reported for liquid droplets.

Full-coverage film cooling. I - Comparison of heat transfer data for three injection angles

NASA Technical Reports Server (NTRS)

Crawford, M. E.; Kays, W. M.; Moffat, R. J.

1980-01-01

Wind tunnel experiments were carried out at Stanford between 1971 and 1977 to study the heat transfer characteristics of full-coverage film cooled surfaces with three geometries; normal-, 30 deg slant-, and 30 deg x 45 deg compound-angled injection. A flat full-coverage section and downstream recovery section comprised the heat transfer system. The experimental objectives were to determine, for each geometry, the effects on surface heat flux of injection blowing ratio, injection temperature ratio, and upstream initial conditions. Spanwise-averaged Stanton numbers were measured for blowing ratios from 0 to 1.3, and for two values of injection temperature at each blowing ratio. The heat transfer coefficient was defined on the basis of a mainstream-to-wall temperature difference. Initial momentum and enthalpy thickness Reynolds numbers were varied from 500 to about 3000.

Modeling genome coverage in single-cell sequencing

PubMed Central

Daley, Timothy; Smith, Andrew D.

2014-01-01

Motivation: Single-cell DNA sequencing is necessary for examining genetic variation at the cellular level, which remains hidden in bulk sequencing experiments. But because they begin with such small amounts of starting material, the amount of information that is obtained from single-cell sequencing experiment is highly sensitive to the choice of protocol employed and variability in library preparation. In particular, the fraction of the genome represented in single-cell sequencing libraries exhibits extreme variability due to quantitative biases in amplification and loss of genetic material. Results: We propose a method to predict the genome coverage of a deep sequencing experiment using information from an initial shallow sequencing experiment mapped to a reference genome. The observed coverage statistics are used in a non-parametric empirical Bayes Poisson model to estimate the gain in coverage from deeper sequencing. This approach allows researchers to know statistical features of deep sequencing experiments without actually sequencing deeply, providing a basis for optimizing and comparing single-cell sequencing protocols or screening libraries. Availability and implementation: The method is available as part of the preseq software package. Source code is available at http://smithlabresearch.org/preseq. Contact: andrewds@usc.edu Supplementary information: Supplementary material is available at Bioinformatics online. PMID:25107873

Bimodal albedo distributions in the ablation zone of the southwestern Greenland Ice Sheet

NASA Astrophysics Data System (ADS)

Moustafa, S. E.; Rennermalm, A. K.; Smith, L. C.; Miller, M. A.; Mioduszewski, J. R.

2014-09-01

Surface albedo is a key variable controlling solar radiation absorbed at the Greenland Ice Sheet (GrIS) surface, and thus, meltwater production. Recent decline in surface albedo over the GrIS has been linked to enhanced snow grain metamorphic rates and amplified ice-albedo feedback from atmospheric warming. However, the importance of distinct surface types on ablation zone albedo and meltwater production is still relatively unknown, and excluded in surface mass balance models. In this study, we analyze albedo and ablation rates using in situ and remotely-sensed data. Observations include: (1) a new high-quality in situ spectral albedo dataset collected with an Analytical Spectral Devices (ASD) spectroradiometer measuring at 325-1075 nm, along a 1.25 km transect during three days in June 2013; (2) broadband albedo at two automatic weather stations; and (3) daily MODerate Resolution Imaging Spectroradiometer (MODIS) albedo (MOD10A1) between 31 May and 30 August. We find that seasonal ablation zone albedos have a bimodal distribution, with two alternate states. This suggests that an abrupt switch from high to low albedo can be triggered by a modest melt event, resulting in amplified surface ablation rates. Our results show that such a shift corresponds to an observed melt rate percent difference increase of 51.6% during peak melt season (between 10-14 and 20-24 July 2013). Furthermore, our findings demonstrate that seasonal changes in GrIS ablation zone albedo are not exclusively a function of a darkening surface from ice crystal growth, but rather are controlled by changes in the fractional coverage of snow, bare ice, and impurity-rich surface types. As the climate continues to warm, regional climate models should consider the seasonal evolution of ice surface types in Greenland's ablation zone to improve projections of mass loss contributions to sea level rise.

Hypertrophic Scarring of the Neck Following Ablative Fractional Carbon Dioxide Laser Resurfacing

PubMed Central

Avram, Mathew M.; Tope, Whitney D.; Yu, Thomas; Szachowicz, Edward; Nelson, J. Stuart

2009-01-01

Background Ablative fractional carbon dioxide (CO2) laser treatments have gained popularity due to their efficacy, shortened downtime, and decreased potential for scarring in comparison to traditional ablative CO2 resurfacing. To date, scarring with fractional CO2 lasers has not been reported. Objective Five patients treated with the same fractional CO2 laser technology for photodamage of the neck were referred to our practices 1–3 months after treatment. Each patient developed scarring. Of the five cases, two are discussed in detail. The first was treated under general anesthesia on the face and anterior neck at a pulse energy of 30 mJ (859 μm depth) with 25% coverage. Eleven days after treatment, three non-healing areas along the horizontal skin folds of the anterior neck were noted. At 2 weeks after CO2 ablative fractional resurfacing, these areas had become thickened. These raised areas were treated with a non-ablative fractionated 1,550 nm laser to modify the wound healing milieu. One week later, distinct firm pale papules in linear arrays with mild hypopigmentation had developed along involved neck skin folds. Skin biopsy was performed. For the second patient, the neck was treated at a pulse energy of 20 mJ (630 μm depth) with 30% coverage of the exposed skin, with a total treatment energy of 5.0 kJ. Minimal crusting was noted on the neck throughout the initial healing phase of 2 weeks. She then experienced tightness on her neck. Approximately 3 weeks after treatment, she developed multiple vertical and horizontal hypertrophic scars (HS). Results Histopathology for the first case confirmed the presence of a hypertrophic scar. The papules in this case completely resolved with mild residual hypopigmentation after treatment with topical corticosteroids. HS failed to resolve in the second case to date after 1 month. Conclusion As with traditional ablative CO2 laser resurfacing, HS is a potential complication of ablative fractional CO2 laser resurfacing, particularly on the neck. With early diagnosis and appropriate treatment HS of neck skin may be reversible. We urge caution when treating the neck with this device and close attention to wound care in the post-operative period. PMID:19291746

Cloud vertical distribution from combined surface and space radar-lidar observations at two Arctic atmospheric observatories

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

Liu, Yinghui; Shupe, Matthew D.; Wang, Zhien

Detailed and accurate vertical distributions of cloud properties (such as cloud fraction, cloud phase, and cloud water content) and their changes are essential to accurately calculate the surface radiative flux and to depict the mean climate state. Surface and space-based active sensors including radar and lidar are ideal to provide this information because of their superior capability to detect clouds and retrieve cloud microphysical properties. In this study, we compare the annual cycles of cloud property vertical distributions from space-based active sensors and surface-based active sensors at two Arctic atmospheric observatories, Barrow and Eureka. Based on the comparisons, we identifymore » the sensors' respective strengths and limitations, and develop a blended cloud property vertical distribution by combining both sets of observations. Results show that surface-based observations offer a more complete cloud property vertical distribution from the surface up to 11 km above mean sea level (a.m.s.l.) with limitations in the middle and high altitudes; the annual mean total cloud fraction from space-based observations shows 25-40 % fewer clouds below 0.5 km than from surface-based observations, and space-based observations also show much fewer ice clouds and mixed-phase clouds, and slightly more liquid clouds, from the surface to 1 km. In general, space-based observations show comparable cloud fractions between 1 and 2 km a.m.s.l., and larger cloud fractions above 2 km a.m.s.l. than from surface-based observations. A blended product combines the strengths of both products to provide a more reliable annual cycle of cloud property vertical distributions from the surface to 11 km a.m.s.l. This information can be valuable for deriving an accurate surface radiative budget in the Arctic and for cloud parameterization evaluation in weather and climate models. Cloud annual cycles show similar evolutions in total cloud fraction and ice cloud fraction, and lower liquid-containing cloud fraction at Eureka than at Barrow; the differences can be attributed to the generally colder and drier conditions at Eureka relative to Barrow.« less

Cloud vertical distribution from combined surface and space radar-lidar observations at two Arctic atmospheric observatories

DOE PAGES

Liu, Yinghui; Shupe, Matthew D.; Wang, Zhien; ...

2017-05-16

Detailed and accurate vertical distributions of cloud properties (such as cloud fraction, cloud phase, and cloud water content) and their changes are essential to accurately calculate the surface radiative flux and to depict the mean climate state. Surface and space-based active sensors including radar and lidar are ideal to provide this information because of their superior capability to detect clouds and retrieve cloud microphysical properties. In this study, we compare the annual cycles of cloud property vertical distributions from space-based active sensors and surface-based active sensors at two Arctic atmospheric observatories, Barrow and Eureka. Based on the comparisons, we identifymore » the sensors' respective strengths and limitations, and develop a blended cloud property vertical distribution by combining both sets of observations. Results show that surface-based observations offer a more complete cloud property vertical distribution from the surface up to 11 km above mean sea level (a.m.s.l.) with limitations in the middle and high altitudes; the annual mean total cloud fraction from space-based observations shows 25-40 % fewer clouds below 0.5 km than from surface-based observations, and space-based observations also show much fewer ice clouds and mixed-phase clouds, and slightly more liquid clouds, from the surface to 1 km. In general, space-based observations show comparable cloud fractions between 1 and 2 km a.m.s.l., and larger cloud fractions above 2 km a.m.s.l. than from surface-based observations. A blended product combines the strengths of both products to provide a more reliable annual cycle of cloud property vertical distributions from the surface to 11 km a.m.s.l. This information can be valuable for deriving an accurate surface radiative budget in the Arctic and for cloud parameterization evaluation in weather and climate models. Cloud annual cycles show similar evolutions in total cloud fraction and ice cloud fraction, and lower liquid-containing cloud fraction at Eureka than at Barrow; the differences can be attributed to the generally colder and drier conditions at Eureka relative to Barrow.« less

Influence of Whey Peptides on the Surface Activity of k-casein and ß-lactoglobulin

USDA-ARS?s Scientific Manuscript database

Whey protein hydrolysate (WPH) was fractionated by reverse-phase chromatography to obtain fractions of varying surface-hydrophobicities. A model oil–water interface (MI) was pre-coated with the WPH or fractions thereof. Contact angle (') of sessile drops of '-casein ('-CN) or ß-lactoglobulin A (ß-LG...

Evaluating the efficacy of subcellular fractionation of blast cells using live cell labeling and 2D DIGE.

PubMed

Ho, Yin Ying; Penno, Megan; Perugini, Michelle; Lewis, Ian; Hoffmann, Peter

2012-01-01

Labeling of exposed cell surface proteins of live cells using CyDye DIGE fluor minimal dyes is an efficient strategy for cell surface proteome profiling and quantifying differentially expressed proteins in diseases. Here we describe a strategy to evaluate a two-step detergent-based protein fractionation method using live cell labeling followed by visualization of the fluorescently labeled cell surface proteins and fractionated proteins within a single 2D gel.

Water Adsorption on Clean and Defective Anatase TiO2 (001) Nanotube Surfaces: A Surface Science Approach.

PubMed

Kenmoe, Stephane; Lisovski, Oleg; Piskunov, Sergei; Bocharov, Dmitry; Zhukovskii, Yuri F; Spohr, Eckhard

2018-05-31

We use ab initio molecular dynamics simulations to study the adsorption of thin water films with 1 and 2 ML coverage on anatase TiO 2 (001) nanotubes. The nanotubes are modeled as 2D slabs, which consist of partially constrained and partially relaxed structural motifs from nanotubes. The effect of anion doping on the adsorption is investigated by substituting O atoms with N and S impurities on the nanotube slab surface. Due to strain-induced curvature effects, water adsorbs molecularly on defect-free surfaces via weak bonds on Ti sites and H bonds to surface oxygens. While the introduction of an S atom weakens the interaction of the surface with water, which adsorbs molecularly, the presence of an N impurity renders the surface more reactive to water, with a proton transfer from the water film and the formation of an NH group at the N site. At 2 ML coverage, a further surface-assisted proton transfer takes place in the water film, resulting in the formation of an OH - group and an NH 2 + cationic site on the surface.

Effect of stone coverage on soil erosion

NASA Astrophysics Data System (ADS)

Jomaa, S.; Barry, D. A.; Heng, B. P.; Brovelli, A.; Sander, G. C.; Parlange, J.

2010-12-01

Soil surface coverage has a significant impact on water infiltration, runoff and soil erosion yields. In particular, surface stones protect the soils from raindrop detachment, they retard the overland flow therefore decreasing its sediment transport capacity, and they prevent surface sealing. Several physical and environmental factors control to what extent stones on the soil surface modify the erosion rates and the related hydrological response. Among the most important factors are the moisture content of the topsoil, stone size, emplacement, coverage density and soil texture. Owing to the different inter-related processes, there is ambiguity concerning the quantitative effect of stones, and process-based understanding is limited. Experiments were performed (i) to quantify how stone features affect sediment yields, (ii) to understand the local effect of isolated surface stones, that is, the changes of the soil particle size distribution in the vicinity of a stone and (iii) to determine how stones attenuate the development of surface sealing and in turn how this affects the local infiltration rate. A series of experiments using the EPFL 6-m × 2-m erosion flume were conducted at different rainfall intensities (28 and 74 mm h-1) and stone coverage (20 and 40%). The total sediment concentration, the concentration of the individual size classes and the flow discharge were measured. In order to analyze the measurements, the Hairsine and Rose (HR) erosion model was adapted to account for the shielding effect of the stone cover. This was done by suitably adjusting the parameters based on the area not covered by stones. It was found that the modified HR model predictions agreed well with the measured sediment concentrations especially for the long time behavior. Changes in the bulk density of the topsoil due to raindrop-induced compaction with and without stone protection revealed that the stones protect the upper soil surface against the structural seals resulting in negligible changes in the bulk density during the erosion event. Since the main process contributing to surface sealing development is the compaction due to the raindrop kinetic energy and associated physico-chemical changes, the protection provided by the stone cover is consistent with the area-averaging approach used in applying the HR model.

Interaction of epitaxial silicene with overlayers formed by exposure to Al atoms and O2 molecules.

PubMed

Friedlein, R; Van Bui, H; Wiggers, F B; Yamada-Takamura, Y; Kovalgin, A Y; de Jong, M P

2014-05-28

As silicene is not chemically inert, the study and exploitation of its electronic properties outside of ultrahigh vacuum environments require the use of insulating capping layers. In order to understand if aluminum oxide might be a suitable encapsulation material, we used high-resolution synchrotron photoelectron spectroscopy to study the interactions of Al atoms and O2 molecules, as well as the combination of both, with epitaxial silicene on thin ZrB2(0001) films grown on Si(111). The deposition of Al atoms onto silicene, up to the coverage of about 0.4 Al per Si atoms, has little effect on the chemical state of the Si atoms. The silicene-terminated surface is also hardly affected by exposure to O2 gas, up to a dose of 4500 L. In contrast, when Al-covered silicene is exposed to the same dose, a large fraction of the Si atoms becomes oxidized. This is attributed to dissociative chemisorption of O2 molecules by Al atoms at the surface, producing reactive atomic oxygen species that cause the oxidation. It is concluded that aluminum oxide overlayers prepared in this fashion are not suitable for encapsulation since they do not prevent but actually enhance the degradation of silicene.

Enhancement of oxidation resistance via a self-healing boron carbide coating on diamond particles

PubMed Central

Sun, Youhong; Meng, Qingnan; Qian, Ming; Liu, Baochang; Gao, Ke; Ma, Yinlong; Wen, Mao; Zheng, Weitao

2016-01-01

A boron carbide coating was applied to diamond particles by heating the particles in a powder mixture consisting of H3BO3, B and Mg. The composition, bond state and coverage fraction of the boron carbide coating on the diamond particles were investigated. The boron carbide coating prefers to grow on the diamond (100) surface than on the diamond (111) surface. A stoichiometric B4C coating completely covered the diamond particle after maintaining the raw mixture at 1200 °C for 2 h. The contribution of the boron carbide coating to the oxidation resistance enhancement of the diamond particles was investigated. During annealing of the coated diamond in air, the priory formed B2O3, which exhibits a self-healing property, as an oxygen barrier layer, which protected the diamond from oxidation. The formation temperature of B2O3 is dependent on the amorphous boron carbide content. The coating on the diamond provided effective protection of the diamond against oxidation by heating in air at 1000 °C for 1 h. Furthermore, the presence of the boron carbide coating also contributed to the maintenance of the static compressive strength during the annealing of diamond in air. PMID:26831205

Enhancement of oxidation resistance via a self-healing boron carbide coating on diamond particles.

PubMed

Sun, Youhong; Meng, Qingnan; Qian, Ming; Liu, Baochang; Gao, Ke; Ma, Yinlong; Wen, Mao; Zheng, Weitao

2016-02-02

A boron carbide coating was applied to diamond particles by heating the particles in a powder mixture consisting of H3BO3, B and Mg. The composition, bond state and coverage fraction of the boron carbide coating on the diamond particles were investigated. The boron carbide coating prefers to grow on the diamond (100) surface than on the diamond (111) surface. A stoichiometric B4C coating completely covered the diamond particle after maintaining the raw mixture at 1200 °C for 2 h. The contribution of the boron carbide coating to the oxidation resistance enhancement of the diamond particles was investigated. During annealing of the coated diamond in air, the priory formed B2O3, which exhibits a self-healing property, as an oxygen barrier layer, which protected the diamond from oxidation. The formation temperature of B2O3 is dependent on the amorphous boron carbide content. The coating on the diamond provided effective protection of the diamond against oxidation by heating in air at 1000 °C for 1 h. Furthermore, the presence of the boron carbide coating also contributed to the maintenance of the static compressive strength during the annealing of diamond in air.

Adsorption of benzyldimethylhexadecylammonium chloride at the hydrophobic silica-water interface studied by total internal reflection Raman spectroscopy: effects of silica surface properties and metal salt addition.

PubMed

Grenoble, Zlata; Baldelli, Steven

2013-08-29

The adsorption of the cationic surfactant benzyldimethylhexadecylammonium (BDMHA(+)) chloride was studied at an octadecyltrichlorosilane (OTS)-monolayer-modified silica-water interface by Raman spectroscopy in total internal reflection (TIR) geometry. The present study demonstrates the capabilities of this spectroscopic technique to evaluate thermodynamic and kinetic BDMHA(+)Cl(-) adsorption properties at the hydrophobic silica surface. The surface coverage of BDMHA(+) decreased by 50% at the hydrophobic OTS-silica surface relative to the surface coverage on bare silica; the dominating driving mechanisms for surfactant adsorption were identified as hydrophobic effects and head group charge screening by the electrolyte counterions. Addition of magnesium metal salt (MgCl2) to the aqueous solution (∼ neutral pH) lowered the surface coverage and moderately increased the Langmuir adsorption constants relative to those of the pure surfactant. These trends were previously observed at the hydrophilic, negatively charged silica surface but with a smaller change in the Gibbs free energy of adsorption at the hydrophobic silica surface. The hydrophobic OTS-silica surface properties resulted in shorter times for the surfactant to reach steady-state adsorption conditions compared to the slow adsorption kinetics previously seen with the surfactant at the hydrophilic surface. Adsorption isotherms, based on Raman signal intensities from spectral analysis, were developed according to the Langmuir adsorption model for the pure surfactant at the OTS-silica-water interface; the modified Langmuir model was applied to the surfactant adsorption in the presence of 5, 10, 50, and 100 mM magnesium chloride. Spectral analysis of the Raman scattering intensities and geometric considerations suggests a hemimicelle-type surface aggregate as the most likely surfactant structure at the OTS-silica surface. The different kinetics observed at the hydrophilic versus the hydrophobic silica surface further indicate that the surface charge and potential influence the surfactant diffusion and kinetic rates of adsorption at the silica-water interface.

Desorption Kinetics of Methanol, Ethanol, and Water from Graphene

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

Smith, R. Scott; Matthiesen, Jesper; Kay, Bruce D.

2014-09-18

The desorption kinetics of methanol, ethanol, and water from graphene covered Pt(111) are investigated. The temperature programmed desorption (TPD) spectra for both methanol and ethanol have well-resolved first, second, third, and multilayer layer desorption peaks. The alignment of the leading edges is consistent with zero-order desorption kinetics from all layers. In contrast, for water the first and second layers are not resolved. At low water coverages (< 1 ML) the initial desorption leading edges are aligned but then fall out of alignment at higher temperatures. For thicker water layers (10 to 100 ML), the desorption leading edges are in alignmentmore » throughout the desorption of the film. The coverage dependence of the desorption behavoir suggests that at low water coverages the non-alignment of the desorption leading edges is due to water dewetting from the graphene substrate. Kinetic simulations reveal that the experimental results are consistent with zero-order desorption. The simulations also show that fractional order desorption kinetics would be readily apparent in the experimental TPD spectra.« less

Desorption kinetics of methanol, ethanol, and water from graphene.

PubMed

Smith, R Scott; Matthiesen, Jesper; Kay, Bruce D

2014-09-18

The desorption kinetics of methanol, ethanol, and water from graphene covered Pt(111) are investigated. The temperature programmed desorption (TPD) spectra for both methanol and ethanol have well-resolved first, second, third, and multilayer layer desorption peaks. The alignment of the leading edges is consistent with zero-order desorption kinetics from all layers. In contrast, for water, the first and second layers are not resolved. At low water coverages (<1 monolayer (ML)) the initial desorption leading edges are aligned but then fall out of alignment at higher temperatures. For thicker water layers (10-100 ML), the desorption leading edges are in alignment throughout the desorption of the film. The coverage dependence of the desorption behavoir suggests that at low water coverages the nonalignment of the desorption leading edges is due to water dewetting from the graphene substrate. Kinetic simulations reveal that the experimental results are consistent with zero-order desorption. The simulations also show that fractional order desorption kinetics would be readily apparent in the experimental TPD spectra.

Vaccine vial stopper performance for fractional dose delivery of vaccines.

PubMed

Jarrahian, Courtney; Myers, Daniel; Creelman, Ben; Saxon, Eugene; Zehrung, Darin

2017-07-03

Shortages of vaccines such as inactivated poliovirus and yellow fever vaccines have been addressed by administering reduced-or fractional-doses, as recommended by the World Health Organization Strategic Advisory Group of Experts on Immunization, to expand population coverage in countries at risk. We evaluated 3 kinds of vaccine vial stoppers to assess their performance after increased piercing from repeated withdrawal of doses needed when using fractional doses (0.1 mL) from presentations intended for full-dose (0.5 mL) delivery. Self-sealing capacity and fragmentation of the stopper were assessed via modified versions of international standard protocols. All stoppers maintained self-sealing capacity after 100 punctures. The damage to stoppers measured as the fragmentation rate was within the target of ≤ 10% of punctures resulting in a fragment after as many as 50 punctures. We concluded that stopper failure is not likely to be a concern if existing vaccine vials containing up to 10 regular doses are used up to 50 times for fractional dose delivery.

Transmittance of transparent windows with non-absorbing cap-shaped droplets condensed on their backside

NASA Astrophysics Data System (ADS)

Zhu, Keyong; Huang, Yong; Pruvost, Jeremy; Legrand, Jack; Pilon, Laurent

2017-06-01

This study aims to quantify systematically the effect of non-absorbing cap-shaped droplets condensed on the backside of transparent windows on their directional-hemispherical transmittance and reflectance. Condensed water droplets have been blamed to reduce light transfer through windows in greenhouses, solar desalination plants, and photobioreactors. Here, the directional-hemispherical transmittance was predicted by Monte Carlo ray-tracing method. For the first time, both monodisperse and polydisperse droplets were considered, with contact angle between 0 and 180°, arranged either in an ordered hexagonal pattern or randomly distributed on the window backside with projected surface area coverage between 0 and 90%. The directional-hemispherical transmittance was found to be independent of the size and spatial distributions of the droplets. Instead, it depended on (i) the incident angle, (ii) the optical properties of the window and droplets, and on (iii) the droplet contact angle and (iv) projected surface area coverage. In fact, the directional-hemispherical transmittance decreased with increasing incident angle. Four optical regimes were identified in the normal-hemispherical transmittance. It was nearly constant for droplet contact angles either smaller than the critical angle θcr (predicted by Snell's law) for total internal reflection at the droplet/air interface or larger than 180°-θcr. However, between these critical contact angles, the normal-hemispherical transmittance decreased rapidly to reach a minimum at 90° and increased rapidly with increasing contact angles up to 180°-θcr. This was attributed to total internal reflection at the droplet/air interface which led to increasing reflectance. In addition, the normal-hemispherical transmittance increased slightly with increasing projected surface area coverage for contact angle was smaller than θcr. However, it decreased monotonously with increasing droplet projected surface area coverage for contact angle larger than θcr. These results can be used to select the material or surface coating with advantageous surface properties for applications when dropwise condensation may otherwise have a negative effect on light transmittance.

20 CFR 404.1263 - When fractional part of a cent may be disregarded-for wages paid prior to 1987.

Code of Federal Regulations, 2010 CFR

2010-04-01

... cent shall be used in computing the total of contributions. If a State Fails To Make Timely Payments... disregarded-for wages paid prior to 1987. 404.1263 Section 404.1263 Employees' Benefits SOCIAL SECURITY ADMINISTRATION FEDERAL OLD-AGE, SURVIVORS AND DISABILITY INSURANCE (1950- ) Coverage of Employees of State and...

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

Petrik, Nikolay G.; Henderson, Michael A.; Kimmel, Gregory A.

Angle-resolved photon stimulated desorption (PSD) combined with infrared reflection-adsorption spectroscopy and temperature programmed desorption reveal two distinct channels in the photochemistry of acetone on rutile TiO₂(110) surface. During UV irradiation of co-adsorbed oxygen and acetone molecules, methyl radicals (CH₃) are ejected in two different directions: i) normal to the surface and ii) off-normal at ~±66° to the surface normal in the azimuth (i.e. perpendicular to the rows of bridging oxygen and Ti atoms). Both components are relatively narrow and non-cosine, indicating non-thermal evolution of CH₃ radicals. The direction of the “off-normal” PSD component is consistent with orientation of the C–CH₃more » bonds in the n²-acetone diolate—a photoactive form of acetone chemisorption on the oxidized TiO₂(110) surface proposed earlier from experimental and theoretical studies. The direction of the “normal” PSD component requires an orientation of a C–CH₃ bond which is not consistent with the n²-acetone diolate structure. The angular distribution of the CH₃ PSD depends on the acetone coverage. The “off-normal” PSD component dominates at lower acetone coverage (< 0.2 ML), but does not increase at higher coverages in accord with the acetone diolate peak intensity in the infrared reflection-absorption spectra. The “normal” PSD component grows with the acetone coverage up to 0.6 ML. The newly discovered “normal” PSD channel is tentatively assigned to a photo-produced n²- acetone enolate as a potential precursor based on the H/D exchange experiments« less

Analysis on Temporal-Spatial Changes of Vegetation Cverrge in Farming-Pastoral Ecotone of Inner Mongolia

NASA Astrophysics Data System (ADS)

Yan, X.; Li, J.; Yang, Z.

2018-04-01

Chen Barag Banner is located in the typical farming-pastoral ecotone of Inner Mongolia, and it is also the core area of Hulunbuir steppe. Typical agricultural and pastoral staggered production mode so that the vegetation growth of the region not only determines the local ecological environment, and animal husbandry production, but also have a significant impact on the whole Hulunbuir ecological security and economic development. Therefore, it is necessary to monitor the change of vegetation in this area. Based on 17 MODIS Normalized Difference Vegetation Index (NDVI) images, the authors reconstructed the dynamic change characteristics of Fraction vegetation coverage (FVC) in Chen Barag Banner from 2000 to 2016. In this paper, first at all, Pixel Decomposition Models was introduced to inversion FVC, and the time series of vegetation coverage was reconstructed. Then we analyzed the temporal-spatial changes of FVC by employing transition matrix. Finally, through image analyzing and processing, the results showed that the vegetation coverage in the study area was influenced by effectors including climate, topography and human actives. In the past 17 years, the overall effect of vegetation coverage showed a downward trend of fluctuation. The average vegetation coverage decreased from 58.81 % in 2000 to 48.14 % in 2016, and the area of vegetation cover degradation accounts for 40.09 % of the total change area. Therefore, the overall degradation trend was obvious.

Error and Error Mitigation in Low-Coverage Genome Assemblies

PubMed Central

Hubisz, Melissa J.; Lin, Michael F.; Kellis, Manolis; Siepel, Adam

2011-01-01

The recent release of twenty-two new genome sequences has dramatically increased the data available for mammalian comparative genomics, but twenty of these new sequences are currently limited to ∼2× coverage. Here we examine the extent of sequencing error in these 2× assemblies, and its potential impact in downstream analyses. By comparing 2× assemblies with high-quality sequences from the ENCODE regions, we estimate the rate of sequencing error to be 1–4 errors per kilobase. While this error rate is fairly modest, sequencing error can still have surprising effects. For example, an apparent lineage-specific insertion in a coding region is more likely to reflect sequencing error than a true biological event, and the length distribution of coding indels is strongly distorted by error. We find that most errors are contributed by a small fraction of bases with low quality scores, in particular, by the ends of reads in regions of single-read coverage in the assembly. We explore several approaches for automatic sequencing error mitigation (SEM), making use of the localized nature of sequencing error, the fact that it is well predicted by quality scores, and information about errors that comes from comparisons across species. Our automatic methods for error mitigation cannot replace the need for additional sequencing, but they do allow substantial fractions of errors to be masked or eliminated at the cost of modest amounts of over-correction, and they can reduce the impact of error in downstream phylogenomic analyses. Our error-mitigated alignments are available for download. PMID:21340033

The influence of land cover on surface energy partitioning and evaporative fraction regimes in the U.S. Southern Great Plains

NASA Astrophysics Data System (ADS)

Bagley, Justin E.; Kueppers, Lara M.; Billesbach, Dave P.; Williams, Ian N.; Biraud, Sébastien C.; Torn, Margaret S.

2017-06-01

Land-atmosphere interactions are important to climate prediction, but the underlying effects of surface forcing of the atmosphere are not well understood. In the U.S. Southern Great Plains, grassland/pasture and winter wheat are the dominant land covers but have distinct growing periods that may differently influence land-atmosphere coupling during spring and summer. Variables that influence surface flux partitioning can change seasonally, depending on the state of local vegetation. Here we use surface observations from multiple sites in the U.S. Department of Energy Atmospheric Radiation Measurement Southern Great Plains Climate Research Facility and statistical modeling at a paired grassland/agricultural site within this facility to quantify land cover influence on surface energy balance and variables controlling evaporative fraction (latent heat flux normalized by the sum of sensible and latent heat fluxes). We demonstrate that the radiative balance and evaporative fraction are closely related to green leaf area at both winter wheat and grassland/pasture sites and that the early summer harvest of winter wheat abruptly shifts the relationship between evaporative fraction and surface state variables. Prior to harvest, evaporative fraction of winter wheat is strongly influenced by leaf area and soil-atmosphere temperature differences. After harvest, variations in soil moisture have a stronger effect on evaporative fraction. This is in contrast with grassland/pasture sites, where variation in green leaf area has a large influence on evaporative fraction throughout spring and summer, and changes in soil-atmosphere temperature difference and soil moisture are of relatively minor importance.

Desorption of polycyclic aromatic hydrocarbons from field-contaminated soil to a two-dimensional hydrophobic surface before and after bioremediation.

PubMed

Hu, Jing; Aitken, Michael D

2012-10-01

Dermal exposure can represent a significant health risk in settings involving potential contact with soil contaminated with polycyclic aromatic hydrocarbons (PAHs). However, there is limited work on the ability of PAHs in contaminated soil to reach the skin surface via desorption from the soil. We evaluated PAH desorption from a field-contaminated soil to a two-dimensional hydrophobic surface (C18 extraction disk) as a measure of potential dermal exposure as a function of soil loading (5-100 mg dry soil cm(-2)), temperature (20-40°C), and soil moisture content (2-40%) over periods up to 16d. The efficacy of bioremediation in removing the most readily desorbable PAH fractions was also evaluated. Desorption kinetics were described well by an empirical two-compartment kinetic model. PAH mass desorbed to the C18 disk kept increasing at soil loadings well above the estimated monolayer coverage, suggesting mechanisms for PAH transport to the surface other than by direct contact. Such mechanisms were reinforced by observations that desorption occurred even with dry or moist glass microfiber filters placed between the C18 disk and the soil. Desorption of all PAHs was substantially reduced at a soil moisture content corresponding to field capacity, suggesting that transport through pore air contributed to PAH transport to the C18 disk. The lower molecular weight PAHs had greater potential to desorb from soil than higher molecular weight PAHs. Biological treatment of the soil in a slurry-phase bioreactor completely eliminated PAH desorption to the C18 disks. Copyright © 2012 Elsevier Ltd. All rights reserved.

Desorption of polycyclic aromatic hydrocarbons from field-contaminated soil to a two-dimensional hydrophobic surface before and after bioremediation

PubMed Central

Hu, Jing; Aitken, Michael D.

2012-01-01

Dermal exposure can represent a significant health risk in settings involving potential contact with soil contaminated with polycyclic aromatic hydrocarbons (PAHs). However, there is limited work on the ability of PAHs in contaminated soil to reach the skin surface via desorption from the soil. We evaluated PAH desorption from a field-contaminated soil to a two-dimensional hydrophobic surface (C18 extraction disk) as a measure of potential dermal exposure as a function of soil loading (5 to 100 mg dry soil/cm2), temperature (20 °C to 40 °C), and soil moisture content (2% to 40%) over periods up to 16 d. The efficacy of bioremediation in removing the most readily desorbable PAH fractions was also evaluated. Desorption kinetics were described well by an empirical two-compartment kinetic model. PAH mass desorbed to the C18 disk kept increasing at soil loadings well above the estimated monolayer coverage, suggesting mechanisms for PAH transport to the surface other than by direct contact. Such mechanisms were reinforced by observations that desorption occurred even with dry or moist glass microfiber filters placed between the C18 disk and the soil. Desorption of all PAHs was substantially reduced at a soil moisture content corresponding to field capacity, suggesting that transport through pore air contributed to PAH transport to the C18 disk. The lower molecular weight PAHs had greater potential to desorb from soil than higher molecular weight PAHs. Biological treatment of the soil in a slurry-phase bioreactor completely eliminated PAH desorption to the C18 disks. PMID:22704210

The reactions of thiophene on Mo(110) and Mo(110)-p(2×2)-S

NASA Astrophysics Data System (ADS)

Roberts, Jeffrey T.; Friend, C. M.

1987-07-01

The reactions of thiophene and 2,5-dideuterothiophene on Mo(110) and Mo(110)-p(2×2)-S have been investigated under ultrahigh vacuum conditions using temperature programmed reaction spectroscopy and Auger electron spectroscopy. Thiophene chemisorbed on Mo(110) decomposes during temperature programmed reaction to yield only gaseous dihydrogen, surface carbon, and surface sulfur. At low thiophene exposures, dihydrogen evolves from Mo(110) in a symmetric peak at 440 K. At saturation exposures, three dihydrogen peaks are detected at 360 K, at 420 K and at 565 K. Multilayers of thiophene desorb at 180 K. Temperature programmed reaction of 2,5-dideuterothiophene demonstrates that at high thiophene coverages, one of the α-C-H bonds (those nearest sulfur) breaks first. No bond breaking selectivity is observed at low thiophene exposures. The Mo(110)-p(2×2)-S surface is less active for thiophene decomposition. Thiophene adsorbed on Mo(110)-p(2×2)-S to low coverages decomposes to surface carbon surface sulfur, and hydrogen at 430 K. At reaction saturation, dihydrogen production is observed at 375 and 570 K. In addition, at moderate and high exposures, chemisorbed thiophene desorbs from Mo(110)-p(2×2)-S. At saturation the desorption temperature of the reversibly chemisorbed state is 215 K. Experiments with 2,5-dideuterothiophene demonstrate no surface selectivity for α-C-H bond breaking reactions on Mo(110)-p(2×2)-S. The decomposition mechanism and energetics of thiophene decomposition are proposed to be dependent on the coverage of thiophene. At low thiophene exposures, the ring is proposed to bond parallel to the surface. All C-H bonds in the parallel geometry are sterically available for activation by the surface, accounting for the lack of selectivity in C-H bond breaking. High thiophene coverages are suggested to result in perpendicularly bound thiophene which undergoes selective α-dehydrogenation to an α)-thiophenyl intermediate. The presence of sulfur leads to a high energy pathway for cleavage of C-H bonds in a thiophene derived intermediate. Carbon-hydrogen bonds survive on the surface up to temperatures of 650 K. Comparison of this study with work on Mo(100) demonstrates that the reaction of thiophene on molybdenum is relatively insensitive to the surface geometric structure.

A Study of the Mechanism of the Hydrogen Evolution Reaction on Nickel by Surface Interrogation Scanning Electrochemical Microscopy.

PubMed

Liang, Zhenxing; Ahn, Hyun S; Bard, Allen J

2017-04-05

The hydrogen evolution reaction (HER) on Ni in alkaline media was investigated by scanning electrochemical microscopy under two operating modes. First, the substrate generation/tip collection mode was employed to extract the "true" cathodic current associated with the HER from the total current in the polarization curve. Compared to metallic Ni, the electrocatalytic activity of the HER is improved in the presence of the low-valence-state oxide of Ni. This result is in agreement with a previous claim that the dissociative adsorption of water can be enhanced at the Ni/Ni oxide interface. Second, the surface-interrogation scanning electrochemical microscopy (SI-SECM) mode was used to directly measure the coverage of the adsorbed hydrogen on Ni at given potentials. Simulation indicates that the hydrogen coverage follows a Frumkin isotherm with respect to the applied potential. On the basis of the combined analysis of the Tafel slope and surface hydrogen coverage, the rate-determining step is suggested to be the adsorption of hydrogen (Volmer step) in the investigated potential window.

Pāhoehoe flow cooling, discharge, and coverage rates from thermal image chronometry

USGS Publications Warehouse

Dehn, Jonathan; Hamilton, Christopher M.; Harris, A. J. L.; Herd, Richard A.; James, M.R.; Lodato, Luigi; Steffke, Andrea

2007-01-01

Theoretically- and empirically-derived cooling rates for active pāhoehoe lava flows show that surface cooling is controlled by conductive heat loss through a crust that is thickening with the square root of time. The model is based on a linear relationship that links log(time) with surface cooling. This predictable cooling behavior can be used assess the age of recently emplaced sheet flows from their surface temperatures. Using a single thermal image, or image mosaic, this allows quantification of the variation in areal coverage rates and lava discharge rates over 48 hour periods prior to image capture. For pāhoehoe sheet flow at Kīlauea (Hawai`i) this gives coverage rates of 1–5 m2/min at discharge rates of 0.01–0.05 m3/s, increasing to ∼40 m2/min at 0.4–0.5 m3/s. Our thermal chronometry approach represents a quick and easy method of tracking flow advance over a three-day period using a single, thermal snap-shot.

Characterizing Arctic sea ice topography and atmospheric form drag using high-resolution IceBridge data

NASA Astrophysics Data System (ADS)

Petty, A.; Tsamados, M.; Kurtz, N. T.; Farrell, S. L.; Newman, T.; Harbeck, J.; Feltham, D. L.; Richter-Menge, J.

2015-12-01

Here we present a detailed analysis of Arctic sea ice topography using high resolution, three-dimensional surface elevation data from the NASA Operation IceBridge Airborne Topographic Mapper (ATM) laser altimeter. We derive novel ice topography statistics from 2009-2014 across both first-year and multiyear ice regimes - including the height, area coverage, orientation and spacing of distinct surface features. The sea ice topography exhibits strong spatial variability, including increased surface feature (e.g. pressure ridge) height and area coverage within the multi-year ice regions. The ice topography also shows a strong coastal dependency, with the feature height and area coverage increasing as a function of proximity to the nearest coastline, especially north of Greenland and the Canadian Archipelago. The ice topography data have also been used to explicitly calculate atmospheric drag coefficients over Arctic sea ice; utilizing existing relationships regarding ridge geometry and their impact on form drag. The results are being used to calibrate the recent drag parameterization scheme included in the sea ice model CICE.

Radar and optical remote sensing in offshore domain to detect, characterize, and quantify ocean surface oil slicks

NASA Astrophysics Data System (ADS)

Angelliaume, S.; Ceamanos, X.; Viallefont-Robinet, F.; Baqué, R.; Déliot, Ph.; Miegebielle, V.

2017-10-01

Radar and optical sensors are operationally used by authorities or petroleum companies for detecting and characterizing maritime pollution. The interest lies not only in exploration but also in the monitoring of the maritime environment. Occurrence of natural seeps on the sea surface is a key indicator of the presence of mature source rock in the subsurface. These natural seeps, as well as the oil slicks, are commonly detected using radar sensors but the addition of optical imagery can deliver extra information such as the oil real fraction, which is critical for both exploration purposes and efficient cleanup operations. Today state-of-the-art approaches combine multiple data collected by optical and radar sensors embedded on-board different airborne and spaceborne platforms, to ensure wide spatial coverage and high frequency revisit time. Multi-wavelength imaging system may create a breakthrough in remote sensing applications, but it requires adapted processing techniques that need to be developed. To explore performances offered by multi-wavelength radar and optical sensors for oil slick monitoring, remote sensing data have been collected by SETHI, the airborne system developed by ONERA, during an oil spill cleanup exercise carried out in 2015 in the North Sea, Europe. The uniqueness of this data set lies in its high spatial resolution, low noise level and quasi-simultaneous acquisitions of different part of the electromagnetic spectrum. Specific processing techniques have been developed in order to extract meaningful information associated with oil-covered sea surface. Analysis of this unique and rich dataset demonstrates that remote sensing imagery, collected in both optical and microwave domains, allows to estimate slick surface properties such as the spatial abundance of oil and the relative concentration of hydrocarbons on the sea surface.

Albedo, Land Cover, and Daytime Surface Temperature Variation Across an Urbanized Landscape

NASA Astrophysics Data System (ADS)

Trlica, A.; Hutyra, L. R.; Schaaf, C. L.; Erb, A.; Wang, J. A.

2017-11-01

Land surface albedo is a key parameter controlling the local energy budget, and altering the albedo of built surfaces has been proposed as a tool to mitigate high near-surface temperatures in the urban heat island. However, most research on albedo in urban landscapes has used coarse-resolution data, and few studies have attempted to relate albedo to other urban land cover characteristics. This study provides an empirical description of urban summertime albedo using 30 m remote sensing measurements in the metropolitan area around Boston, Massachusetts, relating albedo to metrics of impervious cover fraction, tree canopy coverage, population density, and land surface temperature (LST). At 30 m spatial resolution, median albedo over the study area (excluding open water) was 0.152 (0.112-0.187). Trends of lower albedo with increasing urbanization metrics and temperature emerged only after aggregating data to 500 m or the boundaries of individual towns, at which scale a -0.01 change in albedo was associated with a 29 (25-35)% decrease in canopy cover, a 27 (24-30)% increase in impervious cover, and an increase in population from 11 to 386 km-2. The most intensively urbanized towns in the region showed albedo up to 0.035 lower than the least urbanized towns, and mean mid-morning LST 12.6°C higher. Trends in albedo derived from 500 m Moderate Resolution Imaging Spectroradiometer (MODIS) measurements were comparable, but indicated a strong contribution of open water at this coarser resolution. These results reveal linkages between albedo and urban land cover character, and offer empirical context for climate resilient planning and future landscape functional changes with urbanization.

MISR Level 2 TOA/Cloud Classifier parameters (MIL2TCCL_V2)

NASA Technical Reports Server (NTRS)

Diner, David J. (Principal Investigator)

The TOA/Cloud Classifiers contain the Angular Signature Cloud Mask (ASCM), a scene classifier calculated using support vector machine technology (SVM) both of which are on a 1.1 km grid, and cloud fractions at 17.6 km resolution that are available in different height bins (low, middle, high) and are also calculated on an angle-by-angle basis. [Location=GLOBAL] [Temporal_Coverage: Start_Date=2000-02-24; Stop_Date=] [Spatial_Coverage: Southernmost_Latitude=-90; Northernmost_Latitude=90; Westernmost_Longitude=-180; Easternmost_Longitude=180] [Data_Resolution: Latitude_Resolution=17.6 km; Longitude_Resolution=17.6 km; Horizontal_Resolution_Range=10 km - < 50 km or approximately .09 degree - < .5 degree; Temporal_Resolution=about 15 orbits/day; Temporal_Resolution_Range=Daily - < Weekly, Daily - < Weekly].

Growth of Au on Ni(110): A Semiempirical Modeling of Surface Alloy Phases

NASA Technical Reports Server (NTRS)

Bozzolo, Guillermo; Ibanez-Meier, Rodrigo; Ferrante, John

1995-01-01

Recent experiments using scanning tunneling microscopy show evidence for the formation of surface alloys of otherwise immiscible metals. Such is the case for Au deposited in Ni(110), where experiments by Pleth Nielsen el al.indicate that at low Au coverage (less than 0. 5 ML), Au atoms replace Ni atoms in the surface layer forming a surface alloy while the Ni atoms form islands on the surface. In this paper, we present results of a theoretical modeling of this phenomenon using the recently developed Bozzolo-Ferrante-Smith method for alloys. We provide results of an extensive analysis of the growth process that strongly support the conclusions drawn from the experiment: at very low coverages, there is a tendency for dimer formation on the overlayer, which later exchange positions with Ni atoms in the surface layer, thus accounting for the large number of substituted dimers. Ni island formation as well as other alternative short-range-order patterns are discussed.

Surface roughness formation during shot peen forming

NASA Astrophysics Data System (ADS)

Koltsov, V. P.; Vinh, Le Tri; Starodubtseva, D. A.

2018-03-01

Shot peen forming (SPF) is used for forming panels and skins, and for hardening. As a rule, shot peen forming is performed after milling. Surface roughness is a complex structure, a combination of an original microrelief and shot peen forming indentations of different depths and chaotic distribution along the surface. As far as shot peen forming is a random process, surface roughness resulted from milling and shot peen forming is random too. During roughness monitoring, it is difficult to determine the basic surface area which would ensure accurate results. It can be assumed that the basic area depends on the random roughness which is characterized by the degree of shot peen forming coverage. The analysis of depth and shot peen forming indentations distribution along the surface made it possible to identify the shift of an original center profile plane and create a mathematical model for the arithmetic mean deviation of the profile. Experimental testing proved model validity and determined an inversely proportional dependency of the basic area on the degree of coverage.

Polymer brush covalently attached to OH-functionalized mica surface via surface-initiated ATRP: control of grafting density and polymer chain length.

PubMed

Lego, Béatrice; François, Marion; Skene, W G; Giasson, Suzanne

2009-05-05

The controlled grafting density of poly(tert-butyl acrylate) was studied on OH-activated mica substrates via surface-initiated atom-transfer radical polymerization (ATRP). By properly adjusting parameters such as the immobilization reaction time and the concentration of an ATRP initiator, a wide range of initiator surface coverages and hence polymer densities on mica were possible. The covalently immobilized initiator successfully promoted the polymerization of tert-butyl acrylate on mica surfaces. The resulting polymer layer thickness was measured by AFM using a step-height method. Linear relationships of the polymer thickness with respect to the molecular weight of the free polymer and with respect to the monomer conversion were observed, suggesting that ATRP is well controlled and relatively densely end-grafted layers were obtained. The polymer grafting density controlled by adjusting the initiator surface coverage was confirmed by the polymer layer swelling capacity and film thickness measurements.

A simple model for the evolution of melt pond coverage on permeable Arctic sea ice

NASA Astrophysics Data System (ADS)

Popović, Predrag; Abbot, Dorian

2017-05-01

As the melt season progresses, sea ice in the Arctic often becomes permeable enough to allow for nearly complete drainage of meltwater that has collected on the ice surface. Melt ponds that remain after drainage are hydraulically connected to the ocean and correspond to regions of sea ice whose surface is below sea level. We present a simple model for the evolution of melt pond coverage on such permeable sea ice floes in which we allow for spatially varying ice melt rates and assume the whole floe is in hydrostatic balance. The model is represented by two simple ordinary differential equations, where the rate of change of pond coverage depends on the pond coverage. All the physical parameters of the system are summarized by four strengths that control the relative importance of the terms in the equations. The model both fits observations and allows us to understand the behavior of melt ponds in a way that is often not possible with more complex models. Examples of insights we can gain from the model are that (1) the pond growth rate is more sensitive to changes in bare sea ice albedo than changes in pond albedo, (2) ponds grow slower on smoother ice, and (3) ponds respond strongest to freeboard sinking on first-year ice and sidewall melting on multiyear ice. We also show that under a global warming scenario, pond coverage would increase, decreasing the overall ice albedo and leading to ice thinning that is likely comparable to thinning due to direct forcing. Since melt pond coverage is one of the key parameters controlling the albedo of sea ice, understanding the mechanisms that control the distribution of pond coverage will help improve large-scale model parameterizations and sea ice forecasts in a warming climate.

Rough surfaces: Is the dark stuff just shadow?. ;Who knows what evil lurks in the hearts of men? The shadow knows!;☆

NASA Astrophysics Data System (ADS)

Cuzzi, Jeffrey N.; Chambers, Lindsey B.; Hendrix, Amanda R.

2017-06-01

Remote observations of the surfaces of airless planetary objects are fundamental to inferring the physical structure and compositional makeup of the surface material. A number of forward models have been developed to reproduce the photometric behavior of these surfaces, based on specific, assumed structural properties such as macroscopic roughness and associated shadowing. Most work of this type is applied to geometric albedos, which are affected by complicated effects near zero phase angle that represent only a tiny fraction of the net energy reflected by the object. Other applications include parameter fits to resolved portions of some planetary surface as viewed over a range of geometries. The spherical albedo of the entire object (when it can be determined) captures the net energy balance of the particle more robustly than the geometric albedo. In most treatments involving spherical albedos, spherical albedos and particle phase functions are often treated as if they are independent, neglecting the effects of roughness. In this paper we take a different approach. We note that whatever function captures the phase angle dependence of the brightness of a realistic rough, shadowed, flat surface element relative to that of a smooth granular surface of the same material, it is manifested directly in both the integral phase function and the spherical albedo of the object. We suggest that, where broad phase angle coverage is possible, spherical albedos may be easily corrected for the effects of shadowing using observed (or assumed) phase functions, and then modeled more robustly using smooth-surface regolith radiative transfer models without further imposed (forward-modeled) shadowing corrections. Our approach attributes observed "powerlaw" phase functions of various slope (and "linear" ranges of magnitude-vs.-phase angle) to shadowing, as have others, and goes in to suggest that regolith-model-based inferences of composition based on shadow-uncorrected spherical albedos overestimate the amount of absorbing material contained in the regolith.

Rough Surfaces: Is the Dark Stuff Just Shadow?: "Who knows what evil lurks in the hearts of men? The shadow knows!"

NASA Technical Reports Server (NTRS)

Cuzzi, Jeffrey N.; Chambers, Lindsey B.; Hendrix, Amanda R.

2016-01-01

Remote observations of the surfaces of airless planetary objects are fundamental to inferring the physical structure and compositional makeup of the surface material. A number of forward models have been developed to reproduce the photometric behavior of these surfaces, based on specific, assumed structural properties such as macroscopic roughness and associated shadowing. Most work of this type is applied to geometric albedos, which are affected by complicated effects near zero phase angle that represent only a tiny fraction of the net energy reflected by the object. Other applications include parameter fits to resolved portions of some planetary surface as viewed over a range of geometries. The spherical albedo of the entire object (when it can be determined) captures the net energy balance of the particle more robustly than the geometric albedo. In most treatments involving spherical albedos, spherical albedos and particle phase functions are often treated as if they are independent, neglecting the effects of roughness. In this paper we take a different approach. We note that whatever function captures the phase angle dependence of the brightness of a realistic rough, shadowed, flat surface element relative to that of a smooth granular surface of the same material, it is manifested directly in both the integral phase function and the spherical albedo of the object. We suggest that, where broad phase angle coverage is possible, spherical albedos may be easily corrected for the effects of shadowing using observed (or assumed) phase functions, and then modeled more robustly using smooth-surface regolith radiative transfer models without further imposed (forward-modeled) shadowing corrections. Our approach attributes observed "power law" phase functions of various slope (and "linear" ranges of magnitude-vs.-phase angle) to shadowing, as have others, and goes on to suggest that regolith-model-based inferences of composition based on shadow-uncorrected spherical albedos overestimate the amount of absorbing material contained in the regolith.

Bimodal Albedo Distributions in the Ablation Zone of the Southwestern Greenland Ice Sheet

NASA Astrophysics Data System (ADS)

Moustafa, S.; Rennermalm, A. K.; Smith, L. C.; Miller, M. A.; Mioduszewski, J.; Koenig, L.

2014-12-01

Surface albedo is a key variable controlling solar radiation absorbed at the Greenland Ice Sheet (GrIS) surface, and thus meltwater production. Recent decline in surface albedo over the GrIS has been linked to enhanced snow grain metamorphic rates and amplified ice-albedo feedback from atmospheric warming. However, the importance of distinct surface types on ablation zone albedo and meltwater production is still relatively unknown, and excluded in surface mass balance models. In this study, we analyze albedo and ablation rates (m d-1) using in situ and remotely-sensed data. Observations include: 1) a new high-quality in situ spectral albedo dataset collected with an Analytical Spectral Devices (ASD) spectroradiometer measuring at 325-1075 nm, along a 1.25 km transect during three days in June 2013; 2) broadband albedo at two automatic weather stations; and 3) daily MODerate Resolution Imaging Spectroradiometer (MODIS) albedo (MOD10A1) between 31 May and 30 August. We find that seasonal ablation zone albedos have a bimodal distribution, with two alternate states. This suggests that an abrupt switch from high to low albedo can be triggered by a modest melt event, resulting in amplified ablation rates. Our results show that such a shift corresponds to an observed melt rate percent difference increase of 51.6% during peak melt season (between 10-14 July and 20-24 July, 2013). Furthermore, our findings demonstrate that seasonal changes in GrIS ablation zone albedo are not exclusively a function of a darkening surface from ice crystal growth, but rather are controlled by changes in the fractional coverage of snow, bare ice, and impurity-rich surface types. As the climate continues to warm, regional climate models should consider the seasonal evolution of ice surface types in Greenland's ablation zone to improve projections of mass loss contributions to sea level rise.

SU-G-BRA-16: Target Dose Comparison for Dynamic MLC Tracking and Mid- Ventilation Planning in Lung Radiotherapy Subject to Intrafractional Baseline Drifts

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

Menten, MJ; Fast, MF; Nill, S

Purpose: Lung tumor motion during radiotherapy can be accounted for by expanded treatment margins, for example using a mid-ventilation planning approach, or by localizing the tumor in real-time and adapting the treatment beam with multileaf collimator (MLC) tracking. This study evaluates the effect of intrafractional changes in the average tumor position (baseline drifts) on these two treatment techniques. Methods: Lung stereotactic treatment plans (9-beam IMRT, 54Gy/3 fractions, mean treatment time: 9.63min) were generated for three patients: either for delivery with MLC tracking (isotropic GTV-to-PTV margin: 2.6mm) or planned with a mid-ventilation approach and delivered without online motion compensation (GTV-to-PTV margin:more » 4.4-6.3mm). Delivery to a breathing patient was simulated using DynaTrack, our in-house tracking and delivery software. Baseline drifts in cranial and posterior direction were simulated at a rate of 0.5, 1.0 or 1.5mm/min. For dose reconstruction, the corresponding 4DCT phase was selected for each time point of the delivery. Baseline drifts were accounted for by rigidly shifting the CT to ensure correct relative beam-to-target positioning. Afterwards, the doses delivered to each 4DCT phase were accumulated deformably on the mid-ventilation phase using research RayStation v4.6 and dose coverage of the GTV was evaluated. Results: When using the mid-ventilation planning approach, dose coverage of the tumor deteriorated substantially in the presence of baseline drifts. The reduction in D98% coverage of the GTV in a single fraction ranged from 0.4-1.2, 0.6-3.3 and 4.5-6.2Gy, respectively, for the different drift rates. With MLC tracking the GTV D98% coverage remained unchanged (+/− 0.1Gy) regardless of drift. Conclusion: Intrafractional baseline drifts reduce the tumor dose in treatments based on mid-ventilation planning. In rare, large target baseline drifts tumor dose coverage may drop below the prescription, potentially affecting clinical outcome in hypofractionated treatment protocols. Dynamic MLC tracking preserves tumor dose coverage even in the presence of extreme baseline drifts. We acknowledge financial and technical support of the MLC tracking research from Elekta AB. Research at ICR is supported by CRUK under Programme C33589/A19727 and NHS funding to the NIHR Biomedical Research Centre at RMH and ICR. MFF is supported by CRUK under Programme C33589/A19908.« less

Finding Blackbody Temperature and Emissivity on a Sub-Pixel Scale

NASA Astrophysics Data System (ADS)

Bernstein, D. J.; Bausell, J.; Grigsby, S.; Kudela, R. M.

2015-12-01

Surface temperature and emissivity provide important insight into the ecosystem being remotely sensed. Dozier (1981) proposed a an algorithm to solve for percent coverage and temperatures of two different surface types (e.g. sea surface, cloud cover, etc.) within a given pixel, with a constant value for emissivity assumed. Here we build on Dozier (1981) by proposing an algorithm that solves for both temperature and emissivity of a water body within a satellite pixel by assuming known percent coverage of surface types within the pixel. Our algorithm generates thermal infrared (TIR) and emissivity end-member spectra for the two surface types. Our algorithm then superposes these end-member spectra on emissivity and TIR spectra emitted from four pixels with varying percent coverage of different surface types. The algorithm was tested preliminarily (48 iterations) using simulated pixels containing more than one surface type, with temperature and emissivity percent errors of ranging from 0 to 1.071% and 2.516 to 15.311% respectively[1]. We then tested the algorithm using a MASTER image from MASTER collected as part of the NASA Student Airborne Research Program (NASA SARP). Here the temperature of water was calculated to be within 0.22 K of in situ data. The algorithm calculated emissivity of water with an accuracy of 0.13 to 1.53% error for Salton Sea pixels collected with MASTER, also collected as part of NASA SARP. This method could improve retrievals for the HyspIRI sensor. [1] Percent error for emissivity was generated by averaging percent error across all selected bands widths.

Adsorption and Dissociation of CO2 on Ru(0001)

PubMed Central

2017-01-01

The adsorption and dissociation of carbon dioxide on a Ru(0001) single crystal surface was investigated by reflection–absorption infrared spectroscopy (RAIRS) and temperature-programmed desorption (TPD) spectroscopy for CO2 adsorbed at 85 K. RAIRS spectroscopy shows that the adsorption of CO2 on a Ru(0001) single crystal is partially dissociative, resulting in CO2 and CO. The CO vibrational mode was also observed to split into two distinct modes, indicating two general populations of CO present at the surface. Furthermore, a time-dependent blue-shift is observed, which is characteristic of increasing CO surface coverage. TPD showed that coverages of up to 0.3 ML were obtained, and no evidence for chemisorption of oxygen on ruthenium was found. PMID:28413569

Exploring the effect of oxygen coverage on the electronic, magnetic and chemical properties of Ni(111) supported h-BN sheet: A density functional study

NASA Astrophysics Data System (ADS)

Wasey, A. H. M. Abdul; Das, G. P.; Majumder, C.

2017-05-01

Traditionally, h-BN is used as coating material to prevent corrosion on the metal surface. In sharp contrast to this, here we show catalytic behavior of h-BN monolayer deposited on Ni(111) surface, clearly demonstrating the influence of the support in modulation of h-BN electronic structure. Using first principles density functional theory we have studied the interaction of O2 molecules with the h-BN/Ni(111) surface. The activation of Osbnd O bond, which is the most important step for oxidative catalysis, showed dependence on the O2 coverage. Thus this study is extremely important to predict the optimum O2 pressure in reaction chamber for efficient catalysis.

Influence of matrix and filler fraction on biofilm formation on the surface of experimental resin-based composites.

PubMed

Ionescu, Andrei; Brambilla, Eugenio; Wastl, Daniel S; Giessibl, Franz J; Cazzaniga, Gloria; Schneider-Feyrer, Sibylle; Hahnel, Sebastian

2015-01-01

The aim of this study was to investigate the impact of resin matrix chemistry and filler fraction on biofilm formation on the surface of experimental resin-based composites (RBCs). Specimens were prepared from eight experimental RBC formulations differing in resin matrix blend (BisGMA/TEGDMA in a 7:3 wt% ratio or UDMA/aliphatic dimethacrylate in a 1:1 wt% ratio) and filler fraction (no fillers; 65 wt% dental glass with an average diameter of 7 or 0.7 µm or 65 wt% SiO2 with an average diameter of 20 nm). Surface roughness, surface free energy, and chemical surface composition were determined; surface topography was visualized using atomic force microscopy. Biofilm formation was simulated under continuous flow conditions for a 48 h period using a monospecies Streptococcus mutans and a multispecies biofilm model. In the monospecies biofilm model, the impact of the filler fraction overruled the influence of the resin matrix, indicating lowest biofilm formation on RBCs with nano-scaled filler particles and those manufactured from the neat resin blends. The multispecies model suggested a more pronounced effect of the resin matrix blend, as significantly higher biofilm formation was identified on RBCs with a UDMA/dimethacrylate matrix blend than on those including a BisGMA/TEGDMA matrix blend but analogous filler fractions. Although significant differences in surface properties between the various materials were identified, correlations between the surface properties and biofilm formation were poor, which highlights the relevance of surface topography and chemistry. These results may help to tailor novel RBC formulations which feature reduced biofilm formation on their surface.

Quad-Tree Visual-Calculus Analysis of Satellite Coverage

NASA Technical Reports Server (NTRS)

Lo, Martin W.; Hockney, George; Kwan, Bruce

2003-01-01

An improved method of analysis of coverage of areas of the Earth by a constellation of radio-communication or scientific-observation satellites has been developed. This method is intended to supplant an older method in which the global-coverage-analysis problem is solved from a ground-to-satellite perspective. The present method provides for rapid and efficient analysis. This method is derived from a satellite-to-ground perspective and involves a unique combination of two techniques for multiresolution representation of map features on the surface of a sphere.

Compositional evidence regarding the origins of rims on Semarkona chondrules

USGS Publications Warehouse

Grossman, J.N.; Wasson, J.T.

1987-01-01

The compositions of the interiors and abraded surfaces of 7 chondrules from Semarkona (LL3.0) were measured by neutron activation analysis. For nonvolatile elements, the lithophile and siderophile element abundance patterns in the surfaces are generally similar to those in the corresponding interiors. Siderophile and chalcophile concentrations are much higher in the surfaces, whereas lithophile concentrations are similar in both fractions. Most of the similarities in lithophile patterns and some of the similarities in siderophile patterns between surfaces and interiors may reflect incomplete separation of the fractions in the laboratory, but for 3 or 4 chondrules the siderophile resemblance is inherent, implying that the surface and interior metal formed from a single precursor assemblage. Metal and sulfide-rich chondrule rims probably formed when droplets of these phases that migrated to the chondrule surface during melting were reheated and incorporated into matrix-like material that had accreted onto the surface. The moderately-volatile to volatile elements K, As and Zn tend to be enriched in the surfaces compared with other elements of similar mineral affinity; both enrichments and depletions are observed for other moderately volatile elements. A small fraction of chondrules experienced fractional evaporation while they were molten. ?? 1987.

Full-coverage film cooling: 3-dimensional measurements of turbulence structure and prediction of recovery region hydrodynamics

NASA Technical Reports Server (NTRS)

Yavuzkurt, S.; Moffat, R. J.; Kays, W. M.

1979-01-01

Hydrodynamic measurements were made with a triaxial hot-wire in the full-coverage region and the recovery region following an array of injection holes inclined downstream, at 30 degrees to the surface. The data were taken under isothermal conditions at ambient temperature and pressure for two blowing ratios: M = 0.9 and M = 0.4. Profiles of the three main velocity components and the six Reynolds stresses were obtained at several spanwise positions at each of the five locations down the test plate. A one-equation model of turbulence (using turbulent kinetic energy with an algebraic mixing length) was used in a two-dimensional computer program to predict the mean velocity and turbulent kinetic energy profiles in the recovery region. A new real-time hotwire scheme was developed to make measurements in the three-dimensional turbulent boundary layer over the full-coverage surface.

Formation of Molecular Networks: Tailored Quantum Boxes and Behavior of Adsorbed CO in Them

NASA Astrophysics Data System (ADS)

Wyrick, Jon; Sun, Dezheng; Kim, Dae-Ho; Cheng, Zhihai; Lu, Wenhao; Zhu, Yeming; Luo, Miaomiao; Kim, Yong Su; Rotenberg, Eli; Kim, Kwangmoo; Einstein, T. L.; Bartels, Ludwig

2011-03-01

We show that the behavior of CO adsorbed into the pores of large regular networks on Cu(111) is significantly affected by their nano-scale lateral confinement and that formation of the networks themselves is directed by the Shockley surface state. Saturation coverages of CO are found to exhibit persistent dislocation lines; at lower coverages their mobility increases. Individual CO within the pores titrate the surface state, providing crucial information for understanding formation of the network as a result of optimization of the number N of electrons bound within each pore. Determination of N is based on quinone-coverage-dependent UPS data and an analysis of states of particles in a pore-shaped box (verified by CO's titration); a wide range of possible pore shapes and sizes has been considered. Work at UCR supported by NSF CHE 07-49949; at UMD by NSF CHE 07-50334 & UMD NSF-MRSEC DMR 05-20471.

Implications of MOLA Global Roughness, Statistics, and Topography

NASA Technical Reports Server (NTRS)

Aharonson, O.; Zuber, M. T.; Neumann, G. A.

1999-01-01

New insights are emerging as the ongoing high-quality measurements of the Martian surface topography by Mars Orbiter Laser Altimeter (MOLA) on board the Mars Global Surveyor (MGS) spacecraft increase in coverage, resolution, and diversity. For the first time, a global characterization of the statistical properties of topography is possible. The data were collected during the aerobreaking hiatus, science phasing, and mapping orbits of MGS, and have a resolution of 300-400 m along track, a range resolution of 37.5 cm, a range precision of 1-10 m for surface slopes up to 30 deg., and an absolute accuracy of topography of 13 m. The spacecraft's orbit inclination dictates that nadir observations have latitude coverage of about 87.1S to 87.1N; the addition of observations obtained during a period of off-nadir pointing over the north pole extended coverage to 90N. Additional information is contained in the original extended abstract.

Bi-functional ion exchangers for enhanced performance of dye-sensitized solar cells.

PubMed

Kong, Eui-Hyun; Chang, Yong-June; Lim, Jongchul; Kim, Back-Hyun; Lee, Jung-Hoon; Kwon, Do-Kyun; Park, Taiho; Jang, Hyun Myung

2013-07-28

Ion exchange using aerosol OT (AOT) offers dye adsorption twice as fast as known methods. Moreover, it suppresses the dye-agglomeration that may cause insufficient dye-coverage on the photoelectrode surface. Consequently, its dual function of fast dye-loading and higher dye-coverage significantly improves the power conversion efficiency of dye-sensitized solar cells.

Continuous strife for better coverage and more details in ocean surface winds measurements - from Midori and ADEOS-2 to GCOM

NASA Technical Reports Server (NTRS)

Xie, X.; Liu, W.; Hu, H.; Tang, W.

2001-01-01

The series of joint U.S.-Japan spaceborne scatterometers missions to provide continuous measurements of ocean wind vectors is reviewed. Examples of the scientific impact of the continuous effort in improving spatial resolution and coverage are provided. The plan for the future is reviewed.

Land-atmosphere coupling manifested in warm-season observations on the U.S. southern great plains

DOE PAGES

Phillips, Thomas J.; Klein, Stephen A.

2014-01-28

This study examines several observational aspects of land-atmosphere coupling on daily average time scales during warm seasons of the years 1997 to 2008 at the Department of Energy Atmospheric Radiation Measurement Program’s Southern Great Plains (SGP) Central Facility site near Lamont, Oklahoma. Characteristics of the local land-atmosphere coupling are inferred by analyzing the covariability of selected land and atmospheric variables that include precipitation and soil moisture, surface air temperature, relative humidity, radiant and turbulent fluxes, as well as low-level cloud base height and fractional coverage. For both the energetic and hydrological aspects of this coupling, it is found that large-scalemore » atmospheric forcings predominate, with local feedbacks of the land on the atmosphere being comparatively small much of the time. The weak land feedbacks are manifested by 1) the inability of soil moisture to comprehensively impact the coupled land-atmosphere energetics, and 2) the limited recycling of local surface moisture under conditions where most of the rainfall derives from convective cells that originate at remote locations. There is some evidence, nevertheless, of the local land feedback becoming stronger as the soil dries out in the aftermath of precipitation events, or on days when the local boundary-layer clouds are influenced by thermal updrafts known to be associated with convection originating at the surface. Finally, we also discuss potential implications of these results for climate-model representation of regional land-atmosphere coupling.« less

Chemical data assimilation of geostationary aerosol optical depth and PM surface observations on regional aerosol modeling over the Korean Peninsula during KORUS-AQ campaign

NASA Astrophysics Data System (ADS)

Jung, J.; Choi, Y.; Souri, A.; Jeon, W.

2017-12-01

Particle matter(PM) has played a significantly deleterious role in affecting human health and climate. Recently, continuous high concentrations of PM in Korea attracted public attention to this critical issue, and the Korea-United States Air Quality Study(KORUS-AQ) campaign in 2016 was conducted to investigate the causes. For this study, we adjusted the initial conditions in the chemical transport model(CTM) to improve its performance over Korean Peninsula during KORUS-AQ period, using the campaign data to evaluate our model performance. We used the Optimal Interpolation(OI) approach and used hourly surface air quality measurement data from the Air Quality Monitoring Station(AQMS) by NIER and the aerosol optical depth(AOD) measured by a GOCI sensor from the geostationary orbit onboard the Communication Ocean and Meteorological Satellite(COMS). The AOD at 550nm has a 6km spatial resolution and broad coverage over East Asia. After assimilating the surface air quality observation data, the model accuracy significantly improved compared to base model result (without assimilation). It reported very high correlation value (0.98) and considerably decreased mean bias. Especially, it well captured some high peaks which was underpredicted by the base model. To assimilate satellite data, we applied AOD scaling factors to quantify each specie's contribution to total PM concentration and find-mode fraction(FMF) to define vertical distribution. Finally, the improvement showed fairly good agreement.

Nonphotosynthetic Pigments as Potential Biosignatures

PubMed Central

Cockell, Charles S.; Meadows, Victoria S.

2015-01-01

Abstract Previous work on possible surface reflectance biosignatures for Earth-like planets has typically focused on analogues to spectral features produced by photosynthetic organisms on Earth, such as the vegetation red edge. Although oxygenic photosynthesis, facilitated by pigments evolved to capture photons, is the dominant metabolism on our planet, pigmentation has evolved for multiple purposes to adapt organisms to their environment. We present an interdisciplinary study of the diversity and detectability of nonphotosynthetic pigments as biosignatures, which includes a description of environments that host nonphotosynthetic biologically pigmented surfaces, and a lab-based experimental analysis of the spectral and broadband color diversity of pigmented organisms on Earth. We test the utility of broadband color to distinguish between Earth-like planets with significant coverage of nonphotosynthetic pigments and those with photosynthetic or nonbiological surfaces, using both 1-D and 3-D spectral models. We demonstrate that, given sufficient surface coverage, nonphotosynthetic pigments could significantly impact the disk-averaged spectrum of a planet. However, we find that due to the possible diversity of organisms and environments, and the confounding effects of the atmosphere and clouds, determination of substantial coverage by biologically produced pigments would be difficult with broadband colors alone and would likely require spectrally resolved data. Key Words: Biosignatures—Exoplanets—Halophiles—Pigmentation—Reflectance spectroscopy—Spectral models. Astrobiology 15, 341–361. PMID:25941875

Supramolecular structures of halogenated oligothiophenes on the Si(111)-√3 ×√3-Ag surface

NASA Astrophysics Data System (ADS)

Liu, R.; Fu, C.; Perepichka, D. F.; Gallagher, M. C.

2016-05-01

We have studied the adsorption of brominated tetrathienoanthracene (TBTTA) molecules onto the Si(111)-√3 × √ 3-Ag surface at room temperature. The two-dimensional √ 3 silver adlayer acts to passivate the silicon surface and provides a high-mobility template for TBTTA adsorption. Scanning tunneling microscopy (STM) images reveal that at low coverage, the molecules readily migrate to step edges and defects in the √ 3 overlayer. With increasing coverage, the molecules eventually form compact supramolecular structures. In terms of the hexagonal √ 3 lattice vectors (a√ 3 and b√ 3), the oblique unit cell of these structures can be defined by lattice vectors am = 3a√ 3 + 2b√ 3, and bm = - a√ 3 + b√ 3. The structures are quite fragile and can decompose under repeated STM imaging. This is particularly true at higher bias and suggests an electric field-induced dissociation in these instances. With increasing molecular dose, the size and stability of the structures increases. At higher coverage, the spatial extent of the supramolecular structures is often limited by defects in the underlying √ 3 layer. Our results suggest that the √ 3-Ag surface provides a relatively inert substrate for the adsorption of TBTTA molecules, and that the supramolecular structures are held together by relatively weak intermolecular forces.

Method for lubricating contacting surfaces

DOEpatents

Dugger, Michael T [Tijeras, NM; Ohlhausen, James A [Albuquerque, NM; Asay, David B [Boalsburg, PA; Kim, Seong H [State College, PA

2011-12-06

A method is provided for tribological lubrication of sliding contact surfaces, where two surfaces are in contact and in motion relative to each other, operating in a vapor-phase environment containing at least one alcohol compound at a concentration sufficiently high to provide one monolayer of coverage on at least one of the surfaces, where the alcohol compound continuously reacts at the surface to provide lubrication.

Identification of the nitrogen-based blister agents bis(2-chloroethyl)methylamine (HN-2) and tris(2-chloroethyl)amine (HN-3) and their hydrolysis products on soil using ion trap secondary ion mass spectrometry.

PubMed

Gresham, G L; Groenewold, G S; Olson, J E

2000-12-01

The nitrogen blister agents HN-2 (bis(2-chloroethyl)methylamine) and HN-3 (tris(2-chloroethyl)amine) were directly analyzed on the surface of soil samples using ion trap secondary ion mass spectrometry (SIMS). In the presence of water, HN-1 (bis(2-choroethyl)ethylamine), HN-2 and HN-3 undergo hydrolysis to form N-ethyldiethanolamine, N-methyldiethanolamine and triethanolamine (TEA), respectively; these compounds can be readily detected as adsorbed species on soil particles. When soil samples spiked with HN-3 in alcohol were analyzed, 2-alkoxyethylamine derivatives were observed on the sample surfaces. This result shows that nitrogen blister agents will undergo condensation reactions with nucleophilic compounds and emphasizes the need for an analytical methodology capable of detecting a range of degradation and condensation products on environmental surfaces. The ability of ion trap SIMS to isolate and accumulate ions, and then perform tandem mass spectrometric analysis improves the detection of low-abundance surface contaminants and the selectivity of the technique. Utilizing these techniques, the limits of detection for HN-3 were studied as a function of surface coverage. It was found that HN-3 could be detected at a surface coverage of 0.01 monolayer, which corresponds to 20 ppm (mass/mass) for a soil having a surface area of 2.2 m(2) g(-1). TEA, the exhaustive hydrolysis product of HN-3, was detected at a surface coverage of 0.001 monolayer, which corresponds to 0.86 ppm. Copyright 2000 John Wiley & Sons, Ltd.

Self-assembled monolayer structures of hexadecylamine on Cu surfaces: density-functional theory.

PubMed

Liu, Shih-Hsien; Balankura, Tonnam; Fichthorn, Kristen A

2016-12-07

We used dispersion-corrected density-functional theory to probe possible structures for adsorbed layers of hexadecylamine (HDA) on Cu(100) and Cu(111). HDA forms self-assembled layers on these surfaces, analogous to alkanethiols on various metal surfaces, and it binds by donating electrons in the amine group to the Cu surface atoms, consistent with experiment. van der Waals interactions between the alkyl tails of HDA molecules are stronger than the interaction between the amine group and the Cu surfaces. Strong HDA-tail interactions lead to coverage-dependent tilting of the HDA layers, such that the tilt angle is larger for lower coverages. At full monolayer coverage, the energetically preferred binding configuration for HDA on Cu(100) is a (5 × 3) pattern - although we cannot rule out incommensurate structures - while the pattern is preferred on Cu(111). A major motivation for this study is to understand the experimentally observed capability of HDA as a capping agent for producing {100}-faceted Cu nanocrystals. Consistent with experiment, we find that HDA binds more strongly to Cu(100) than to Cu(111). This strong binding stems from the capability of HDA to form more densely packed layers on Cu(100), which leads to stronger HDA-tail interactions, as well as the stronger binding of the amine group to Cu(100). We estimate the surface energies of HDA-covered Cu(100) and Cu(111) surfaces and find that these surfaces are nearly isoenergetic. By drawing analogies to previous theoretical work, it seems likely that HDA-covered Cu nanocrystals could have kinetic shapes that primarily express {100} facets, as is seen experimentally.

Density-functional theory study of the initial oxygen incorporation in Pd(111)

NASA Astrophysics Data System (ADS)

Todorova, Mira; Reuter, Karsten; Scheffler, Matthias

2005-05-01

Pd(111) has recently been shown to exhibit a propensity to form a subnanometer thin surface oxide film already well before a full monolayer coverage of adsorbed O atoms is reached on the surface. Aiming at an atomic-scale understanding of this finding, we study the initial oxygen incorporation into the Pd(111) surface using density-functional theory. We find that oxygen incorporation into the sub-surface region starts at essentially the same coverage as formation of the surface oxide. This implies that the role of sub-surface oxygen should be considered as that of a metastable precursor in the oxidation process of the surface. The mechanisms found to play a role towards the ensuing stabilization of an ordered oxidic structure with a mixed on-surface/sub-surface site occupation follow a clear trend over the late 4d transition metal series, as seen by comparing our data to previously published studies concerned with oxide formation at the basal surface of Ru, Rh, and Ag. The formation of a linearly aligned O-TM-O trilayered structure (TM=Ru,Rh,Pd,Ag) , together with an efficient coupling to the underlying substrate seem to be key ingredients in this respect.

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

PubMed

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

2014-09-01

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

SU-E-T-333: Dosimetric Impact of Rotational Error On the Target Coverage in IMPT Lung Cancer Plans

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

Rana, S; Zheng, Y

2015-06-15

Purpose: The main purpose of this study was to investigate the impact of rotational (yaw, roll, and pitch) error on the planning target volume (PTV) coverage in lung cancer plans generated by intensity modulated proton therapy (IMPT). Methods: In this retrospective study, computed tomography (CT) dataset of previously treated lung case was used. IMPT plan were generated on the original CT dataset using left-lateral (LL) and posterior-anterior (PA) beams for a total dose of 74 Gy[RBE] with 2 Gy[RBE] per fraction. In order to investigate the dosimetric impact of rotational error, 12 new CT datasets were generated by re-sampling themore » original CT dataset for rotational (roll, yaw, and pitch) angles ranged from −5° to +5°, with an increment of 2.5°. A total of 12 new IMPT plans were generated based on the re-sampled CT datasets using beam parameters identical to the ones in the original IMPT plan. All treatment plans were generated in XiO treatment planning system. The PTV coverage (i.e., dose received by 95% of the PTV volume, D95) in new IMPT plans were then compared with the PTV coverage in the original IMPT plan. Results: Rotational errors caused the reduction in the PTV coverage in all 12 new IMPT plans when compared to the original IMPT lung plan. Specifically, the PTV coverage was reduced by 4.94% to 50.51% for yaw, by 4.04% to 23.74% for roll, and by 5.21% to 46.88% for pitch errors. Conclusion: Unacceptable dosimetric results were observed in new IMPT plans as the PTV coverage was reduced by up to 26.87% and 50.51% for rotational error of 2.5° and 5°, respectively. Further investigation is underway in evaluating the PTV coverage loss in the IMPT lung cancer plans for smaller rotational angle change.« less

Unravelling the secrets of Cs controlled secondary ion formation: Evidence of the dominance of site specific surface chemistry, alloying and ionic bonding

NASA Astrophysics Data System (ADS)

Wittmaack, Klaus

2013-03-01

Exposure of ion bombarded solids to Cs gives rise to a very strong enhancement of the yields of negatively charged secondary ions and, concurrently, to a lowering of positive ion yields. The phenomena have been explored in a large number of experimental and theoretical studies but attempts to clarify the mechanism of ion formation were not as successful as assumed. This review examines the state of the art in Cs controlled secondary ion mass spectrometry (SIMS) in great detail, with due consideration of low-energy alkali-ion scattering. In very basic studies on alkali induced secondary ion yield changes, sub-monolayer quantities of Cs or Li were deposited on the sample surface, followed by low-fluence ion bombardment, to avoid significant damage. If SIMS is applied to characterise the composition of solid materials, the simplest approach to achieving sample erosion as well as high negative-ion yields is bombardment with primary ions of Cs. Two other methods of sample loading with Cs provide more flexibility, (i) exposure to a collimated beam of Cs vapour and concurrent bombardment with high-energy non-Cs ions and (ii) the mixed-beam approach involving quasi-simultaneous bombardment with Cs and Xe ions. Both concepts have the advantage that undesirable sample overload with Cs can be avoided. High Cs concentrations reduce the formation probability of target specific molecular ions and lower the yields of all types of positive secondary ions, including Cs+, M+, X+, MCs+ and XCs+ (M and X denoting matrix and impurity elements). Quantitative SIMS analysis using MCs+ and XCs+ ions appears feasible, provided the Cs coverage is kept below about 5%. The semi-classical model of resonant charge transfer, also known as the tunnelling model, has long been considered a solid framework for the interpretation of Cs and Li based SIMS data. The model predicts ionisation probabilities for cases in which, at shallow distances from the surface, the affinity (ionisation) level of the departing atom is shifted below (above) the Fermi level. Ion yields should be controlled by the work function (WF) of the sample, Φ, and the normal velocity of the ejected ions. To explore the predicted velocity dependence, the performance characteristics of the employed SIMS instrument need to be known. The Cs induced negative-ion yield enhancement observed with pure metal and alloy targets often exceeded five orders of magnitude, with enhancement factors essentially independent of the emission energy. This absence of a velocity dependence is at variance with the predictions of the tunnelling model. Previous theoretical attempts to model the Φ-dependence and the apparent velocity effect for the overrated case of O-emission from Li and Cs exposed oxidised metal surfaces must be considered a meander. The experimental data, recorded with a quadrupole based instrument of inadequate extraction geometry, may alternatively be rationalised in terms of alkali induced changes in the energy spectrum of sputtered atoms. Another important finding is that secondary ion yield changes do not correlate with the absolute magnitude of the (macroscopic) WF but often with WF changes, ΔΦ. The frequently used method of determining ΔΦ in situ from the shift of the leading edge of secondary ion energy spectra rests on the assumption, taken for granted or not even appreciated, that Cs induced yield changes are independent of the ion's emission velocity. Hence the approach is only applicable if the tunnelling model is not valid. The local character of alkali induced WF changes, which might provide a route to an understanding of previously unexplained phenomena, has been explored using photoemission of adsorbed inert gases, scanning tunneling microscopy and low-energy ion scattering spectrometry. At room temperature, the Cs coverage is limited to one layer of adatoms. Close similarities are identified between WF changes generated by Cs vapour deposition and by bombardment with Cs ions. This finding implies that sub-monolayer quantities of Cs adatoms grow at the surface of Cs bombarded samples. The process has been studied in-situ by medium-energy ion scattering spectrometry. The stationary Cs coverage, NCs, is controlled by the efficiency of active transport of implanted atoms to the surface, the bulk retention properties of the sample and the cross section for sputtering of adatoms. Unearthing immobile implanted Cs atoms by sputter erosion usually provides only a minor contribution to the stationary coverage. Cs adatoms are mobile; the time required for final adatom rearrangement may be on the order of minutes at room temperature. Exposure of Cs bombarded samples to oxygen gives rise to oxidation of the substrate as well as to the formation of oxide layers of complex composition. Intercalation should be taken into account as a possible route of alkali transport into analysed samples. An important aspect ignored in prior work is that the alkali coverage required to produce a certain WF change is five to seven times higher if Li is deposited instead of Cs. Studies involving the use of Li thus provide no advantage compared to Cs. Furthermore, migration of the tiny Li atoms into the sample and metallisation effects aggrevate data interpretation. Literature data for ΔΦ (NCs), measured using Cs vapour deposition, can be converted to calibration curves, NCs (ΔΦ), for calculating the coverage established in implantation studies, a method referred to as ΔΦ→NCs conversion. This concept may be carried even further, as shown convincingly for silicon, the material examined most frequently in basic SIMS studies: Si- ion fractions, P(Si-), derived from yields measured under vastly different conditions of Cs supply, exhibit essentially the same ΔΦ dependence. Inverting the data one can produce calibration functions for ΔΦ versus P(Si-), denoted P(Si-)→ΔΦ, or, more generally, P(M-)→ΔΦ conversion. On this basis, transient yields measured during Cs implantation can be evaluated as a function of Cs coverage. The summarised results imply that secondary ions are commonly not formed by charge transfer between an escaping atom and the electronic system of the sample but are already emitted as ions. The probability of ion formation appears to be controlled by the local ionic character of the alkali-target atom bonds, i.e., by the difference in electronegativity between the involved elements as well as by the electron affinity and the ionisation potential of the departing atom. This idea is supported by the finding that Si- yields exhibit the same very strong dependence on Cs coverage as Si+ and O- yields on the oxygen fraction in oxygen loaded Si. Most challenging to theoreticians is the finding that the ionisation probability is independent of the emission velocity of sputtered ions. This phenomenon cannot be rationalised along established routes of thinking. Different concepts need to be explored. An old, somewhat exotic idea takes account of the heavy perturbation created for a very short period of time at the site of ion emission (dynamic randomisation). Molecular dynamics simulations are desirable to clarify the issue. Ultimately it may be possible to describe all phenomena of enhanced or suppressed secondary ion formation, produced either by surface loading with alkali atoms or by enforced surface oxidation, on the basis of a single universal model. There is plenty of room for exciting new studies.

Hydrology and microtopography control carbon dynamics in wetlands: Implications in partitioning ecosystem respiration in a coastal plain forested wetland

Treesearch

Guofang Miao; Asko Noormets; Jean-Christophe Domec; Montserrat Fuentes; Carl C. Trettin; Ge Sun; Steve G. McNulty; John S. King

2017-01-01

Wetlands store a disproportionately large fraction of organic carbon relative to their areal coverage, and thus play an important role in global climate mitigation. As destabilization of these stores through land use or en- vironmental change represents a signi fi cant climate feedback, it is important to understand the functional regulation of respiratory processes...

Exploratory Study of 4D Versus 3D Robust Optimization in Intensity-Modulated Proton Therapy for Lung Cancer

PubMed Central

Liu, Wei; Schild, Steven E.; Chang, Joe Y.; Liao, Zhongxing; Chang, Yu-Hui; Wen, Zhifei; Shen, Jiajian; Stoker, Joshua B.; Ding, Xiaoning; Hu, Yanle; Sahoo, Narayan; Herman, Michael G.; Vargas, Carlos; Keole, Sameer; Wong, William; Bues, Martin

2015-01-01

Background To compare the impact of uncertainties and interplay effect on 3D and 4D robustly optimized intensity-modulated proton therapy (IMPT) plans for lung cancer in an exploratory methodology study. Methods IMPT plans were created for 11 non-randomly selected non-small-cell lung cancer (NSCLC) cases: 3D robustly optimized plans on average CTs with internal gross tumor volume density overridden to irradiate internal target volume, and 4D robustly optimized plans on 4D CTs to irradiate clinical target volume (CTV). Regular fractionation (66 Gy[RBE] in 33 fractions) were considered. In 4D optimization, the CTV of individual phases received non-uniform doses to achieve a uniform cumulative dose. The root-mean-square-dose volume histograms (RVH) measured the sensitivity of the dose to uncertainties, and the areas under the RVH curve (AUCs) were used to evaluate plan robustness. Dose evaluation software modeled time-dependent spot delivery to incorporate interplay effect with randomized starting phases of each field per fraction. Dose-volume histogram indices comparing CTV coverage, homogeneity, and normal tissue sparing were evaluated using Wilcoxon signed-rank test. Results 4D robust optimization plans led to smaller AUC for CTV (14.26 vs. 18.61 (p=0.001), better CTV coverage (Gy[RBE]) [D95% CTV: 60.6 vs 55.2 (p=0.001)], and better CTV homogeneity [D5%–D95% CTV: 10.3 vs 17.7 (p=0.002)] in the face of uncertainties. With interplay effect considered, 4D robust optimization produced plans with better target coverage [D95% CTV: 64.5 vs 63.8 (p=0.0068)], comparable target homogeneity, and comparable normal tissue protection. The benefits from 4D robust optimization were most obvious for the 2 typical stage III lung cancer patients. Conclusions Our exploratory methodology study showed that, compared to 3D robust optimization, 4D robust optimization produced significantly more robust and interplay-effect-resistant plans for targets with comparable dose distributions for normal tissues. A further study with a larger and more realistic patient population is warranted to generalize the conclusions. PMID:26725727

SU-F-T-123: The Simulated Effect of the Breath-Hold Reproducibility Treating Locally-Advanced Lung Cancer with Pencil Beam Scanned Proton Therapy

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

Dueck, J; Department of Oncology, Rigshospitalet, Copenhagen; Niels Bohr Institute, University of Copenhagen, Copenhagen

Purpose: The breath-hold (BH) technique has been suggested to mitigate motion and reduce target coverage degradation due to motion effects. The aim of this study was to investigate the effect of inter-BH residual motion on the dose distribution for pencil beam scanned (PBS) proton therapy of locally-advanced lung cancer patients. Methods: A dataset of visually-guided BH CT scans was acquired (10 scans per patient) taken from five lung cancer patients: three intra-fractionally repeated CT scans on treatment days 2,16 and 31, in addition to the day 0 planning CT scan. Three field intensity-modulated proton therapy (IMPT) plans were constructed onmore » the planning CT scan. Dose delivery on fraction 2, 16 and 31 were simulated on the three consecutive CT scans, assuming BH duration of 20s and soft tissue match. The dose was accumulated in the planning CT using deformable image registration, and scaled to simulate the full treatment of 66Gy(RBE) in 33 fractions. Results: The mean dose to the lungs and heart, and maximum dose to the spinal cord and esophagus were within 1% of the planned dose. The CTV V95% decreased and the inhomogeneity (D5%–D95%) increased on average 4.1% (0.4–12.2%) and 5.8% (2.2–13.4%), respectively, over the five patient cases. Conclusion: The results showed that the BH technique seems to spare the OARs in spite of inter-BH residual motion. However, small degradation of target coverage occurred for all patients, with 3/5 patients having a decrease in V95% ≤1%. For the remaining two patients, where V95% decreased up to 12%, the cause could be related to treatment related anatomical changes and, as in photon therapy, plan adaptation may be necessary to ensure target coverage. This study showed that BH could be a potential treatment option to reliably mitigate motion for the treatment of locally-advanced lung cancer using PBS proton therapy.« less

Fractional non-ablative laser-assisted drug delivery leads to improvement in male and female pattern hair loss.

PubMed

Bertin, Ana Carina Junqueira; Vilarinho, Adriana; Junqueira, Ana Lúcia Ariano

2018-02-16

Androgenetic alopecia, also known as male and female pattern hair loss, is a very prevalent condition; however, approved therapeutic options are limited. Fractionated laser has been proposed to assist in penetration of topical medications to the cutaneous tissue. We present four cases of androgenetic alopecia that underwent treatment with a non-ablative erbium glass fractional laser followed by the application of topical finasteride 0,05% and growth factors including basic fibroblast growth factor, insulin-like growth factor, vascular endothelial growth factor, and copper peptide 1%. During all laser treatment sessions, eight passes were performed, at 7 mJ, 3-9% of coverage and density of 120 mzt/cm 2 . A positive response was observed in all of the four patients. Photographs taken 2 weeks after the last session showed improvement in hair regrowth and density. No significant side effects were observed.

Surface kinetics for catalytic combustion of hydrogen-air mixtures on platinum at atmospheric pressure in stagnation flows

NASA Astrophysics Data System (ADS)

Ikeda, H.; Sato, J.; Williams, F. A.

1995-03-01

Experimental studies of the combustion of premixed hydrogen-air mixtures impinging on the surface of a heated platinum plate at normal atmospheric pressure were performed and employed to draw inferences concerning surface reaction mechanisms and rate parameters applicable under practical conditions of catalytic combustion. Plate and gas temperatures were measured by thermocouples, and concentration profiles of major stable species in the gas were measured by gas-chromatographic analyses of samples withdrawn by quartz probes. In addition, ignition and extinction phenomena were recorded and interpreted with the aid of a heat balance at the surface and a previous flow-field analysis of the stagnation-point boundary layer. From the experimental and theoretical results, conclusions were drawn concerning the surface chemical-kinetic mechanisms and values of the elementary rate parameters that are consistent with the observations. In particular, the activation energy for the surface oxidation step H + OH → H 2O is found to be appreciably less at these high surface coverages than in the low-coverage limit.

Robustness Recipes for Minimax Robust Optimization in Intensity Modulated Proton Therapy for Oropharyngeal Cancer Patients

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

Voort, Sebastian van der; Section of Nuclear Energy and Radiation Applications, Department of Radiation, Science and Technology, Delft University of Technology, Delft; Water, Steven van de

Purpose: We aimed to derive a “robustness recipe” giving the range robustness (RR) and setup robustness (SR) settings (ie, the error values) that ensure adequate clinical target volume (CTV) coverage in oropharyngeal cancer patients for given gaussian distributions of systematic setup, random setup, and range errors (characterized by standard deviations of Σ, σ, and ρ, respectively) when used in minimax worst-case robust intensity modulated proton therapy (IMPT) optimization. Methods and Materials: For the analysis, contoured computed tomography (CT) scans of 9 unilateral and 9 bilateral patients were used. An IMPT plan was considered robust if, for at least 98% of themore » simulated fractionated treatments, 98% of the CTV received 95% or more of the prescribed dose. For fast assessment of the CTV coverage for given error distributions (ie, different values of Σ, σ, and ρ), polynomial chaos methods were used. Separate recipes were derived for the unilateral and bilateral cases using one patient from each group, and all 18 patients were included in the validation of the recipes. Results: Treatment plans for bilateral cases are intrinsically more robust than those for unilateral cases. The required RR only depends on the ρ, and SR can be fitted by second-order polynomials in Σ and σ. The formulas for the derived robustness recipes are as follows: Unilateral patients need SR = −0.15Σ{sup 2} + 0.27σ{sup 2} + 1.85Σ − 0.06σ + 1.22 and RR=3% for ρ = 1% and ρ = 2%; bilateral patients need SR = −0.07Σ{sup 2} + 0.19σ{sup 2} + 1.34Σ − 0.07σ + 1.17 and RR=3% and 4% for ρ = 1% and 2%, respectively. For the recipe validation, 2 plans were generated for each of the 18 patients corresponding to Σ = σ = 1.5 mm and ρ = 0% and 2%. Thirty-four plans had adequate CTV coverage in 98% or more of the simulated fractionated treatments; the remaining 2 had adequate coverage in 97.8% and 97.9%. Conclusions: Robustness recipes were derived that can be used in minimax robust optimization of IMPT treatment plans to ensure adequate CTV coverage for oropharyngeal cancer patients.« less

Building a model: developing genomic resources for common milkweed (Asclepias syriaca) with low coverage genome sequencing

PubMed Central

2011-01-01

Background Milkweeds (Asclepias L.) have been extensively investigated in diverse areas of evolutionary biology and ecology; however, there are few genetic resources available to facilitate and compliment these studies. This study explored how low coverage genome sequencing of the common milkweed (Asclepias syriaca L.) could be useful in characterizing the genome of a plant without prior genomic information and for development of genomic resources as a step toward further developing A. syriaca as a model in ecology and evolution. Results A 0.5× genome of A. syriaca was produced using Illumina sequencing. A virtually complete chloroplast genome of 158,598 bp was assembled, revealing few repeats and loss of three genes: accD, clpP, and ycf1. A nearly complete rDNA cistron (18S-5.8S-26S; 7,541 bp) and 5S rDNA (120 bp) sequence were obtained. Assessment of polymorphism revealed that the rDNA cistron and 5S rDNA had 0.3% and 26.7% polymorphic sites, respectively. A partial mitochondrial genome sequence (130,764 bp), with identical gene content to tobacco, was also assembled. An initial characterization of repeat content indicated that Ty1/copia-like retroelements are the most common repeat type in the milkweed genome. At least one A. syriaca microread hit 88% of Catharanthus roseus (Apocynaceae) unigenes (median coverage of 0.29×) and 66% of single copy orthologs (COSII) in asterids (median coverage of 0.14×). From this partial characterization of the A. syriaca genome, markers for population genetics (microsatellites) and phylogenetics (low-copy nuclear genes) studies were developed. Conclusions The results highlight the promise of next generation sequencing for development of genomic resources for any organism. Low coverage genome sequencing allows characterization of the high copy fraction of the genome and exploration of the low copy fraction of the genome, which facilitate the development of molecular tools for further study of a target species and its relatives. This study represents a first step in the development of a community resource for further study of plant-insect co-evolution, anti-herbivore defense, floral developmental genetics, reproductive biology, chemical evolution, population genetics, and comparative genomics using milkweeds, and A. syriaca in particular, as ecological and evolutionary models. PMID:21542930

Building a model: developing genomic resources for common milkweed (Asclepias syriaca) with low coverage genome sequencing.

PubMed

Straub, Shannon C K; Fishbein, Mark; Livshultz, Tatyana; Foster, Zachary; Parks, Matthew; Weitemier, Kevin; Cronn, Richard C; Liston, Aaron

2011-05-04

Milkweeds (Asclepias L.) have been extensively investigated in diverse areas of evolutionary biology and ecology; however, there are few genetic resources available to facilitate and compliment these studies. This study explored how low coverage genome sequencing of the common milkweed (Asclepias syriaca L.) could be useful in characterizing the genome of a plant without prior genomic information and for development of genomic resources as a step toward further developing A. syriaca as a model in ecology and evolution. A 0.5× genome of A. syriaca was produced using Illumina sequencing. A virtually complete chloroplast genome of 158,598 bp was assembled, revealing few repeats and loss of three genes: accD, clpP, and ycf1. A nearly complete rDNA cistron (18S-5.8S-26S; 7,541 bp) and 5S rDNA (120 bp) sequence were obtained. Assessment of polymorphism revealed that the rDNA cistron and 5S rDNA had 0.3% and 26.7% polymorphic sites, respectively. A partial mitochondrial genome sequence (130,764 bp), with identical gene content to tobacco, was also assembled. An initial characterization of repeat content indicated that Ty1/copia-like retroelements are the most common repeat type in the milkweed genome. At least one A. syriaca microread hit 88% of Catharanthus roseus (Apocynaceae) unigenes (median coverage of 0.29×) and 66% of single copy orthologs (COSII) in asterids (median coverage of 0.14×). From this partial characterization of the A. syriaca genome, markers for population genetics (microsatellites) and phylogenetics (low-copy nuclear genes) studies were developed. The results highlight the promise of next generation sequencing for development of genomic resources for any organism. Low coverage genome sequencing allows characterization of the high copy fraction of the genome and exploration of the low copy fraction of the genome, which facilitate the development of molecular tools for further study of a target species and its relatives. This study represents a first step in the development of a community resource for further study of plant-insect co-evolution, anti-herbivore defense, floral developmental genetics, reproductive biology, chemical evolution, population genetics, and comparative genomics using milkweeds, and A. syriaca in particular, as ecological and evolutionary models.

Multiple Emission Angle Surface-Atmosphere Separations of MGS Thermal Emission Spectrometer Data

NASA Technical Reports Server (NTRS)

Bandfield, J. L.; Smith, M. D.

2001-01-01

Multiple emission angle observations taken by MGS-TES have been used to derive atmospheric opacities and surface temperatures and emissivities with increased accuracy and wavelength coverage. Martian high albedo region surface spectra have now been isolated. Additional information is contained in the original extended abstract.

Modulation of glacier ablation by tephra coverage from Eyjafjallajökull and Grímsvötn volcanoes, Iceland: an automated field experiment

NASA Astrophysics Data System (ADS)

Möller, Rebecca; Möller, Marco; Kukla, Peter A.; Schneider, Christoph

2018-01-01

We report results from a field experiment investigating the influence of volcanic tephra coverage on glacier ablation. These influences are known to be significantly different from those of moraine debris on glaciers due to the contrasting grain size distribution and thermal conductivity. Thus far, the influences of tephra deposits on glacier ablation have rarely been studied. For the experiment, artificial plots of two different tephra types from Eyjafjallajökull and Grímsvötn volcanoes were installed on a snow-covered glacier surface of Vatnajökull ice cap, Iceland. Snow-surface lowering and atmospheric conditions were monitored in summer 2015 and compared to a tephra-free reference site. For each of the two volcanic tephra types, three plots of variable thickness ( ˜ 1.5, ˜ 8.5 and ˜ 80 mm) were monitored. After limiting the records to a period of reliable measurements, a 50-day data set of hourly records was obtained, which can be downloaded from the Pangaea data repository (https://www.pangaea.de; doi:10.1594/PANGAEA.876656). The experiment shows a substantial increase in snow-surface lowering rates under the ˜ 1.5 and ˜ 8.5 mm tephra plots when compared to uncovered conditions. Under the thick tephra cover some insulating effects could be observed. These results are in contrast to other studies which depicted insulating effects for much thinner tephra coverage on bare-ice glacier surfaces. Differences between the influences of the two different petrological types of tephra exist but are negligible compared to the effect of tephra coverage overall.

Adsorption and dissociation of H2O on the (001) surface of uranium mononitride: energetics and mechanism from first-principles investigation.

PubMed

Bo, Tao; Lan, Jian-Hui; Zhang, Yu-Juan; Zhao, Yao-Lin; He, Chao-Hui; Chai, Zhi-Fang; Shi, Wei-Qun

2016-05-21

The interfacial interaction of uranium mononitride (UN) with water from the environment unavoidably leads to corrosion of nuclear fuels, which affects a lot of processes in the nuclear fuel cycle. In this work, the microscopic adsorption behaviors of water on the UN(001) surface as well as water dissociation and accompanying H2 formation mechanisms have been investigated on the basis of DFT+U calculations and ab initio atomistic thermodynamics. For adsorption of one H2O monomer, the predicted adsorption energies are -0.88, -2.07, and -2.07 eV for the most stable molecular, partially dissociative, and completely dissociative adsorption, respectively. According to our calculations, a water molecule dissociates into OH and H species via three pathways with small energy barriers of 0.78, 0.72, and 0.85 eV, respectively. With the aid of the neighboring H atom, H2 formation through the reaction of H* + OH* can easily occur via two pathways with energy barriers of 0.61 and 0.36 eV, respectively. The molecular adsorption of water shows a slight coverage dependence on the surface while this dependence becomes obvious for partially dissociative adsorption as the water coverage increases from 1/4 to 1 ML. In addition, based on the "ab initio atomistic thermodynamic" simulations, increasing H2O partial pressure will enhance the stability of the adsorbed system and water coverage, while increasing temperature will decrease the H2O coverage. We found that the UN(001) surface reacts easily with H2O at room temperature, leading to dissolution and corrosion of the UN fuel materials.