Versatile technique for assessing thickness of 2D layered materials by XPS

DOE PAGES

Zemlyanov, Dmitry Y.; Jespersen, Michael; Zakharov, Dmitry N.; ...

2018-02-07

X-ray photoelectron spectroscopy (XPS) has been utilized as a versatile method for thickness characterization of various two-dimensional (2D) films. Accurate thickness can be measured simultaneously while acquiring XPS data for chemical characterization of 2D films having thickness up to approximately 10 nm. For validating the developed technique, thicknesses of few-layer graphene (FLG), MoS 2 and amorphous boron nitride (a-BN) layer, produced by microwave plasma chemical vapor deposition (MPCVD), plasma enhanced chemical vapor deposition (PECVD), and pulsed laser deposition (PLD) respectively, were accurately measured. The intensity ratio between photoemission peaks recorded for the films (C 1s, Mo 3d, B 1s) andmore » the substrates (Cu 2p, Al 2p, Si 2p) is the primary input parameter for thickness calculation, in addition to the atomic densities of the substrate and the film, and the corresponding electron attenuation length (EAL). The XPS data was used with a proposed model for thickness calculations, which was verified by cross-sectional transmission electron microscope (TEM) measurement of thickness for all the films. The XPS method determines thickness values averaged over an analysis area which is orders of magnitude larger than the typical area in cross-sectional TEM imaging, hence provides an advanced approach for thickness measurement over large areas of 2D materials. The study confirms that the versatile XPS method allows rapid and reliable assessment of the 2D material thickness and this method can facilitate in tailoring growth conditions for producing very thin 2D materials effectively over a large area. Furthermore, the XPS measurement for a typical 2D material is non-destructive and does not require special sample preparation. Furthermore, after XPS analysis, exactly the same sample can undergo further processing or utilization.« less

Versatile technique for assessing thickness of 2D layered materials by XPS.

PubMed

Zemlyanov, Dmitry Y; Jespersen, Michael; Zakharov, Dmitry N; Hu, Jianjun; Paul, Rajib; Kumar, Anurag; Pacley, Shanee; Glavin, Nicholas; Saenz, David; Smith, Kyle C; Fisher, Timothy S; Voevodin, Andrey A

2018-03-16

X-ray photoelectron spectroscopy (XPS) has been utilized as a versatile method for thickness characterization of various two-dimensional (2D) films. Accurate thickness can be measured simultaneously while acquiring XPS data for chemical characterization of 2D films having thickness up to approximately 10 nm. For validating the developed technique, thicknesses of few-layer graphene (FLG), MoS 2 and amorphous boron nitride (a-BN) layer, produced by microwave plasma chemical vapor deposition (MPCVD), plasma enhanced chemical vapor deposition (PECVD), and pulsed laser deposition (PLD) respectively, were accurately measured. The intensity ratio between photoemission peaks recorded for the films (C 1s, Mo 3d, B 1s) and the substrates (Cu 2p, Al 2p, Si 2p) is the primary input parameter for thickness calculation, in addition to the atomic densities of the substrate and the film, and the corresponding electron attenuation length (EAL). The XPS data was used with a proposed model for thickness calculations, which was verified by cross-sectional transmission electron microscope (TEM) measurement of thickness for all the films. The XPS method determines thickness values averaged over an analysis area which is orders of magnitude larger than the typical area in cross-sectional TEM imaging, hence provides an advanced approach for thickness measurement over large areas of 2D materials. The study confirms that the versatile XPS method allows rapid and reliable assessment of the 2D material thickness and this method can facilitate in tailoring growth conditions for producing very thin 2D materials effectively over a large area. Furthermore, the XPS measurement for a typical 2D material is non-destructive and does not require special sample preparation. Therefore, after XPS analysis, exactly the same sample can undergo further processing or utilization.

Versatile technique for assessing thickness of 2D layered materials by XPS

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

Zemlyanov, Dmitry Y.; Jespersen, Michael; Zakharov, Dmitry N.

X-ray photoelectron spectroscopy (XPS) has been utilized as a versatile method for thickness characterization of various two-dimensional (2D) films. Accurate thickness can be measured simultaneously while acquiring XPS data for chemical characterization of 2D films having thickness up to approximately 10 nm. For validating the developed technique, thicknesses of few-layer graphene (FLG), MoS 2 and amorphous boron nitride (a-BN) layer, produced by microwave plasma chemical vapor deposition (MPCVD), plasma enhanced chemical vapor deposition (PECVD), and pulsed laser deposition (PLD) respectively, were accurately measured. The intensity ratio between photoemission peaks recorded for the films (C 1s, Mo 3d, B 1s) andmore » the substrates (Cu 2p, Al 2p, Si 2p) is the primary input parameter for thickness calculation, in addition to the atomic densities of the substrate and the film, and the corresponding electron attenuation length (EAL). The XPS data was used with a proposed model for thickness calculations, which was verified by cross-sectional transmission electron microscope (TEM) measurement of thickness for all the films. The XPS method determines thickness values averaged over an analysis area which is orders of magnitude larger than the typical area in cross-sectional TEM imaging, hence provides an advanced approach for thickness measurement over large areas of 2D materials. The study confirms that the versatile XPS method allows rapid and reliable assessment of the 2D material thickness and this method can facilitate in tailoring growth conditions for producing very thin 2D materials effectively over a large area. Furthermore, the XPS measurement for a typical 2D material is non-destructive and does not require special sample preparation. Furthermore, after XPS analysis, exactly the same sample can undergo further processing or utilization.« less

Chemical Visualization of a GaN p-n junction by XPS

PubMed Central

Caliskan, Deniz; Sezen, Hikmet; Ozbay, Ekmel; Suzer, Sefik

2015-01-01

We report on an operando XPS investigation of a GaN diode, by recording the Ga2p3/2 peak position under both forward and reverse bias. Areal maps of the peak positions under reverse bias are completely decoupled with respect to doped regions and allow a novel chemical visualization of the p-n junction in a 2-D fashion. Other electrical properties of the device, such as leakage current, resistivity of the domains are also tapped via recording line-scan spectra. Application of a triangular voltage excitation enables probing photoresponse of the device. PMID:26359762

Longitudinal structure of the equatorial ionosphere: Time evolution of the four-peaked EIA structure

NASA Astrophysics Data System (ADS)

Lin, C. H.; Hsiao, C. C.; Liu, J. Y.; Liu, C. H.

2007-12-01

Longitudinal structure of the equatorial ionosphere during the 24 h local time period is observed by the FORMOSAT-3/COSMIC (F3/C) satellite constellation. By binning the F3/C radio occultation observations during September and October 2006, global ionospheric total electron content (TEC) maps at a constant local time map (local time TEC map, referred as LT map) can be obtained to monitor the development and subsidence of the four-peaked longitudinal structure of the equatorial ionosphere. From LT maps, the four-peaked structure starts to develop at 0800-1000 LT and becomes most prominent at 1200-1600 LT. The longitudinal structure starts to subside after 2200-2400 LT and becomes indiscernible after 0400-0600 LT. In addition to TEC, ionospheric peak altitude also shows a four-peaked longitudinal structure with variation very similar to TEC during daytime. The four-peaked structure of the ionospheric peak altitude is indiscernible at night. With global local time maps of ionospheric TEC and peak altitude, we compare temporal variations of the longitudinal structure with variations of E × B drift from the empirical model. Our results indicate that the observations are consistent with the hypothesis that the four-peaked longitudinal structure is caused by the equatorial plasma fountain modulated by the E3 nonmigrating tide. Additionally, the four maximum regions show a tendency of moving eastward with propagation velocity of several 10 s m/s.

A Multi-technique Characterization of Adsorbed Protein Films: Orientation and Structure by ToF-SIMS, NEXAFS, SFG, and XPS

NASA Astrophysics Data System (ADS)

Baio, Joseph E.

There are many techniques that allow surface scientists to study interfaces. However, few are routinely applied to probe biological surfaces. The work presented here demonstrates how detailed information about the conformation, orientation, chemical state, and molecular structure of biological molecules immobilized onto a surface can be assessed by electron spectroscopy, mass spectrometry, and nonlinear vibrational spectroscopy techniques. This investigation began with the development of simple model systems (small proteins, and peptides) and evolved into a study of more complex --- real world systems. Initially, two model systems based on the chemical and electrostatic immobilization of a small rigid protein (Protein G B1 domain, 6kDa) were built to develop the capabilities of time-of-flight secondary ion mass spectrometry (ToFSIMS), near edge X-ray absorption fine structure spectroscopy (NEXAFS) and sum frequency generation (SFG) spectroscopy as tools to probe the structure of surface immobilized proteins. X-ray photoelectron spectroscopy (XPS) was used to measure the amount of immobilized protein and ToF-SIMS sampled the amino acid composition of the exposed surface of the protein film. Within the ToF-SIMS spectra, an enrichment of secondary ions from amino acids located at opposite ends of the proteins were used to describe protein orientation. SFG spectral peaks characteristic of ordered alpha-helix and beta-sheet elements were observed for both systems and the phase of the peaks indicated a predominantly upright orientation for both the covalent and electrostatic configurations. Polarization dependence of the NEXAFS signal from the N 1s to pi* transition of the peptide bonds that make up the beta-sheets also indicated protein ordering at the surface. Building upon the Protein G B1 studies, the orientation and structure of a surface immobilized antibody (HuLys Fv: variant of humanized anti-lysozyme variable fragment, 26kDa) was characterized across two

Samarium electrodeposited acetate and oxide thin films on stainless steel substrate characterized by XPS

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

Myhre, Kristian; Burns, Jonathan; Meyer, Harry

Characterization of a samarium thin film deposited on a stainless steel substrate using molecular electrodeposition was carried out using a Thermo Scientific K-Alpha X-ray photoelectron spectrometer. We studied two types of samarium electrodeposition samples, one as-deposited and one heated to 700 °C in an air flow. Survey scans include peaks coming from the stainless steel substrate, such as Fe and Cr. An X-ray photoelectron spectroscopy (XPS) survey spectrum, Sm 3d, C 1s, and O 1s narrow scans are shown. It was determined that the heating process decomposed the deposited Sm acetate to Sm 2O 3 using XPS.

Samarium electrodeposited acetate and oxide thin films on stainless steel substrate characterized by XPS

DOE PAGES

Myhre, Kristian; Burns, Jonathan; Meyer, Harry; ...

2016-06-01

Characterization of a samarium thin film deposited on a stainless steel substrate using molecular electrodeposition was carried out using a Thermo Scientific K-Alpha X-ray photoelectron spectrometer. We studied two types of samarium electrodeposition samples, one as-deposited and one heated to 700 °C in an air flow. Survey scans include peaks coming from the stainless steel substrate, such as Fe and Cr. An X-ray photoelectron spectroscopy (XPS) survey spectrum, Sm 3d, C 1s, and O 1s narrow scans are shown. It was determined that the heating process decomposed the deposited Sm acetate to Sm 2O 3 using XPS.

Effects of the low Earth orbit space environment on the surface chemistry of Kapton polyimide film: An XPS study

NASA Technical Reports Server (NTRS)

Lee, Myung; Rooney, William; Whiteside, James

1992-01-01

Kapton H (DuPont Trademark) polyimide specimens exposed to the low earth (LEO) space environment suffered significant weathering with surface erosions of approximately 8.0 microns. Despite these effects, no significant changes in bulk chemistry were observed. X-ray photoelectron spectroscopy (XPS) was used to determine local changes induced from approximately 25 percent in 1980 vintage ground control specimens to nearly 53 percent in space exposed specimens. The greatest increase was observed for the divalent oxygen moieties, although a slight increase in carbonyl oxygen was also measured. Furthermore, the chemical shifts of all XPS peaks of space-exposed Kapton are shifted to higher energy. This is consistent with a higher oxidation state of the space exposed surface. Finally, space exposed specimens had distinct silicon peaks (2p 100 eV and 2s 149 eV) in their XPS spectra in agreement with widespread reports of silicon contamination throughout the LDEF satellite. These results are discussed in terms of surface reactivity of the polyimide exposed to the LEO environment and the chemical nature of contaminants deposited on flight surfaces due to satellite outgassing.

Investigating early stages of biocorrosion with XPS: AISI 304 stainless steel exposed to Burkholderia species

NASA Astrophysics Data System (ADS)

Johansson, Leena-Sisko; Saastamoinen, Tuomas

1999-04-01

We have investigated the interactions of an exopolymer-producing bacteria, Burkholderia sp. with polished AISI 304 stainless steel substrates using X-ray photoelectron spectroscopy (XPS). Steel coupons were exposed to the pure bacteria culture in a specially designed flowcell for 6 h during which the experiment was monitored in situ with an optical microscope. XPS results verified the formation of biofilm containing extracellular polymer on all the samples exposed to bacteria. Sputter results indicated that some ions needed for metabolic processes were trapped within the biofilm. Changes in the relative Fe concentration and Fe 2p peak shape indicated that also iron had accumulated into the biofilm.

A poly-epoxy surface explored by Hartree-Fock ΔSCF simulations of C1s XPS spectra

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

Gavrielides, A.; Duguet, T., E-mail: thomas.duguet@ensiacet.fr, E-mail: Paul.Bagus@unt.edu; Esvan, J.

Whereas poly-epoxy polymers represent a class of materials with a wide range of applications, the structural disorder makes them difficult to model. In the present work, we use good experimental model samples in the sense that they are pure, fully polymerized, flat and smooth, defect-free, and suitable for ultrahigh vacuum x-ray photoelectron spectroscopy, XPS, experiments. In parallel, we perform Hartree-Fock, HF, calculations of the binding energies, BEs, of the C1s electrons in a model molecule composed of the two constituents of the poly-epoxy sample. These C1s BEs were determined using the HF ΔSCF method, which is known to yield accuratemore » values, especially for the shifts of the BEs, ΔBEs. We demonstrate the benefits of combining rigorous theory with careful XPS measurements in order to obtain correct assignments of the C1s XPS spectra of the polymer sample. Both the relative binding energies—by the ΔSCF method—and relative intensities—in the sudden approximation, SA, are calculated. It results in an excellent match with the experimental spectra. We are able to identify 9 different chemical environments under the C1s peak, where an exclusively experimental work would have found only 3 contributions. In addition, we observe that some contributions are localized at discrete binding energies, whereas others allow a much wider range because of the variation of their second neighbor bound polarization. Therefore, HF-ΔSCF simulations significantly increase the spectral resolution of XPS and thus offer a new avenue for the exploration of the surface of polymers.« less

Applications Performance on NAS Intel Paragon XP/S - 15#

NASA Technical Reports Server (NTRS)

Saini, Subhash; Simon, Horst D.; Copper, D. M. (Technical Monitor)

1994-01-01

The Numerical Aerodynamic Simulation (NAS) Systems Division received an Intel Touchstone Sigma prototype model Paragon XP/S- 15 in February, 1993. The i860 XP microprocessor with an integrated floating point unit and operating in dual -instruction mode gives peak performance of 75 million floating point operations (NIFLOPS) per second for 64 bit floating point arithmetic. It is used in the Paragon XP/S-15 which has been installed at NAS, NASA Ames Research Center. The NAS Paragon has 208 nodes and its peak performance is 15.6 GFLOPS. Here, we will report on early experience using the Paragon XP/S- 15. We have tested its performance using both kernels and applications of interest to NAS. We have measured the performance of BLAS 1, 2 and 3 both assembly-coded and Fortran coded on NAS Paragon XP/S- 15. Furthermore, we have investigated the performance of a single node one-dimensional FFT, a distributed two-dimensional FFT and a distributed three-dimensional FFT Finally, we measured the performance of NAS Parallel Benchmarks (NPB) on the Paragon and compare it with the performance obtained on other highly parallel machines, such as CM-5, CRAY T3D, IBM SP I, etc. In particular, we investigated the following issues, which can strongly affect the performance of the Paragon: a. Impact of the operating system: Intel currently uses as a default an operating system OSF/1 AD from the Open Software Foundation. The paging of Open Software Foundation (OSF) server at 22 MB to make more memory available for the application degrades the performance. We found that when the limit of 26 NIB per node out of 32 MB available is reached, the application is paged out of main memory using virtual memory. When the application starts paging, the performance is considerably reduced. We found that dynamic memory allocation can help applications performance under certain circumstances. b. Impact of data cache on the i860/XP: We measured the performance of the BLAS both assembly coded and Fortran

Quantitative analysis of Ni2+/Ni3+ in Li[NixMnyCoz]O2 cathode materials: Non-linear least-squares fitting of XPS spectra

NASA Astrophysics Data System (ADS)

Fu, Zewei; Hu, Juntao; Hu, Wenlong; Yang, Shiyu; Luo, Yunfeng

2018-05-01

Quantitative analysis of Ni2+/Ni3+ using X-ray photoelectron spectroscopy (XPS) is important for evaluating the crystal structure and electrochemical performance of Lithium-nickel-cobalt-manganese oxide (Li[NixMnyCoz]O2, NMC). However, quantitative analysis based on Gaussian/Lorentzian (G/L) peak fitting suffers from the challenges of reproducibility and effectiveness. In this study, the Ni2+ and Ni3+ standard samples and a series of NMC samples with different Ni doping levels were synthesized. The Ni2+/Ni3+ ratios in NMC were quantitatively analyzed by non-linear least-squares fitting (NLLSF). Two Ni 2p overall spectra of synthesized Li [Ni0.33Mn0.33Co0.33]O2(NMC111) and bulk LiNiO2 were used as the Ni2+ and Ni3+ reference standards. Compared to G/L peak fitting, the fitting parameters required no adjustment, meaning that the spectral fitting process was free from operator dependence and the reproducibility was improved. Comparison of residual standard deviation (STD) showed that the fitting quality of NLLSF was superior to that of G/L peaks fitting. Overall, these findings confirmed the reproducibility and effectiveness of the NLLSF method in XPS quantitative analysis of Ni2+/Ni3+ ratio in Li[NixMnyCoz]O2 cathode materials.

Characterization of fossil remains using XRF, XPS and XAFS spectroscopies

NASA Astrophysics Data System (ADS)

Zougrou, I. M.; Katsikini, M.; Pinakidou, F.; Brzhezinskaya, M.; Papadopoulou, L.; Vlachos, E.; Tsoukala, E.; Paloura, E. C.

2016-05-01

Synchrotron radiation micro-X-Ray Fluorescence (μ-XRF), X-ray photoelectron (XPS) and X-ray Absorption Fine Structure (XAFS) spectroscopies are applied for the study of paleontological findings. More specifically the costal plate of a gigantic terrestrial turtle Titanochelon bacharidisi and a fossilized coprolite of the cave spotted hyena Crocuta crocuta spelaea are studied. Ca L 2,3-edge NEXAFS and Ca 2p XPS are applied for the identification and quantification of apatite and Ca containing minerals. XRF mapping and XAFS are employed for the study of the spatial distribution and speciation of the minerals related to the deposition environment.

XPS and XANES studies of biomimetic composites based on B-type nano-hydroxyapatite

NASA Astrophysics Data System (ADS)

Goloshchapov, D. L.; Gushchin, M. S.; Kashkarov, V. M.; Seredin, P. V.; Ippolitov, Y. A.; Khmelevsky, N. O.; Aksenenko, A. Yu.

2018-06-01

The paper presents an investigation of the local atomic structure of nanocrystalline carbonate-substituted hydroxyapatite (CHAP) contained in biomimetic composites - analogues of intact human tooth tissues. Using the XPS technique, the presence of impurity Mg and F atoms and structurally bound carbon in CHAP, at the concentrations typical of apatite enamel and dentine was determined. The XANES method was used to study the changes occurring in P L2,3 spectra of biocomposites with CHAP, depending on the percentage of the amino acid matrix. The appearance of maxima in the spectra of XANES P L2,3 near 135.7 eV for the samples with the composition of amino acid complex/hydroxyapatite - 5/95, 25/75 and the splitting of a broad peak of 146.9 eV in the spectrum of a biocomposite with a composition of 40/60 indicates at the interaction of molecular complex of amino acids with atomic environment of phosphorus. This fact can be used in the fundamental medicine for synthesizing of new biomaterials in dentistry.

Theoretical modeling of the uranium 4f XPS for U(VI) and U(IV) oxides

NASA Astrophysics Data System (ADS)

Bagus, Paul S.; Nelin, Connie J.; Ilton, Eugene S.

2013-12-01

A rigorous study is presented of the physical processes related to X-Ray photoelectron spectroscopy, XPS, in the 4f level of U oxides, which, as well as being of physical interest in themselves, are representative of XPS in heavy metal oxides. In particular, we present compelling evidence for a new view of the screening of core-holes that extends prior understandings. Our analysis of the screening focuses on the covalent mixing of high lying U and O orbitals as opposed to the, more common, use of orbitals that are nominally pure U or pure O. It is shown that this covalent mixing is quite different for the initial and final, core-hole, configurations and that this difference is directly related to the XPS satellite intensity. Furthermore, we show that the high-lying U d orbitals as well as the U(5f) orbital may both contribute to the core-hole screening, in contrast with previous work that has only considered screening through the U(5f) shell. The role of modifying the U-O interaction by changing the U-O distance has been investigated and an unexpected correlation between U-O distance and XPS satellite intensity has been discovered. The role of flourite and octahedral crystal structures for U(IV) oxides has been examined and relationships established between XPS features and the covalent interactions in the different structures. The physical views of XPS satellites as arising from shake processes or as arising from ligand to metal charge transfers are contrasted; our analysis provides strong support that shake processes give a more fundamental physical understanding than charge transfer. Our theoretical studies are based on rigorous, strictly ab initio determinations of the electronic structure of embedded cluster models of U oxides with formal U(VI) and U(IV) oxidation states. Our results provide a foundation that makes it possible to establish quantitative relationships between features of the XPS spectra and materials properties.

Comparative study of the native oxide on 316L stainless steel by XPS and ToF-SIMS

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

Tardio, Sabrina, E-mail: s.tardio@surrey.ac.uk; Abel, Marie-Laure; Castle, James E.

2015-09-15

The very thin native oxide film on stainless steel, of the order of 2 nm, is known to be readily modified by immersion in aqueous media. In this paper, X-ray photoelectron spectroscopy (XPS) and time of flight secondary ions mass spectrometry are employed to investigate the nature of the air-formed film and modification after water emersion. The film is described in terms of oxide, hydroxide, and water content. The preferential dissolution of iron is shown to occur on immersion. It is shown that a water absorbed layer and a hydroxide layer are present above the oxide-like passive film. The concentrations ofmore » water and hydroxide appear to be higher in the case of exposure to water. A secure method for the peak fitting of Fe2p and Cr2p XPS spectra of such films on their metallic substrates is described. The importance of XPS survey spectra is underlined and the feasibility of C{sub 60}{sup +} SIMS depth profiling of a thin oxide layer is shown.« less

Morphology and Chemical Composition of soot particles emitted by Wood-burning Cook-Stoves: a HRTEM, XPS and Elastic backscattering Studies.

NASA Astrophysics Data System (ADS)

Carabali-Sandoval, G. A., Sr.; Castro, T.; Peralta, O.; De la Cruz, W.; Días, J.; Amelines, O.; Rivera-Hernández, M.; Varela, A.; Muñoz-Muñoz, F.; Policroniades, R.; Murillo, G.; Moreno, E.

2014-12-01

The morphology, microstructure and the chemical composition on surface of soot particles were studied by using high resolution transmission electron microscopy (HRTEM), X-ray photoelectron spectroscopy (XPS) and elastic backscattering spectrometry. In order to obtain freshly soot particles emitted by home-made wood-burning cook stoves, copper grids for Transmission Electron Microscope (TEM) were placed on the last two of an 8-stages MOUDI cascade impactor. The analysis of HRTEM micrographs revealed the nanostructure and the particle size of soot particles. The XPS survey spectra show a large carbon peak around 285 eV and the oxygen signal at 533 eV. Some differences observed in the carbon/oxygen (C/O) ratio of the particles probably depend on the combustion process efficiency of each cook-stove analyzed. The C-1s XPS spectra show an asymmetric broad peak and other with low intensity that corresponds to sp2 and sp3hybridization, which were fitted with a convolution using Gaussian functions. Elastic backscattering technique allows a chemical elemental analysis of samples and confirms the presence of C, O and Si observed by XPS. Additionally, the morphological properties of soot aggregates were analyzed calculating the border-based fractal dimension (Df). Particles exhibit complex shapes with high values of Df. Also, real-time absorption (σabs) and scattering (σsct) coefficients of fine (with aerodynamic diameter < 2.5 µm) soot particles were measured. The trend in σabs and σsct indicate that the cooking process has two important combustion stages which varied in its flaming strength, being vigorous in the first stage and soft in the second one.

Structural and functional predictors of regional peak pressures under the foot during walking.

PubMed

Morag, E; Cavanagh, P R

1999-04-01

The objective of this study was to identify structural and functional factors which are predictors of peak pressure underneath the human foot during walking. Peak plantar pressure during walking and eight data sets of structural and functional measures were collected on 55 asymptomatic subjects between 20 and 70 yr. A best subset regression approach was used to establish models which predicted peak regional pressure under the foot. Potential predictor variables were chosen from physical characteristics, anthropometric data, passive range of motion (PROM), measurements from standardized weight bearing foot radiographs, mechanical properties of the plantar soft tissue, stride parameters, foot motion in 3D, and EMG during walking. Peak pressure values under the rearfoot, midfoot, MTH1, and hallux were measured. Heel pressure was a function of linear kinematics, longitudinal arch structure, thickness of plantar soft tissue, and age. Midfoot pressure prediction was dominated by arch structure, while MTH1 pressure was a function of radiographic measurements, talo-crural joint motion, and gastrocnemius activity. Hallux pressure was a function of structural measures and MTP1 joint motion. Foot structure and function predicted only approximately 50% of the variance in peak pressure, although the relative contributions in different anatomical regions varied dramatically. Structure was dominant in predicting peak pressure under the midfoot and MTH1, while both structure and function were important at the heel and hallux. The predictive models developed in this study give insight into potential etiological factors associated with elevated plantar pressure. They also provide direction for future studies designed to reduce elevated pressure in "at-risk" patients.

Gold/silver core-shell 20 nm nanoparticles extracted from citrate solution examined by XPS

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

Engelhard, Mark H.; Smith, Jordan N.; Baer, Donald R.

Silver nanoparticles of many types are widely used in consumer and medical products. The surface chemistry of particles and the coatings that form during synthesis or use in many types of media can significantly impact the behaviors of particles including dissolution, transformation and biological or environmental impact. Consequently it is useful to be able to extract information about the thickness of surface coatings and other attributes of nanoparticles produced in a variety of ways. It has been demonstrated that X-ray Photoelectron Spectroscopy (XPS) can be reliably used to determine the thickness of organic and other nanoparticles coatings and shells. However,more » care is required to produce reliable and consistent information. Here we report the XPS spectra from gold/silver core-shell nanoparticles of nominal size 20 nm removed from a citrate saturated solution after one and two washing cycles. The Simulation of Electron Spectra for Surface Analysis (SESSA) program had been used to model peak amplitudes to obtain information on citrate coatings that remain after washing and demonstrate the presence of the gold core. This data is provided so that others can compare use of SESSA or other modeling approaches to quantify the nature of coatings to those already published and to explore the impacts particle non-uniformities on XPS signals from core-shell nanoparticles.« less

Acetate- and thiol-capped monodisperse ruthenium nanoparticles: XPS, XAS, and HRTEM studies.

PubMed

Chakroune, Nassira; Viau, Guillaume; Ammar, Souad; Poul, Laurence; Veautier, Delphine; Chehimi, Mohamed M; Mangeney, Claire; Villain, Françoise; Fiévet, Fernand

2005-07-19

Monodisperse ruthenium nanoparticles were prepared by reduction of RuCl3 in 1,2-propanediol. The mean particle size was controlled by appropriate choice of the reduction temperature and the acetate ion concentration. Colloidal solutions in toluene were obtained by coating the metal particles with dodecanethiol. High-resolution transmission electron microscopy (HRTEM), X-ray photoelectron spectroscopy (XPS), and X-ray absorption spectroscopy (XANES and EXAFS for the Ru K-absorption edge) were performed on particles of two different diameters, 2 and 4 nm, and in different environments, polyol/acetate or thiol. For particles stored in polyol/acetate XPS studies revealed superficial oxidation limited to one monolayer and a surface coating containing mostly acetate ions. Analysis of the EXAFS spectra showed both oxygen and ruthenium atoms around the ruthenium atoms with a Ru-Ru coordination number N smaller than the bulk value, as expected for fine particles. In the case of 2 nm acetate-capped particles N is consistent with particles made up of a metallic core and an oxidized monolayer. For 2 nm thiol-coated particles, a Ru-S bond was evidenced by XPS and XAS. For the 4 nm particles XANES and XPS studies showed that most of the ruthenium atoms are in the zerovalent state. Nevertheless, in both cases, when capped with thiol, the Ru-Ru coordination number inferred from EXAFS is much smaller than for particles of the same size stored in polyol. This is attributed to a structural disorganization of the particles by thiol chemisorption. HRTEM studies confirm the marked dependence of the structural properties of the ruthenium particles on their chemical environment; they show the acetate-coated particles to be single crystals, whereas the thiol-coated particles appear to be polycrystalline.

Anomalous Electron Spectrum and Its Relation to Peak Structure of Electron Scattering Rate in Cuprate Superconductors

NASA Astrophysics Data System (ADS)

Gao, Deheng; Mou, Yingping; Feng, Shiping

2018-02-01

The recent discovery of a direct link between the sharp peak in the electron quasiparticle scattering rate of cuprate superconductors and the well-known peak-dip-hump structure in the electron quasiparticle excitation spectrum is calling for an explanation. Within the framework of the kinetic-energy-driven superconducting mechanism, the complicated line-shape in the electron quasiparticle excitation spectrum of cuprate superconductors is investigated. It is shown that the interaction between electrons by the exchange of spin excitations generates a notable peak structure in the electron quasiparticle scattering rate around the antinodal and nodal regions. However, this peak structure disappears at the hot spots, which leads to that the striking peak-dip-hump structure is developed around the antinodal and nodal regions, and vanishes at the hot spots. The theory also confirms that the sharp peak observed in the electron quasiparticle scattering rate is directly responsible for the remarkable peak-dip-hump structure in the electron quasiparticle excitation spectrum of cuprate superconductors.

An in situ XPS study of L-cysteine co-adsorbed with water on polycrystalline copper and gold

NASA Astrophysics Data System (ADS)

Jürgensen, Astrid; Raschke, Hannes; Esser, Norbert; Hergenröder, Roland

2018-03-01

The interactions of biomolecules with metal surfaces are important because an adsorbed layer of such molecules introduces complex reactive functionality to the substrate. However, studying these interactions is challenging: they usually take place in an aqueous environment, and the structure of the first few monolayers on the surface is of particular interest, as these layers determine most interfacial properties. Ideally, this requires surface sensitive analysis methods that are operated under ambient conditions, for example ambient pressure x-ray photoelectron spectroscopy (AP-XPS). This paper focuses on an AP-XPS study of the interaction of water vapour and l-Cysteine on polycrystalline copper and gold surfaces. Thin films of l-Cysteine were characterized with XPS in UHV and in a water vapour atmosphere (P ≤ 1 mbar): the structure of the adsorbed l-Cysteine layer depended on substrate material and deposition method, and exposure of the surface to water vapour led to the formation of hydrogen bonds between H2O molecules and the COO- and NH2 groups of adsorbed l-Cysteine zwitterions and neutral molecules, respectively. This study also proved that it is possible to investigate monolayers of biomolecules in a gas atmosphere with AP-XPS using a conventional laboratory Al-Kα x-ray source.

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

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

Hui Tian; Binping Xiao; Michael Kelley

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

A near ambient pressure XPS study of subnanometer silver clusters on Al 2O 3 and TiO 2 ultrathin film supports

DOE PAGES

Mao, Bao -Hua; Chang, Rui; Shi, Lei; ...

2014-10-29

Here, we have investigated model systems of silver clusters with different sizes (3 and 15 atoms) deposited on alumina and titania supports using ambient pressure X-ray photoelectron spectroscopy. The electronic structures of silver clusters and support materials are studied upon exposure to various atmospheres (ultrahigh vacuum, O 2 and CO) at different temperatures. Compared to bulk silver, the binding energies of silver clusters are about 0.55 eV higher on TiO 2 and 0.95 eV higher on Al 2O 3 due to the final state effect and the interaction with supports. No clear size effect of the silver XPS peak ismore » observed on different silver clusters among these samples. Silver clusters on titania show better stability against sintering. Al 2p and Ti 2p core level peak positions of the alumina and titania support surfaces change upon exposure to oxygen while the Ag 3d core level position remains unchanged. We discuss the origin of these core level shifts and their implications for catalytic properties of Ag clusters.« less

Peaked signals from dark matter velocity structures in direct detection experiments

NASA Astrophysics Data System (ADS)

Lang, Rafael F.; Weiner, Neal

2010-06-01

In direct dark matter detection experiments, conventional elastic scattering of WIMPs results in exponentially falling recoil spectra. In contrast, theories of WIMPs with excited states can lead to nuclear recoil spectra that peak at finite recoil energies ER. The peaks of such signals are typically fairly broad, with ΔER/Epeak ~ 1. We show that in the presence of dark matter structures with low velocity dispersion, such as streams or clumps, peaks from up-scattering can become extremely narrow with FWHM of a few keV only. This differs dramatically from the conventionally expected WIMP spectrum and would, once detected, open the possibility to measure the dark matter velocity structure with high accuracy. As an intriguing example, we confront the observed cluster of 3 events near 42 keV from the CRESST commissioning run with this scenario. Inelastic dark matter particles with a wide range of parameters are capable of producing such a narrow peak. We calculate the possible signals at other experiments, and find that such particles could also give rise to the signal at DAMA, although not from the same stream. Over some range of parameters, a signal would be visible at xenon experiments. We show that such dark matter peaks are a very clear signal and can be easily disentangled from potential backgrounds, both terrestrial or due to WIMP down-scattering, by an enhanced annual modulation in both the amplitude of the signal and its spectral shape.

Surface Coverage and Structure of Mixed DNA/Alkylthiol Monolayers on Gold: Characterization by XPS, NEXAFS, and Fluorescence Intensity Measurements

PubMed Central

Lee, Chi-Ying; Gong, Ping; Harbers, Gregory M.; Grainger, David W.; Castner, David G.; Gamble, Lara J.

2006-01-01

Self-assembly of thiol-terminated single-stranded DNA (HS-ssDNA) on gold has served as an important model system for DNA immobilization at surfaces. Here, we report a detailed study of the surface composition and structure of mixed self-assembled DNA monolayers containing a short alkylthiol surface diluent [11-mercapto-1-undecanol (MCU)] on gold supports. These mixed DNA monolayers were studied with X-ray photoelectron spectroscopy (XPS), near-edge X-ray absorption fine structure spectroscopy (NEXAFS), and fluorescence intensity measurements. XPS results on sequentially adsorbed DNA/MCU monolayers on gold indicated that adsorbed MCU molecules first incorporate into the HS-ssDNA monolayer and, upon longer MCU exposures, displace adsorbed HS-ssDNA molecules from the surface. Thus, HS-ssDNA surface coverage steadily decreased with MCU exposure time. Polarization-dependent NEXAFS and fluorescence results both show changes in signals consistent with changes in DNA orientation after only 30 min of MCU exposure. NEXAFS polarization dependence (followed by monitoring the N 1s → π* transition) of the mixed DNA monolayers indicated that the DNA nucleotide base ring structures are oriented more parallel to the gold surface compared to DNA bases in pure HS-ssDNA monolayers. This indicates that HS-ssDNA oligomers reorient toward a more-upright position upon MCU incorporation. Fluorescence intensity results using end-labeled DNA probes on gold show little observable fluorescence on pure HS-ssDNA monolayers, likely due to substrate quenching effects between the fluorophore and the gold. MCU diluent incorporation into HS-ssDNA monolayers initially increases DNA fluorescence signal by densifying the chemisorbed monolayer, prompting an upright orientation of the DNA, and moving the terminal fluorophore away from the substrate. Immobilized DNA probe density and DNA target hybridization in these mixed DNA monolayers, as well as effects of MCU diluent on DNA hybridization in complex

Spectroellipsometric, AFM and XPS probing of stainless steel surfaces subjected to biological influences

NASA Astrophysics Data System (ADS)

Vinnichenko, M.; Chevolleau, Th; Pham, M. T.; Poperenko, L.; Maitz, M. F.

2002-11-01

Surface modification of austenitic stainless steel (SS) 316L after incubation in growing cell cultures and cell-free media as control has been studied. The following treatments were applied: mouse fibrosarcoma cells L929 for 3 and 7 days, polymorphonuclear neutrophils for 3 and 7 days and human osteosarcoma cells SAOS-2 for 7 and 14 days. Cells were enzymatically removed in all cases. The modified surfaces were probed in comparison with untreated ones by means of spectroscopic ellipsometry (SE), X-ray photoelectron spectroscopy (XPS) and atomic force microscopy (AFM). XPS shows the appearance of the peak of bonded nitrogen at 400.5 eV characteristic for adsorbed proteins on the surface for each type of cells and for the cell-free medium. Migration of Ni in the adsorbed layer is observed in all cases for samples after the cell cultures. The protein layer thickness is ellipsometrically determined to be within 2.5-6.0 nm for all treated samples with parameterization of its optical constants in Cauchy approach. The study showed that for such biological treatments of the SS the protein layer adsorption is the dominating process in the first 2 weeks, which could play a role in the process of corrosion by complex forming properties with metal ions.

Roof structural system, similar in design to peaked roofs of ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

Roof structural system, similar in design to peaked roofs of rolling mill, yet note abandonment of phoenix columns for compression members. - Phoenix Iron Company, Girder Shop No. 6, North of French Creek, west of Gay Street, Phoenixville, Chester County, PA

Extended study on oxidation behaviors of UN0.68 and UN1.66 by XPS

NASA Astrophysics Data System (ADS)

Luo, Lizhu; Hu, Yin; Pan, Qifa; Long, Zhong; Lu, Lei; Liu, Kezhao; Wang, Xiaolin

2018-04-01

The surface oxidation behaviors of UN0.68 and UN1.66 thin films are investigated by X-ray photoelectron spectroscopy (XPS), and the traditional U4f/N1s, O1s, valence band spectra as well as the unconventional U4d and U5d spectra are collected for the understanding of their oxidation behavior in-depth. Similar asymmetrical peak shape of the U4f spectra to uranium is observed for both uranium nitrides, despite of a slight shift to higher energy side for UN1.66 clean surface. However, significant difference among the corresponding spectra of UN0.68 and UN1.66 during oxidation reveals the distinctive properties of each own. The coexistence of UO2-x, UO2 and UO2-x.Ny on UN0.68 surface results in the peculiar features of U4f spectra as well as the others within the XPS energy scale, where peaks of the oxidized species firstly shift to higher energy side compared to the clean surface, and then return closely towards those of stoichiometric UO2. For UN1.66, the generation of U-N-O ternary compounds on the surface is identified with the symmetrical U4f peaks at 379.9eV and 390.8 eV, which locate intermediate between UO2 and UN1.66, and gradually expanding to higher energy side during the progressive oxidation. Furthermore, the formation of N-O species on UN1.66 surface is also detected as an oxidation product. The metallic character of UN1.66 is identified by the intense signal at Fermi level, which is greatly suppressed by the increasing oxygen exposure and implies the weakening metallic properties of the as-generated U-N-O compounds. Higher uranium oxides, such as UO3 and U4O9, are deduced to be the final oxidation products, and a multistage mechanism for UN1.66 following the exposure to oxygen is discussed.

Microminiature high-resolution linear displacement sensor for peak strain detection in smart structures

NASA Astrophysics Data System (ADS)

Arms, Steven W.; Guzik, David C.; Townsend, Christopher P.

1998-07-01

Critical civil and military structures require 'smart' sensors in order to report their strain histories; this can help to insure safe operation after exposure to potentially damaging loads. A passive resetable peak strain detector was developed by modifying the mechanics of a differential variable reluctance transducer. The peak strain detector was attached to an aluminum test beam along with a bonded resistance strain gauge and a standard DVRT. Strain measurements were recorded during cyclic beam deflections. DVRT output was compared to the bonded resistance strain gauge output, yielding correlation coefficients ranging from 0.9989 to 0.9998 for al teste, including re-attachment of the DVRT to the specimen. Peak bending strains were obtained by the modified peak detect DVRT to the specimen. Peak bending strains were obtained by the modified peak detect DVRT and this was compared to the peak bending strains as measured by the bonded strain gauge. The peak detect DVRT demonstrated an accuracy of approximately +/- 5 percent over a peak range of 2000 to 2800 microstrain.

NEXAFS and XPS characterization of molecular oxygen adsorbed on Ni(100) at 80 K

NASA Astrophysics Data System (ADS)

Kim, C. M.; Jeong, H. S.; Kim, E. H.

2000-07-01

X-ray photoelectron spectroscopy (XPS), thermal desorption spectroscopy (TDS) and near edge extended X-ray absorption fine structure (NEXAFS) have been combined to investigate the adsorption of oxygen on Ni(100) at 80 K. Three O(1s) XPS features were observed at 530.0, 531.1 and 534.7 eV when the Ni(100) surface was exposed to 600 L of oxygen at 80 K. They are assigned as O 2-, O 1- and molecular oxygen species, respectively. The presence of molecular oxygen has been confirmed by TDS and NEXAFS. Molecular O 2 on Ni(100) is oriented perpendicular to the surface, and the OO bond length is estimated to be 1.24 Å, based on the NEXAFS σ ∗ resonance energy.

Automated peak picking and peak integration in macromolecular NMR spectra using AUTOPSY.

PubMed

Koradi, R; Billeter, M; Engeli, M; Güntert, P; Wüthrich, K

1998-12-01

A new approach for automated peak picking of multidimensional protein NMR spectra with strong overlap is introduced, which makes use of the program AUTOPSY (automated peak picking for NMR spectroscopy). The main elements of this program are a novel function for local noise level calculation, the use of symmetry considerations, and the use of lineshapes extracted from well-separated peaks for resolving groups of strongly overlapping peaks. The algorithm generates peak lists with precise chemical shift and integral intensities, and a reliability measure for the recognition of each peak. The results of automated peak picking of NOESY spectra with AUTOPSY were tested in combination with the combined automated NOESY cross peak assignment and structure calculation routine NOAH implemented in the program DYANA. The quality of the resulting structures was found to be comparable with those from corresponding data obtained with manual peak picking. Copyright 1998 Academic Press.

Versailles Project on Advanced Materials and Standards Interlaboratory Study on Measuring the Thickness and Chemistry of Nanoparticle Coatings Using XPS and LEIS.

PubMed

Belsey, Natalie A; Cant, David J H; Minelli, Caterina; Araujo, Joyce R; Bock, Bernd; Brüner, Philipp; Castner, David G; Ceccone, Giacomo; Counsell, Jonathan D P; Dietrich, Paul M; Engelhard, Mark H; Fearn, Sarah; Galhardo, Carlos E; Kalbe, Henryk; Won Kim, Jeong; Lartundo-Rojas, Luis; Luftman, Henry S; Nunney, Tim S; Pseiner, Johannes; Smith, Emily F; Spampinato, Valentina; Sturm, Jacobus M; Thomas, Andrew G; Treacy, Jon P W; Veith, Lothar; Wagstaffe, Michael; Wang, Hai; Wang, Meiling; Wang, Yung-Chen; Werner, Wolfgang; Yang, Li; Shard, Alexander G

2016-10-27

We report the results of a VAMAS (Versailles Project on Advanced Materials and Standards) inter-laboratory study on the measurement of the shell thickness and chemistry of nanoparticle coatings. Peptide-coated gold particles were supplied to laboratories in two forms: a colloidal suspension in pure water and; particles dried onto a silicon wafer. Participants prepared and analyzed these samples using either X-ray photoelectron spectroscopy (XPS) or low energy ion scattering (LEIS). Careful data analysis revealed some significant sources of discrepancy, particularly for XPS. Degradation during transportation, storage or sample preparation resulted in a variability in thickness of 53 %. The calculation method chosen by XPS participants contributed a variability of 67 %. However, variability of 12 % was achieved for the samples deposited using a single method and by choosing photoelectron peaks that were not adversely affected by instrumental transmission effects. The study identified a need for more consistency in instrumental transmission functions and relative sensitivity factors, since this contributed a variability of 33 %. The results from the LEIS participants were more consistent, with variability of less than 10 % in thickness and this is mostly due to a common method of data analysis. The calculation was performed using a model developed for uniform, flat films and some participants employed a correction factor to account for the sample geometry, which appears warranted based upon a simulation of LEIS data from one of the participants and comparison to the XPS results.

Versailles Project on Advanced Materials and Standards Interlaboratory Study on Measuring the Thickness and Chemistry of Nanoparticle Coatings Using XPS and LEIS

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

Belsey, Natalie A.; Cant, David J. H.; Minelli, Caterina

We report the results of a VAMAS (Versailles Project on Advanced Materials and Standards) inter-laboratory study on the measurement of the shell thickness and chemistry of nanoparticle coatings. Peptide-coated gold particles were supplied to laboratories in two forms: a colloidal suspension in pure water and; particles dried onto a silicon wafer. Participants prepared and analyzed these samples using either X-ray photoelectron spectroscopy (XPS) or low energy ion scattering (LEIS). Careful data analysis revealed some significant sources of discrepancy, particularly for XPS. Degradation during transportation, storage or sample preparation resulted in a variability in thickness of 53 %. The calculation methodmore » chosen by XPS participants contributed a variability of 67 %. However, variability of 12 % was achieved for the samples deposited using a single method and by choosing photoelectron peaks that were not adversely affected by instrumental transmission effects. The study identified a need for more consistency in instrumental transmission functions and relative sensitivity factors, since this contributed a variability of 33 %. The results from the LEIS participants were more consistent, with variability of less than 10 % in thickness and this is mostly due to a common method of data analysis. The calculation was performed using a model developed for uniform, flat films and some participants employed a correction factor to account for the sample geometry, which appears warranted based upon a simulation of LEIS data from one of the participants and comparison to the XPS results.« less

Quantitative depth profiling of Ce(3+) in Pt/CeO2 by in situ high-energy XPS in a hydrogen atmosphere.

PubMed

Kato, Shunsuke; Ammann, Markus; Huthwelker, Thomas; Paun, Cristina; Lampimäki, Markus; Lee, Ming-Tao; Rothensteiner, Matthäus; van Bokhoven, Jeroen A

2015-02-21

The redox property of ceria is a key factor in the catalytic activity of ceria-based catalysts. The oxidation state of well-defined ceria nanocubes in gas environments was analysed in situ by a novel combination of near-ambient pressure X-ray Photoelectron Spectroscopy (XPS) and high-energy XPS at a synchrotron X-ray source. In situ high-energy XPS is a promising new tool to determine the electronic structure of matter under defined conditions. The aim was to quantitatively determine the degree of cerium reduction in a nano-structured ceria-supported platinum catalyst as a function of the gas environment. To obtain a non-destructive depth profile at near-ambient pressure, in situ high-energy XPS analysis was performed by varying the kinetic energy of photoelectrons from 1 to 5 keV, and, thus, the probing depth. In ceria nanocubes doped with platinum, oxygen vacancies formed only in the uppermost layers of ceria in an atmosphere of 1 mbar hydrogen and 403 K. For pristine ceria nanocubes, no change in the cerium oxidation state in various hydrogen or oxygen atmospheres was observed as a function of probing depth. In the absence of platinum, hydrogen does not dissociate and, thus, does not lead to reduction of ceria.

A dimensionless approach for the runoff peak assessment: effects of the rainfall event structure

NASA Astrophysics Data System (ADS)

Gnecco, Ilaria; Palla, Anna; La Barbera, Paolo

2018-02-01

The present paper proposes a dimensionless analytical framework to investigate the impact of the rainfall event structure on the hydrograph peak. To this end a methodology to describe the rainfall event structure is proposed based on the similarity with the depth-duration-frequency (DDF) curves. The rainfall input consists of a constant hyetograph where all the possible outcomes in the sample space of the rainfall structures can be condensed. Soil abstractions are modelled using the Soil Conservation Service method and the instantaneous unit hydrograph theory is undertaken to determine the dimensionless form of the hydrograph; the two-parameter gamma distribution is selected to test the proposed methodology. The dimensionless approach is introduced in order to implement the analytical framework to any study case (i.e. natural catchment) for which the model assumptions are valid (i.e. linear causative and time-invariant system). A set of analytical expressions are derived in the case of a constant-intensity hyetograph to assess the maximum runoff peak with respect to a given rainfall event structure irrespective of the specific catchment (such as the return period associated with the reference rainfall event). Looking at the results, the curve of the maximum values of the runoff peak reveals a local minimum point corresponding to the design hyetograph derived according to the statistical DDF curve. A specific catchment application is discussed in order to point out the dimensionless procedure implications and to provide some numerical examples of the rainfall structures with respect to observed rainfall events; finally their effects on the hydrograph peak are examined.

XPS studies of Mg doped GDC (Ce0.8Gd0.2O2-δ) for IT-SOFC

NASA Astrophysics Data System (ADS)

Tyagi, Deepak; Rao, P. Koteswara; Wani, B. N.

2018-04-01

Fuel Cells have gained much attention as efficient and environment friendly device for both stationary as well as mobile applications. For intermediate temperature SOFC (IT-SOFC), ceria based electrolytes are the most promising one, due to their higher ionic conductivity at relatively lower temperatures. Gd doped ceria is reported to be having the highest ionic conductivity. In the present work, Mg is codoped along with Gd and the electronic structure of the constituents is studied by XPS. XPS confirm that the Cerium is present in +4 oxidation state only which indicates that electronic conduction can be completely avoided.

XPS Protocol for the Characterization of Pristine and Functionalized Single Wall Carbon Nanotubes

NASA Technical Reports Server (NTRS)

Sosa, E. D.; Allada, R.; Huffman, C. B.; Arepalli, S.

2009-01-01

Recent interest in developing new applications for carbon nanotubes (CNT) has fueled the need to use accurate macroscopic and nanoscopic techniques to characterize and understand their chemistry. X-ray photoelectron spectroscopy (XPS) has proved to be a useful analytical tool for nanoscale surface characterization of materials including carbon nanotubes. Recent nanotechnology research at NASA Johnson Space Center (NASA-JSC) helped to establish a characterization protocol for quality assessment for single wall carbon nanotubes (SWCNTs). Here, a review of some of the major factors of the XPS technique that can influence the quality of analytical data, suggestions for methods to maximize the quality of data obtained by XPS, and the development of a protocol for XPS characterization as a complementary technique for analyzing the purity and surface characteristics of SWCNTs is presented. The XPS protocol is then applied to a number of experiments including impurity analysis and the study of chemical modifications for SWCNTs.

XPS characterization of silver exchanged ETS-10 and mordenite molecular sieves.

PubMed

Anson, A; Maham, Y; Lin, C C H; Kuznicki, T M; Kuznicki, S M

2009-05-01

Silver exchanged molecular sieves ETS-10 (Ag-ETS-10) and mordenite (Ag-mordenite) were dehydrated under vacuum at temperatures between 100 degrees C-350 degrees C. Changes in the state of the silver were studied using X-ray photoelectron spectroscopy (XPS). Silver cations in titanosilicate Ag-ETS-10 are fully reduced to Ag(0) at temperatures as low as 150 degrees C. The characteristic features of the XPS spectrum of silver in this Ag-ETS-10 species correspond to only metallic silver. The signal for metallic silver is not observed in the XPS spectrum of aluminosilicate Ag-mordenite, indicating that silver cations are not reduced, even after heating to 350 degrees C.

Projection Effects of Large-scale Structures on Weak-lensing Peak Abundances

NASA Astrophysics Data System (ADS)

Yuan, Shuo; Liu, Xiangkun; Pan, Chuzhong; Wang, Qiao; Fan, Zuhui

2018-04-01

High peaks in weak lensing (WL) maps originate dominantly from the lensing effects of single massive halos. Their abundance is therefore closely related to the halo mass function and thus a powerful cosmological probe. However, besides individual massive halos, large-scale structures (LSS) along lines of sight also contribute to the peak signals. In this paper, with ray-tracing simulations, we investigate the LSS projection effects. We show that for current surveys with a large shape noise, the stochastic LSS effects are subdominant. For future WL surveys with source galaxies having a median redshift z med ∼ 1 or higher, however, they are significant. For the cosmological constraints derived from observed WL high-peak counts, severe biases can occur if the LSS effects are not taken into account properly. We extend the model of Fan et al. by incorporating the LSS projection effects into the theoretical considerations. By comparing with simulation results, we demonstrate the good performance of the improved model and its applicability in cosmological studies.

Occurrence of the dayside three-peak density structure in the F2 and the topside ionosphere

NASA Astrophysics Data System (ADS)

Astafyeva, Elvira; Zakharenkova, Irina; Pineau, Yann

2016-07-01

In this work, we discuss the occurrence of the dayside three-peak electron density structure in the ionosphere. We first use a set of ground-based and satellite-borne instruments to demonstrate the development of a large-amplitude electron density perturbation at the recovery phase of a moderate storm of 11 October 2008. The perturbation developed in the F2 and low topside ionospheric regions over the American sector; it was concentrated on the north from the equatorial ionization anomaly (EIA) but was clearly separated from it. At the F2 region height, the amplitude of the observed perturbation was comparable or even exceeded that of the EIA. Further analysis of the observational data together with the Coupled Thermosphere Ionosphere Plasmasphere Electrodynamics model simulation results showed that a particular local combination of the thermospheric wind surges provided favorable conditions for the generation of the three-peak EIA structure. We further proceed with a statistical study of occurrence of the three-peak density structure in the ionosphere in general. Based on the analysis of 7 years of the in situ data from CHAMP satellite, we found that such three-peak density structure occurs sufficiently often during geomagnetically quiet time. The third ionization peak develops in the afternoon hours in the summer hemisphere at solstice periods. Based on analysis of several quiet time events, we conclude that during geomagnetically quiet time, the prevailing summer-to-winter thermospheric circulation acts in similar manner as the storm-time enhanced thermospheric winds, playing the decisive role in generation of the third ionization peak in the daytime ionosphere.

Applications of XPS in the characterization of Battery materials

DOE PAGES

Shutthanandan, Vaithiyalingam; Nandasiri, Manjula; Zheng, Jianming; ...

2018-05-26

In this study, technological development requires reliable power sources where energy storage devices are emerging as a critical component. Wide range of energy storage devices, Redox-flow batteries (RFB), Lithium ion based batteries (LIB), and Lithium-sulfur (LSB) batteries are being developed for various applications ranging from grid-scale level storage to mobile electronics. Material complexities associated with these energy storage devices with unique electrochemistry are formidable challenge which needs to be address for transformative progress in this field. X-ray photoelectron spectroscopy (XPS) - a powerful surface analysis tool - has been widely used to study these energy storage materials because of itsmore » ability to identify, quantify and image the chemical distribution of redox active species. However, accessing the deeply buried solid-electrolyte interfaces (which dictates the performance of energy storage devices) has been a challenge in XPS usage. Herein we report our recent efforts to utilize the XPS to gain deep insight about these interfaces under realistic conditions with varying electrochemistry involving RFB, LIB and LSB.« less

Applications of XPS in the characterization of Battery materials

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

Shutthanandan, Vaithiyalingam; Nandasiri, Manjula; Zheng, Jianming

In this study, technological development requires reliable power sources where energy storage devices are emerging as a critical component. Wide range of energy storage devices, Redox-flow batteries (RFB), Lithium ion based batteries (LIB), and Lithium-sulfur (LSB) batteries are being developed for various applications ranging from grid-scale level storage to mobile electronics. Material complexities associated with these energy storage devices with unique electrochemistry are formidable challenge which needs to be address for transformative progress in this field. X-ray photoelectron spectroscopy (XPS) - a powerful surface analysis tool - has been widely used to study these energy storage materials because of itsmore » ability to identify, quantify and image the chemical distribution of redox active species. However, accessing the deeply buried solid-electrolyte interfaces (which dictates the performance of energy storage devices) has been a challenge in XPS usage. Herein we report our recent efforts to utilize the XPS to gain deep insight about these interfaces under realistic conditions with varying electrochemistry involving RFB, LIB and LSB.« less

Transcription analysis of pilS and xpsEL genes from Xylella fastidiosa.

PubMed

Coltri, Patricia P; Rosato, Yoko B

2005-04-01

Xylella fastidiosa is a xylem-limited phytopathogen responsible for diseases in several plants such as citrus and coffee. Analysis of the bacterial genome revealed some putative pathogenicity-related genes that could help to elucidate the molecular mechanisms of plant-pathogen interactions. In the present work, the transcription of three genes of the bacterium, grown in defined and rich media and also in media containing host plant extracts (sweet orange, 'ponkan' and coffee) was analyzed by RT-PCR. The pilS gene, which encodes a sensor histidine kinase responsible for the biosynthesis of fimbriae, was transcribed when the bacterium was grown in more complex media such as PW and in medium containing plant extracts. The xps genes (xpsL and xpsE) which are related to the type II secretion system were also detected when the bacterium was grown in rich media and media with 'ponkan' and coffee extracts. It was thus observed that pilS and xpsEL genes of X. fastidiosa can be modulated by environmental factors and their expression is dependent on the nutritional status of the growth medium.

Fine Structure in the Secondary Electron Emission Peak for Diamond Crystal with (100) Negative Electron Affinity Surface

NASA Technical Reports Server (NTRS)

Asnin, V. M.; Krainsky, I. L.

1998-01-01

A fine structure was discovered in the low-energy peak of the secondary electron emission spectra of the diamond surface with negative electron affinity. We studied this structure for the (100) surface of the natural type-IIb diamond crystal. We have found that the low-energy peak consists of a total of four maxima. The relative energy positions of three of them could be related to the electron energy minima near the bottom of the conduction band. The fourth peak, having the lowest energy, was attributed to the breakup of the bulk exciton at the surface during the process of secondary electron emission.

Combined PIXE and XPS analysis on republican and imperial Roman coins

NASA Astrophysics Data System (ADS)

Daccà, A.; Prati, P.; Zucchiatti, A.; Lucarelli, F.; Mandò, P. A.; Gemme, G.; Parodi, R.; Pera, R.

2000-03-01

A combined PIXE and XPS analysis has been performed on a few Roman coins of the republican and imperial age. The purpose was to investigate via XPS the nature and extent of patina in order to be capable of extracting PIXE data relative to the coins bulk. The inclusion of elements from the surface layer, altered by oxidation and inclusion, is a known source of uncertainty in PIXE analyses of coins, performed to assess the composition and the provenance.

X-PEEM, XPS and ToF-SIMS characterisation of xanthate induced chalcopyrite flotation: Effect of pulp potential

NASA Astrophysics Data System (ADS)

Kalegowda, Yogesh; Chan, Yuet-Loy; Wei, Der-Hsin; Harmer, Sarah L.

2015-05-01

Synchrotron-based X-ray photoemission electron microscopy (X-PEEM), X-ray photo-electron spectroscopy (XPS), time-of-flight secondary ion mass spectrometry (ToF-SIMS) and ultraviolet visible spectroscopy were used to characterize the flotation behaviour of chalcopyrite with xanthate at different processing conditions. The flotation recovery of chalcopyrite decreased from 97% under oxidative conditions (Eh ~ 385 mV SHE, pH 4) to 41% at a reductive potential of - 100 mV SHE (at pH 9). X-PEEM images constructed from the metal L3 absorption edges were used to produce near-edge X-ray absorption fine structure (NEXAFS) spectra from regions of interest, allowing the variability in mineral surface chemistry of each mineral particle to be analysed, and the effect of pulp potential (Eh) on the flotation of chalcopyrite to be determined. XPS, ToF-SIMS and NEXAFS analyses of chalcopyrite particles at oxidative conditions show that the surface was mildly oxidised and covered with adsorbed molecular CuEX. The Cu 2p XPS and Cu L2,3 NEXAFS spectra were dominated by CuI species attributed to bulk chalcopyrite and adsorbed CuEX. At a reductive potential of - 100 mV SHE, an increase in concentration of CuI and FeIII oxides and hydroxides was observed. X-PEEM analysis was able to show the presence of a low percentage of CuII oxides (CuO or Cu(OH)2) with predominantly CuI oxide (Cu2O) which is not evident in Cu 2p XPS spectra.

Combining automated peak tracking in SAR by NMR with structure-based backbone assignment from 15N-NOESY

PubMed Central

2012-01-01

Background Chemical shift mapping is an important technique in NMR-based drug screening for identifying the atoms of a target protein that potentially bind to a drug molecule upon the molecule's introduction in increasing concentrations. The goal is to obtain a mapping of peaks with known residue assignment from the reference spectrum of the unbound protein to peaks with unknown assignment in the target spectrum of the bound protein. Although a series of perturbed spectra help to trace a path from reference peaks to target peaks, a one-to-one mapping generally is not possible, especially for large proteins, due to errors, such as noise peaks, missing peaks, missing but then reappearing, overlapped, and new peaks not associated with any peaks in the reference. Due to these difficulties, the mapping is typically done manually or semi-automatically, which is not efficient for high-throughput drug screening. Results We present PeakWalker, a novel peak walking algorithm for fast-exchange systems that models the errors explicitly and performs many-to-one mapping. On the proteins: hBclXL, UbcH5B, and histone H1, it achieves an average accuracy of over 95% with less than 1.5 residues predicted per target peak. Given these mappings as input, we present PeakAssigner, a novel combined structure-based backbone resonance and NOE assignment algorithm that uses just 15N-NOESY, while avoiding TOCSY experiments and 13C-labeling, to resolve the ambiguities for a one-to-one mapping. On the three proteins, it achieves an average accuracy of 94% or better. Conclusions Our mathematical programming approach for modeling chemical shift mapping as a graph problem, while modeling the errors directly, is potentially a time- and cost-effective first step for high-throughput drug screening based on limited NMR data and homologous 3D structures. PMID:22536902

XUV Photometer System (XPS): New Dark-Count Corrections Model and Improved Data Products

NASA Astrophysics Data System (ADS)

Elliott, J. P.; Vanier, B.; Woods, T. N.

2017-12-01

We present newly updated dark-count calibrations for the SORCE XUV Photometer System (XPS) and the resultant improved data products released in March of 2017. The SORCE mission has provided a 14-year solar spectral irradiance record, and the XPS contributes to this record in the 0.1 nm to 40 nm range. The SORCE spacecraft has been operating in what is known as Day-Only Operations (DO-Op) mode since February of 2014. In this mode it is not possible to collect data, including dark-counts, when the spacecraft is in eclipse as we did prior to DO-Op. Instead, we take advantage of the position of the XPS filter-wheel, and collect these data when the wheel position is in a "dark" position. Further, in this mode dark data are not always available for all observations, requiring an extrapolation in order to calibrate data at these times. To extrapolate, we model this with a piece-wise 2D nonlinear least squares surface fit in the time and temperature dimensions. Our model allows us to calibrate XPS data into the DO-Op phase of the mission by extrapolating along this surface. The XPS version 11 data product release benefits from this new calibration. We present comparisons of the previous and current calibration methods in addition to planned future upgrades of our data products.

TiO2 with controlled nanoring/nanotube hierarchical structure: Multiabsorption oscillating peaks and photoelectrochemical properties

NASA Astrophysics Data System (ADS)

Sang, Lixia; Zhao, Yangbo; Niu, Youchen; Bai, Guangmei

2018-02-01

TiO2 with Nanoring/Nanotube (R/T) hierarchical structure can be prepared by tuning the oxidation time and oxidation voltage in the second step anodization. The resulting multiabsorption oscillating peaks in the visible light region present a strong dependence on the tube length which are derived from the interference of light reflected from the top nanorings and the bottom Ti substrate, and the optical path length in TiO2 R/T hierarchical structure can be estimated as about 2 μm. The tube length of the as-prepared TiO2 photoelectrode affects greatly its saturation photocurrent density, and the different tube-wall thickness can change the photocurrent-saturation potential. Under simulated AM 1.5 irradiation (100 mW/cm2), TiO2 R/T hierarchical structure with tube diameters of 20-40 nm and tube length of about 1.5 μm shows higher photocurrent density and hydrogen production rate at the bias of 0 V (vs. Ag/AgCl). The results from the IPCE plots and I-t curves verify that TiO2 R/T hierarchical structure can exhibit the visible light activity, which is more related to the absorption induced by the defects rather than oscillating peaks. Based on the unique multiple light reflection in TiO2 R/T hierarchical structure, surface treatment will pave a way for the better utilization of oscillating peaks in the visible light region.

New insights into micro/nanoscale combined probes (nanoAuger, μXPS) to characterize Ag/Au@SiO2 core-shell assemblies

NASA Astrophysics Data System (ADS)

Ledeuil, J. B.; Uhart, A.; Soulé, S.; Allouche, J.; Dupin, J. C.; Martinez, H.

2014-09-01

This work has examined the elemental distribution and local morphology at the nanoscale of core@shell Ag/Au@SiO2 particles. The characterization of such complex metal/insulator materials becomes more efficient when using an initial cross-section method of preparation of the core@shell nanoparticles (ion milling cross polisher). The originality of this route of preparation allows one to obtain undamaged, well-defined and planar layers of cross-cut nano-objects. Once combined with high-resolution techniques of characterization (XPS, Auger and SEM), the process appears as a powerful way to minimize charging effects and enhance the outcoming electron signal (potentially affected by the topography of the material) during analysis. SEM experiments have unambiguously revealed the hollow-morphology of the metal core, while Auger spectroscopy observations showed chemical heterogeneity within the particles (as silver and gold are randomly found in the core ring). To our knowledge, this is the first time that Auger nano probe spectroscopy has been used and successfully optimized for the study of some complex metal/inorganic interfaces at such a high degree of resolution (~12 nm). Complementarily, XPS Au 4f and Ag 3d peaks were finally detected attesting the possibility of access to the whole chemistry of such nanostructured assemblies.This work has examined the elemental distribution and local morphology at the nanoscale of core@shell Ag/Au@SiO2 particles. The characterization of such complex metal/insulator materials becomes more efficient when using an initial cross-section method of preparation of the core@shell nanoparticles (ion milling cross polisher). The originality of this route of preparation allows one to obtain undamaged, well-defined and planar layers of cross-cut nano-objects. Once combined with high-resolution techniques of characterization (XPS, Auger and SEM), the process appears as a powerful way to minimize charging effects and enhance the outcoming

13C NMR and XPS characterization of anion adsorbent with quaternary ammonium groups prepared from rice straw, corn stalk and sugarcane bagasse

NASA Astrophysics Data System (ADS)

Cao, Wei; Wang, Zhenqian; Zeng, Qingling; Shen, Chunhua

2016-12-01

Despite amino groups modified crop straw has been intensively studied as new and low-cost adsorbent for removal of anionic species from water, there is still a lack of clear characterization for amino groups, especially quaternary ammonium groups in the surface of crop straw. In this study, we used 13C NMR and XPS technologies to characterize adsorbents with quaternary ammonium groups prepared from rice straw, corn stalk and sugarcane bagasse. 13C NMR spectra clearly showed the presence of quaternary ammonium groups in lignocelluloses structure of modified crop straw. The increase of nitrogen observed in XPS survey spectra also indicated the existence of quaternary ammonium group in the surface of the adsorbents. The curve fitting of high-resolution XPS N1s and C1s spectra were conducted to probe the composition of nitrogen and carbon contained groups, respectively. The results showed the proportion of quaternary ammonium group significantly increased in the prepared adsorbent's surface that was dominated by methyl/methylene, hydroxyl, quaternary ammonium, ether and carbonyl groups. This study proved that 13C NMR and XPS could be successfully utilized for characterization of quaternary ammonium modified crop straw adsorbents.

Sample-morphology effects on x-ray photoelectron peak intensities. II. Estimation of detection limits for thin-film materials

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

Powell, Cedric J., E-mail: cedric.powell@nist.gov; Werner, Wolfgang S. M.; Smekal, Werner

2014-09-01

The authors show that the National Institute of Standards and Technology database for the simulation of electron spectra for surface analysis (SESSA) can be used to determine detection limits for thin-film materials such as a thin film on a substrate or buried at varying depths in another material for common x-ray photoelectron spectroscopy (XPS) measurement conditions. Illustrative simulations were made for a W film on or in a Ru matrix and for a Ru film on or in a W matrix. In the former case, the thickness of a W film at a given depth in the Ru matrix wasmore » varied so that the intensity of the W 4d{sub 5/2} peak was essentially the same as that for a homogeneous RuW{sub 0.001} alloy. Similarly, the thickness of a Ru film at a selected depth in the W matrix was varied so that the intensity of the Ru 3p{sub 3/2} peak matched that from a homogeneous WRu{sub 0.01} alloy. These film thicknesses correspond to the detection limits of each minor component for measurement conditions where the detection limits for a homogeneous sample varied between 0.1 at. % (for the RuW{sub 0.001} alloy) and 1 at. % (for the WRu{sub 0.01} alloy). SESSA can be similarly used to convert estimates of XPS detection limits for a minor species in a homogeneous solid to the corresponding XPS detection limits for that species as a thin film on or buried in the chosen solid.« less

Investigation of the Structural, Electrical, and Optical Properties of the Nano-Scale GZO Thin Films on Glass and Flexible Polyimide Substrates

PubMed Central

Wang, Fang-Hsing; Chen, Kun-Neng; Hsu, Chao-Ming; Liu, Min-Chu; Yang, Cheng-Fu

2016-01-01

In this study, Ga2O3-doped ZnO (GZO) thin films were deposited on glass and flexible polyimide (PI) substrates at room temperature (300 K), 373 K, and 473 K by the radio frequency (RF) magnetron sputtering method. After finding the deposition rate, all the GZO thin films with a nano-scale thickness of about 150 ± 10 nm were controlled by the deposition time. X-ray diffraction patterns indicated that the GZO thin films were not amorphous and all exhibited the (002) peak, and field emission scanning electron microscopy showed that only nano-scale particles were observed. The dependences of the structural, electrical, and optical properties of the GZO thin films on different deposition temperatures and substrates were investigated. X-ray photoemission spectroscopy (XPS) was used to measure the elemental composition at the chemical and electronic states of the GZO thin films deposited on different substrates, which could be used to clarify the mechanism of difference in electrical properties of the GZO thin films. In this study, the XPS binding energy spectra of Ga2p3/2 and Ga2p1/2 peaks, Zn2p3/2 and Zn2p1/2 peaks, the Ga3d peak, and O1s peaks for GZO thin films on glass and PI substrates were well compared. PMID:28335216

Structural parameters associated with location of peaks of peripapillary retinal nerve fiber layer thickness in young healthy eyes.

PubMed

Yamashita, Takehiro; Asaoka, Ryo; Kii, Yuya; Terasaki, Hiroto; Murata, Hiroshi; Sakamoto, Taiji

2017-01-01

The location of the peaks of the circumpapillary retinal nerve fiber layer (cpRNFL) thickness is affected by several ocular parameters. In this study, we have generated equations that can determine the peaks of the cpRNFL. This study was a prospective, observational, cross sectional study of 118 healthy right eyes. The axial length, optic disc tilt, superiortemporal (ST)- and inferiortemporal (IT)-peaks of the cpRNFL thickness, and angles of the ST and IT retinal arteries (RA) and veins (RV) were determined. The correlations between the location of the ST- and IT-peaks and ocular structural parameters and the sex, body height and weight were calculated. The best fit equations to generate the location of the ST/IT-peaks were determined using corrected-Akaike Information Criteria. The location of the ST-peak was 0.72+(0.40 x ST-RA)+(0.27 x ST-RV)+(0.14 x height)-(0.47 x papillo-macular-position)-(0.11 x disc tilt) with a coefficient of correlation of 0.61 (P<0.0001). The location of the IT-peak was 21.88+(0.53 x IT-RA)+(0.15 x IT-RV)+(0.041 x corneal thickness)-(1.00 x axial length) with a coefficient of correlation of 0.59 (P<0.0001). The location of ST/IT peaks is determined by different parameters of the ocular structure. These equations allow clinicians to obtain an accurate location of the peaks for a more accurate diagnosis of glaucoma.

The Peak Structure and Future Changes of the Relationships Between Extreme Precipitation and Temperature

NASA Technical Reports Server (NTRS)

Wang, Guiling; Wang, Dagang; Trenberth, Kevin E.; Erfanian, Amir; Yu, Miao; Bosilovich, Michael G.; Parr, Dana T.

2017-01-01

Theoretical models predict that, in the absence of moisture limitation, extreme precipitation intensity could exponentially increase with temperatures at a rate determined by the Clausius-Clapeyron (C-C) relationship. Climate models project a continuous increase of precipitation extremes for the twenty-first century over most of the globe. However, some station observations suggest a negative scaling of extreme precipitation with very high temperatures, raising doubts about future increase of precipitation extremes. Here we show for the present-day climate over most of the globe,the curve relating daily precipitation extremes with local temperatures has a peak structure, increasing as expected at the low medium range of temperature variations but decreasing at high temperatures. However, this peak-shaped relationship does not imply a potential upper limit for future precipitation extremes. Climate models project both the peak of extreme precipitation and the temperature at which it peaks (T(sub peak)) will increase with warming; the two increases generally conform to the C-C scaling rate in mid- and high-latitudes,and to a super C-C scaling in most of the tropics. Because projected increases of local mean temperature (T(sub mean)) far exceed projected increases of T(sub peak) over land, the conventional approach of relating extreme precipitation to T(sub mean) produces a misleading sub-C-C scaling rate.

Reduction of mixed Mn-Zr oxides: in situ XPS and XRD studies.

PubMed

Bulavchenko, O A; Vinokurov, Z S; Afonasenko, T N; Tsyrul'nikov, P G; Tsybulya, S V; Saraev, A A; Kaichev, V V

2015-09-21

A series of mixed Mn-Zr oxides with different molar ratios Mn/Zr (0.1-9) have been prepared by coprecipitation of manganese and zirconium nitrates and characterized by X-ray diffraction (XRD) and BET methods. It has been found that at concentrations of Mn below 30 at%, the samples are single-phase solid solutions (MnxZr1-xO2-δ) based on a ZrO2 structure. X-ray photoelectron spectroscopy (XPS) measurements showed that manganese in these solutions exists mainly in the Mn(4+) state on the surface. An increase in Mn content mostly leads to an increase in the number of Mn cations in the structure of solid solutions; however, a part of the manganese cations form Mn2O3 and Mn3O4 in the crystalline and amorphous states. The reduction of these oxides with hydrogen was studied by a temperature-programmed reduction technique, in situ XRD, and near ambient pressure XPS in the temperature range from 100 to 650 °C. It was shown that the reduction of the solid solutions MnxZr1-xO2-δ proceeds via two stages. During the first stage, at temperatures between 100 and 500 °C, the Mn cations incorporated into the solid solutions MnxZr1-xO2-δ undergo partial reduction. During the second stage, at temperatures between 500 and 700 °C, Mn cations segregate on the surface of the solid solution. In the samples with more than 30 at% Mn, the reduction of manganese oxides was observed: Mn2O3 → Mn3O4 → MnO.

XPS and bioactivity study of the bisphosphonate pamidronate adsorbed onto plasma sprayed hydroxyapatite coatings

NASA Astrophysics Data System (ADS)

McLeod, Kate; Kumar, Sunil; Smart, Roger St. C.; Dutta, Naba; Voelcker, Nicolas H.; Anderson, Gail I.; Sekel, Ron

2006-12-01

This paper reports the use of X-ray photoelectron spectroscopy (XPS) to investigate bisphosphonate (BP) adsorption onto plasma sprayed hydroxyapatite (HA) coatings commonly used for orthopaedic implants. BPs exhibit high binding affinity for the calcium present in HA and hence can be adsorbed onto HA-coated implants to exploit their beneficial properties for improved bone growth at the implant interface. A rigorous XPS analysis of pamidronate, a commonly used nitrogenous BP, adsorbed onto plasma sprayed HA-coated cobalt-chromium substrates has been carried out, aimed at: (a) confirming the adsorption of this BP onto HA; (b) studying the BP diffusion profile in the HA coating by employing the technique of XPS depth profiling; (c) confirming the bioactivity of the adsorbed BP. XPS spectra of plasma sprayed HA-coated discs exposed to a 10 mM aqueous BP solution (pamidronate) for periods of 1, 2 and 24 h showed nitrogen and phosphorous photoelectron signals corresponding to the BP, confirming its adsorption onto the HA substrate. XPS depth profiling of the 2 h BP-exposed HA discs showed penetration of the BP into the HA matrix to depths of at least 260 nm. The bioactivity of the adsorbed BP was confirmed by the observed inhibition of osteoclast (bone resorbing) cell activity. In comparison to the HA sample, the HA sample with adsorbed BP exhibited a 25-fold decrease in primary osteoclast cells.

Surface Characterization of Polymer Blends by XPS and ToF-SIMS

PubMed Central

Chan, Chi Ming; Weng, Lu-Tao

2016-01-01

The surface properties of polymer blends are important for many industrial applications. The physical and chemical properties at the surface of polymer blends can be drastically different from those in the bulk due to the surface segregation of the low surface energy component. X-ray photoelectron spectroscopy (XPS) and time-of-flight secondary mass spectrometry (ToF-SIMS) have been widely used to characterize surface and bulk properties. This review provides a brief introduction to the principles of XPS and ToF-SIMS and their application to the study of the surface physical and chemical properties of polymer blends. PMID:28773777

Bayesian peak picking for NMR spectra.

PubMed

Cheng, Yichen; Gao, Xin; Liang, Faming

2014-02-01

Protein structure determination is a very important topic in structural genomics, which helps people to understand varieties of biological functions such as protein-protein interactions, protein-DNA interactions and so on. Nowadays, nuclear magnetic resonance (NMR) has often been used to determine the three-dimensional structures of protein in vivo. This study aims to automate the peak picking step, the most important and tricky step in NMR structure determination. We propose to model the NMR spectrum by a mixture of bivariate Gaussian densities and use the stochastic approximation Monte Carlo algorithm as the computational tool to solve the problem. Under the Bayesian framework, the peak picking problem is casted as a variable selection problem. The proposed method can automatically distinguish true peaks from false ones without preprocessing the data. To the best of our knowledge, this is the first effort in the literature that tackles the peak picking problem for NMR spectrum data using Bayesian method. Copyright © 2013. Production and hosting by Elsevier Ltd.

Bayesian Peak Picking for NMR Spectra

PubMed Central

Cheng, Yichen; Gao, Xin; Liang, Faming

2013-01-01

Protein structure determination is a very important topic in structural genomics, which helps people to understand varieties of biological functions such as protein-protein interactions, protein–DNA interactions and so on. Nowadays, nuclear magnetic resonance (NMR) has often been used to determine the three-dimensional structures of protein in vivo. This study aims to automate the peak picking step, the most important and tricky step in NMR structure determination. We propose to model the NMR spectrum by a mixture of bivariate Gaussian densities and use the stochastic approximation Monte Carlo algorithm as the computational tool to solve the problem. Under the Bayesian framework, the peak picking problem is casted as a variable selection problem. The proposed method can automatically distinguish true peaks from false ones without preprocessing the data. To the best of our knowledge, this is the first effort in the literature that tackles the peak picking problem for NMR spectrum data using Bayesian method. PMID:24184964

PONDEROSA, an automated 3D-NOESY peak picking program, enables automated protein structure determination.

PubMed

Lee, Woonghee; Kim, Jin Hae; Westler, William M; Markley, John L

2011-06-15

PONDEROSA (Peak-picking Of Noe Data Enabled by Restriction of Shift Assignments) accepts input information consisting of a protein sequence, backbone and sidechain NMR resonance assignments, and 3D-NOESY ((13)C-edited and/or (15)N-edited) spectra, and returns assignments of NOESY crosspeaks, distance and angle constraints, and a reliable NMR structure represented by a family of conformers. PONDEROSA incorporates and integrates external software packages (TALOS+, STRIDE and CYANA) to carry out different steps in the structure determination. PONDEROSA implements internal functions that identify and validate NOESY peak assignments and assess the quality of the calculated three-dimensional structure of the protein. The robustness of the analysis results from PONDEROSA's hierarchical processing steps that involve iterative interaction among the internal and external modules. PONDEROSA supports a variety of input formats: SPARKY assignment table (.shifts) and spectrum file formats (.ucsf), XEASY proton file format (.prot), and NMR-STAR format (.star). To demonstrate the utility of PONDEROSA, we used the package to determine 3D structures of two proteins: human ubiquitin and Escherichia coli iron-sulfur scaffold protein variant IscU(D39A). The automatically generated structural constraints and ensembles of conformers were as good as or better than those determined previously by much less automated means. The program, in the form of binary code along with tutorials and reference manuals, is available at http://ponderosa.nmrfam.wisc.edu/.

Interfaces in heterogeneous catalytic reactions: Ambient pressure XPS as a tool to unravel surface chemistry

DOE PAGES

Palomino, Robert M.; Hamlyn, Rebecca; Liu, Zongyuan; ...

2017-04-27

In this paper we provide a summary of the recent development of ambient pressure X-ray photoelectron spectroscopy (AP-XPS) and its application to catalytic surface chemistry. The methodology as well as significant advantages and challenges associated with this novel technique are described. Details about specific examples of using AP-XPS to probe surface chemistry under working reaction conditions for a number of reactions are explained: CO oxidation, water-gas shift (WGS), CO 2 hydrogenation, dry reforming of methane (DRM) and ethanol steam reforming (ESR). In conclusion, we discuss insights into the future development of the AP-XPS technique and its applications.

Interfaces in heterogeneous catalytic reactions: Ambient pressure XPS as a tool to unravel surface chemistry

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

Palomino, Robert M.; Hamlyn, Rebecca; Liu, Zongyuan

In this paper we provide a summary of the recent development of ambient pressure X-ray photoelectron spectroscopy (AP-XPS) and its application to catalytic surface chemistry. The methodology as well as significant advantages and challenges associated with this novel technique are described. Details about specific examples of using AP-XPS to probe surface chemistry under working reaction conditions for a number of reactions are explained: CO oxidation, water-gas shift (WGS), CO 2 hydrogenation, dry reforming of methane (DRM) and ethanol steam reforming (ESR). In conclusion, we discuss insights into the future development of the AP-XPS technique and its applications.

Two-peak structure in the K-edge RIXS spectra of a spatially frustrated Heisenberg antiferromagnet

NASA Astrophysics Data System (ADS)

Datta, Trinanjan; Luo, Cheng; Yao, Dao-Xin

2014-03-01

Quantum fluctuations due to spatial anisotropy and strong magnetic frustration lead to the formation of a two-peak structure in the K-edge bimagnon RIXS intensity spectra of a Jx-Jy-J2 Heisenberg model on a square lattice. We compute the RIXS intensity, including up to first order 1/S spin wave expansion correction, using the Bethe-Salpeter equation within the ladder approximation scheme. The two-peak feature occurs in both the antiferromagnetic phase and the collinear antiferromagnetic phase. A knowledge of the peak splitting energy from both magnetically ordered regime can provide experimentalists with an alternative means to measure and study the effects of local microscopic exchange constants. Cottrell Research Corporation, NSFC-11074310, NSFC-11275279, Specialized Research Fund for the Doctoral Program of Higher Education.

Prediction of peak response values of structures with and without TMD subjected to random pedestrian flows

NASA Astrophysics Data System (ADS)

Lievens, Klaus; Van Nimmen, Katrien; Lombaert, Geert; De Roeck, Guido; Van den Broeck, Peter

2016-09-01

In civil engineering and architecture, the availability of high strength materials and advanced calculation techniques enables the construction of slender footbridges, generally highly sensitive to human-induced excitation. Due to the inherent random character of the human-induced walking load, variability on the pedestrian characteristics must be considered in the response simulation. To assess the vibration serviceability of the footbridge, the statistics of the stochastic dynamic response are evaluated by considering the instantaneous peak responses in a time range. Therefore, a large number of time windows are needed to calculate the mean value and standard deviation of the instantaneous peak values. An alternative method to evaluate the statistics is based on the standard deviation of the response and a characteristic frequency as proposed in wind engineering applications. In this paper, the accuracy of this method is evaluated for human-induced vibrations. The methods are first compared for a group of pedestrians crossing a lightly damped footbridge. Small differences of the instantaneous peak value were found by the method using second order statistics. Afterwards, a TMD tuned to reduce the peak acceleration to a comfort value, was added to the structure. The comparison between both methods in made and the accuracy is verified. It is found that the TMD parameters are tuned sufficiently and good agreements between the two methods are found for the estimation of the instantaneous peak response for a strongly damped structure.

Upgrade of the Surface Spectrometer at NEPOMUC for PAES, XPS and STM Investigations

NASA Astrophysics Data System (ADS)

Zimnik, S.; Lippert, F.; Hugenschmidt, C.

2014-04-01

The characterization of the elemental composition of surfaces is of great importance for the understanding of many surface processes, such as surface segregation or oxidation. Positron-annihilation-induced Auger Electron Spectroscopy (PAES) is a powerful technique for gathering information about the elemental composition of only the topmost atomic layer of a sample. The upgraded surface spectrometer at NEPOMUC (NEtron induced POsitron source MUniCh) enables a comprehensive surface analysis with the complementary techniques STM, XPS and PAES. A new X-ray source for X-ray induced photoelectron spectroscopy (XPS) was installed to gather additional information on oxidation states. A new scanning tunneling microscope (STM) is used as a complementary method to investigate with atomic resolution the surface electron density. The combination of PAES, XPS and STM allows the characterization of both the elemental composition, and the surface topology.

Reduction and structural modification of zirconolite on He+ ion irradiation

NASA Astrophysics Data System (ADS)

Gupta, Merry; Kulriya, P. K.; Shukla, Rishabh; Dhaka, R. S.; Kumar, Raj; Ghumman, S. S.

2016-07-01

The immobilization of minor actinides and alkaline-earth metal is a major concern in nuclear industry due to their long-term radioactive contribution to the high level waste (HLW). Materials having zirconolite, pyrochlore, and perovskite structure are promising candidates for immobilization of HLW. The zirconolite which exhibits high radiation stability and corrosion resistance behavior is investigated for its radiation stability against alpha particles in the present study. CaZrTi2O7 pellets prepared using solid state reaction techniques, were irradiated with 30 keV He+ ions for the ion fluence varying from 1 × 1017 to 1 × 1021 ions/m2. Scanning electron microscopy (SEM) images of the un-irradiated sample exhibited well separated grains with average size of about 6.8 μm. On the ion irradiation, value of the average grains size was about 7.1 μm, and change in the microstructure was insignificant. The X-ray photoelectron spectroscopy (XPS) studies showed a shift in the core level peak position (of Ca 2p, Ti 2p and Zr 3d) towards lower binding energy with respect to pristine sample as well as loss of oxygen was also observed for sample irradiated with the ion fluence of 1 × 1020 ions/m2. These indicate a decrease in co-ordination number and the ionic character of Msbnd O bond. Moreover, core level XPS signal was not detected for sample irradiated with ion fluence of 1 × 1021 ions/m2, suggesting surface damage of the sample at this ion fluence. However, X-ray diffraction (XRD) studies showed that zirconolite was not amorphized even on irradiation up to a fluence order of 1 × 1021 ion/m2. But, significant decrease in peak intensity due to creation of defects and a marginal positive peak shift due to tensile strain induced by irradiation, were observed. Thus, XRD along with XPS investigation suggests that reduction, decrease in co-ordination number, and increase in covalency are responsible for the radiation damage in zirconolite.

Structure determination of disease associated peak AAA from l-Tryptophan implicated in the eosinophilia-myalgia syndrome.

PubMed

Klarskov, Klaus; Gagnon, Hugo; Boudreault, Pierre-Luc; Normandin, Chad; Plancq, Baptiste; Marsault, Eric; Gleich, Gerald J; Naylor, Stephen

2018-01-05

The eosinophilia-myalgia syndrome (EMS) outbreak of 1989 that occurred in the USA and elsewhere was caused by the ingestion of l-Tryptophan (L-Trp) solely manufactured by the Japanese company Showa Denko K.K. (SD). Six compounds present in the SD L-Trp were reported to be case-associated contaminants. However, "one" of these compounds, Peak AAA has remained structurally uncharacterized, despite the fact that it was described as "the only statistically significant (p=0.0014) contaminant". Here, we employ on-line microcapillary-high performance liquid chromatography-electrospray ionization mass spectrometry (LC-MS), and tandem mass spectrometry (MS/MS) to determine that Peak AAA is in fact two structurally related isomers. Peak AAA 1 and Peak AAA 2 differed in LC retention times, and were determined by accurate mass-LC-MS to both have a protonated molecular ion (MH +) of mass 343.239Da (Da), corresponding to a molecular formula of C 21 H 30 N 2 O 2, and possessing eight degrees of unsaturation (DoU) for the non-protonated molecule. By comparing the LC-MS and LC-MS-MS retention times and spectra with authentic synthetic standards, Peak AAA 1 was identified as the intermolecular condensation product of L-Trp with anteiso 7-methylnonanoic acid, to afford (S)-2-amino-3-(2-((S,E)-7-methylnon-1-en-1-yl)-1H-indol-3-yl)propanoic acid. Peak AAA 2 was determined to be a condensation product of L-Trp with decanoic acid, which produced (S)-2-amino-3-(2-((E)-dec-1-en-1-yl)-1H-indol-3-yl)propanoic acid. Copyright © 2017 Elsevier B.V. All rights reserved.

Effect of oxygen deficiency on electronic properties and local structure of amorphous tantalum oxide thin films

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

Denny, Yus Rama; Firmansyah, Teguh; Oh, Suhk Kun

2016-10-15

Highlights: • The effect of oxygen flow rate on electronic properties and local structure of tantalum oxide thin films was studied. • The oxygen deficiency induced the nonstoichiometric state a-TaOx. • A small peak at 1.97 eV above the valence band side appeared on nonstoichiometric Ta{sub 2}O{sub 5} thin films. • The oxygen flow rate can change the local electronic structure of tantalum oxide thin films. - Abstract: The dependence of electronic properties and local structure of tantalum oxide thin film on oxygen deficiency have been investigated by means of X-ray photoelectron spectroscopy (XPS), Reflection Electron Energy Loss Spectroscopy (REELS),more » and X-ray absorption spectroscopy (XAS). The XPS results showed that the oxygen flow rate change results in the appearance of features in the Ta 4f at the binding energies of 23.2 eV, 24.4 eV, 25.8, and 27.3 eV whose peaks are attributed to Ta{sup 1+}, Ta{sup 2+}, Ta{sup 3+}/Ta{sup 4+}, and Ta{sup 5+}, respectively. The presence of nonstoichiometric state from tantalum oxide (TaOx) thin films could be generated by the oxygen vacancies. In addition, XAS spectra manifested both the increase of coordination number of the first Ta-O shell and a considerable reduction of the Ta-O bond distance with the decrease of oxygen deficiency.« less

Generating high-peak-power structured lights in selectively pumped passively Q-switched lasers with astigmatic mode transformations

NASA Astrophysics Data System (ADS)

Chang, C. C.; Hsieh, Y. H.; Lee, C. Y.; Sung, C. L.; Tuan, P. H.; Tung, J. C.; Liang, H. C.; Chen, Y. F.

2017-12-01

Various high-order Hermite-Gaussian (HG) modes with high repetition rates and high peak powers are systematically generated by designing the cavity configuration to satisfy the criterion of the passive Q-switching. For the HG m,0 modes with the order m  =  1-9, the pulse repetition rate can exceed 100 kHz with peak power higher than 0.3 kW. For the HG m,m modes with the order m  =  1-10, the pulse repetition rate can be up to 37 kHz with peak power higher than 0.35 kW. Furthermore, the high-order HG beams is transformed by using an astigmatic mode converter to generate various structured lights with optical vortices. Experimental patterns of the transformed high-order HG beams in the propagation are theoretically analyzed and the phase structures are numerically manifested.

Physical and Chemical Behaviors of HCl on Ice Surface: Insights from an XPS and NEXAFS Study

NASA Astrophysics Data System (ADS)

Kong, X.; Waldner, A.; Orlando, F.; Birrer, M.; Artiglia, L.; Ammann, M.; Bartels-Rausch, T.

2016-12-01

Ice and snow play active roles for the water cycle, the energy budget of the Earth, and environmental chemistry in the atmosphere and cryosphere. Trace gases can be taken up by ice, and physical and chemical fates of the impurities could modify surface properties significantly and consequently influence atmospheric chemistry and the climate system. However, the understanding of chemical behaviour of impurities on ice surface are very poor, which is largely limited by the difficulties to apply high sensitivity experimental approaches to ambient air conditions, e.g. studies of volatile surfaces, because of the strict requirements of vacuum experimental conditions. In this study, we employed synchrotron-based X-ray photoelectron spectroscopy (XPS) and partial electron yield Near Edge X-ray Absorption Fine Structure (NEXAFS) in a state-of-the-art near-ambient pressure photoelectron (NAPP) spectroscopy end station. The NAPP enables to utilize the surface sensitive experimental methods, XPS and NEXAFS, on volatile surfaces, i.e. ice at temperatures approaching 0°C. XPS and NEXAFS together provide unique information of hydrogen bonding network, dopants surface concentration, dopant depth profile, and acidic dissociation on the surfaces1. Taking the advantages of the highly sensitive techniques, the adsorption, dissociation and depth profile of Hydrogen Chloride (HCl) on ice were studied. In brief, two states of Chloride on ice surface are identified from the adsorbed HCl, and they are featured with different depth profiles along the ice layers. Combining our results and previously reported constants from literatures (e.g. HCl diffusion coefficients in ice)2, a layered kinetic model has been constructed to fit the depth profiles of two states of Chloride. On the other side, pure ice and doped ice are compared for their surface structure change caused by temperature and the presence of HCl, which shows how the strong acid affect the ice surface in turn. 1. Orlando, F., et

New insights into micro/nanoscale combined probes (nanoAuger, μXPS) to characterize Ag/Au@SiO2 core-shell assemblies.

PubMed

Ledeuil, J B; Uhart, A; Soulé, S; Allouche, J; Dupin, J C; Martinez, H

2014-10-07

This work has examined the elemental distribution and local morphology at the nanoscale of core@shell Ag/Au@SiO2 particles. The characterization of such complex metal/insulator materials becomes more efficient when using an initial cross-section method of preparation of the core@shell nanoparticles (ion milling cross polisher). The originality of this route of preparation allows one to obtain undamaged, well-defined and planar layers of cross-cut nano-objects. Once combined with high-resolution techniques of characterization (XPS, Auger and SEM), the process appears as a powerful way to minimize charging effects and enhance the outcoming electron signal (potentially affected by the topography of the material) during analysis. SEM experiments have unambiguously revealed the hollow-morphology of the metal core, while Auger spectroscopy observations showed chemical heterogeneity within the particles (as silver and gold are randomly found in the core ring). To our knowledge, this is the first time that Auger nano probe spectroscopy has been used and successfully optimized for the study of some complex metal/inorganic interfaces at such a high degree of resolution (≈12 nm). Complementarily, XPS Au 4f and Ag 3d peaks were finally detected attesting the possibility of access to the whole chemistry of such nanostructured assemblies.

Electronic structure and phase separation of superconducting and nonsuperconducting KxFe2-ySe2 revealed by x-ray photoemission spectroscopy

NASA Astrophysics Data System (ADS)

Oiwake, M.; Ootsuki, D.; Noji, T.; Hatakeda, T.; Koike, Y.; Horio, M.; Fujimori, A.; Saini, N. L.; Mizokawa, T.

2013-12-01

We have investigated the electronic structure of superconducting (SC) and nonsuperconducting (non-SC) KxFe2-ySe2 using x-ray photoemission spectroscopy (XPS). The spectral shape of the Fe 2p XPS is found to depend on the amount of Fe vacancies. The Fe 2p3/2 peak of the SC and non-SC Fe-rich samples is accompanied by a shoulder structure on the lower binding energy side, which can be attributed to the metallic phase embedded in the Fe2+ insulating phase. The absence of the shoulder structure in the non-SC Fe-poor sample allows us to analyze the Fe 2p spectra using a FeSe4 cluster model. The Fe 3d-Se 4p charge-transfer energy of the Fe2+ insulating phase is found to be ˜2.3 eV which is smaller than the Fe 3d-Fe 3d Coulomb interaction of ˜3.5 eV. This indicates that the Fe2+ insulating state is the charge-transfer type in the Zaanen-Sawatzky-Allen scheme. We also find a substantial change in the valence-band XPS as a function of Fe content and temperature. The metallic state at the Fermi level is seen in the SC and non-SC Fe-rich samples and tends to be enhanced with cooling in the SC sample.

PONDEROSA, an automated 3D-NOESY peak picking program, enables automated protein structure determination

PubMed Central

Lee, Woonghee; Kim, Jin Hae; Westler, William M.; Markley, John L.

2011-01-01

Summary: PONDEROSA (Peak-picking Of Noe Data Enabled by Restriction of Shift Assignments) accepts input information consisting of a protein sequence, backbone and sidechain NMR resonance assignments, and 3D-NOESY (13C-edited and/or 15N-edited) spectra, and returns assignments of NOESY crosspeaks, distance and angle constraints, and a reliable NMR structure represented by a family of conformers. PONDEROSA incorporates and integrates external software packages (TALOS+, STRIDE and CYANA) to carry out different steps in the structure determination. PONDEROSA implements internal functions that identify and validate NOESY peak assignments and assess the quality of the calculated three-dimensional structure of the protein. The robustness of the analysis results from PONDEROSA's hierarchical processing steps that involve iterative interaction among the internal and external modules. PONDEROSA supports a variety of input formats: SPARKY assignment table (.shifts) and spectrum file formats (.ucsf), XEASY proton file format (.prot), and NMR-STAR format (.star). To demonstrate the utility of PONDEROSA, we used the package to determine 3D structures of two proteins: human ubiquitin and Escherichia coli iron-sulfur scaffold protein variant IscU(D39A). The automatically generated structural constraints and ensembles of conformers were as good as or better than those determined previously by much less automated means. Availability: The program, in the form of binary code along with tutorials and reference manuals, is available at http://ponderosa.nmrfam.wisc.edu/. Contact: whlee@nmrfam.wisc.edu; markley@nmrfam.wisc.edu Supplementary information: Supplementary data are available at Bioinformatics online. PMID:21511715

A first-principles core-level XPS study on the boron impurities in germanium crystal

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

Yamauchi, Jun; Yoshimoto, Yoshihide; Suwa, Yuji

2013-12-04

We systematically investigated the x-ray photoelectron spectroscopy (XPS) core-level shifts and formation energies of boron defects in germanium crystals and compared the results to those in silicon crystals. Both for XPS core-level shifts and formation energies, relationship between defects in Si and Ge is roughly linear. From the similarity in the formation energy, it is expected that the exotic clusters like icosahedral B12 exist in Ge as well as in Si.

XPS studies of nitrogen doping niobium used for accelerator applications

NASA Astrophysics Data System (ADS)

Yang, Ziqin; Lu, Xiangyang; Tan, Weiwei; Zhao, Jifei; Yang, Deyu; Yang, Yujia; He, Yuan; Zhou, Kui

2018-05-01

Nitrogen doping study on niobium (Nb) samples used for the fabrication of superconducting radio frequency (SRF) cavities was carried out. The samples' surface treatment was attempted to replicate that of the Nb SRF cavities, which includes heavy electropolishing (EP), nitrogen doping and the subsequent EP with different amounts of material removal. The surface chemical composition of Nb samples with different post treatments has been studied by XPS. The chemical composition of Nb, O, C and N was presented before and after Gas Cluster Ion Beam (GCIB) etching. No signals of poorly superconducting nitrides NbNx was found on the surface of any doped Nb sample with the 2/6 recipe before GCIB etching. However, in the depth range greater than 30 nm, the content of N element is below the XPS detection precision scope even for the Nb sample directly after nitrogen doping treatment with the 2/6 recipe.

The (001) 3C SiC surface termination and band structure after common wet chemical etching procedures, stated by XPS, LEED, and HREELS

NASA Astrophysics Data System (ADS)

Tengeler, Sven; Kaiser, Bernhard; Ferro, Gabriel; Chaussende, Didier; Jaegermann, Wolfram

2018-01-01

The (001) surface of cubic silicon carbide (3C SiC) after cleaning, Ar sputtering and three different wet chemical etching procedures was thoroughly investigated via (angle resolved) XPS, HREELS, and LEED. While Ar sputtering was found to be unsuitable for surface preparation, all three employed wet chemical etching procedures (piranha/NH4F, piranha/HF, and RCA) provide a clean surface. HF as oxide removal agent tends to result in fluorine traces on the sample surface, despite thorough rinsing. All procedures yield a 1 × 1 Si-OH/C-H terminated surface. However, the XPS spectra reveal some differences in the resulting surface states. NH4F for oxide removal produces a flat band situation, whereas the other two procedures result in a slight downward (HF) or upward (RCA) band bending. Because the band bending is small, it can be concluded that the number of unsaturated surface defects is low.

XPS/NEXAFS spectroscopic and conductance studies of glycine on AlGaN/GaN transistor devices

NASA Astrophysics Data System (ADS)

Myers, Matthew; Khir, Farah Liyana Muhammad; Home, Michael A.; Mennell, Christopher; Gillbanks, Jeremy; Tadich, Anton; Baker, Murray V.; Nener, Brett D.; Parish, Giacinta

2018-03-01

We report on a study using a combination of XPS/NEXAFS and conductivity measurements to develop a fundamental understanding of how dipolar molecules interact with the heterostructure device surface and affect the device conductivity of AlGaN/GaN heterostructure-based transistors. In such structures, which are increasingly being investigated for chemical and biological sensing, a 2-dimensional electron gas spontaneously forms at the layer interface that is sensitive to the charge characteristics of the exposed surface. Glycine, chosen for this study because it is the simplest of the amino acids and is known to form a zwitterionic configuration when stabilized through intermolecular interactions, was evaporated under ultra-high vacuum conditions onto the device surface and subsequently both XPS/NEXAFS and conductivity measurements were conducted. NEXAFS spectra show a preferential orientation for the Glycine molecules on the surface and evidence for both neutral and zwitterionic species on the surface. In situ conductivity measurements suggest that the negatively charged carboxylate group is closest to the surface. These results are a unique and pivotal contribution to the previous and at times conflicting literature on the zwitterionic nature of Glycine.

Techniques for estimating peak-streamflow frequency for unregulated streams and streams regulated by small floodwater retarding structures in Oklahoma

USGS Publications Warehouse

Tortorelli, Robert L.

1997-01-01

Statewide regression equations for Oklahoma were determined for estimating peak discharge and flood frequency for selected recurrence intervals from 2 to 500 years for ungaged sites on natural unregulated streams. The most significant independent variables required to estimate peak-streamflow frequency for natural unregulated streams in Oklahoma are contributing drainage area, main-channel slope, and mean-annual precipitation. The regression equations are applicable for watersheds with drainage areas less than 2,510 square miles that are not affected by regulation from manmade works. Limitations on the use of the regression relations and the reliability of regression estimates for natural unregulated streams are discussed. Log-Pearson Type III analysis information, basin and climatic characteristics, and the peak-stream-flow frequency estimates for 251 gaging stations in Oklahoma and adjacent states are listed. Techniques are presented to make a peak-streamflow frequency estimate for gaged sites on natural unregulated streams and to use this result to estimate a nearby ungaged site on the same stream. For ungaged sites on urban streams, an adjustment of the statewide regression equations for natural unregulated streams can be used to estimate peak-streamflow frequency. For ungaged sites on streams regulated by small floodwater retarding structures, an adjustment of the statewide regression equations for natural unregulated streams can be used to estimate peak-streamflow frequency. The statewide regression equations are adjusted by substituting the drainage area below the floodwater retarding structures, or drainage area that represents the percentage of the unregulated basin, in the contributing drainage area parameter to obtain peak-streamflow frequency estimates.

Dielectric relaxation and electronic structure of double perovskite Sr{sub 2}FeSbO{sub 6}

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

Dutta, Alo; Sinha, T. P.; Shannigrahi, Santiranjan

2008-09-15

The dielectric property and the electronic structure of a double perovskite, Sr{sub 2}FeSbO{sub 6} (SFS) synthesized by solid state reaction technique are investigated. The x-ray diffraction of the sample taken at room temperature shows cubic phase. The scanning electron micrograph of the sample also confirms the formation of the single phase of the material. We have measured the capacitance and conductance of SFS in a frequency range from 50 Hz to 1 MHz and in a temperature range from 163 to 463 K. A relaxation is observed in the entire temperature range as a gradual decrease in {epsilon}{sup '}({omega}) andmore » as a broad peak in {epsilon}{sup ''}({omega}). The frequency dependent electrical data are analyzed in the framework of conductivity and electric modulus formalisms. The frequencies corresponding to the maxima of the imaginary electric modulus at various temperatures are found to obey an Arrhenius law with an activation energy of 0.74 eV. The Cole-Cole model is used to study the dielectric relaxation of SFS. The scaling behavior of imaginary part of electric modulus suggests that the relaxation describes the same mechanism at various temperatures. The frequency dependent conductivity spectra follow the universal power law. The electronic structure of the SFS is studied by x-ray photoemission spectroscopy (XPS). Its valence band consists mainly of the oxygen 2p-states hybridized with the Fe 3d-states. The XPS spectra are investigated by the first principles full potential linearized augmented plane wave method. The angular momentum projected total and partial density of states obtained from first principles calculation are used to analyze the XPS results of the sample. The calculated electronic structures of SFS are qualitatively similar to those of the XPS spectra in terms of spectral features, energy positions, and relative intensities. The electronic structure calculation reveals that the electrical properties of SFS are dominated by the interaction

X-ray Photoelectron Spectroscopy (XPS), Rutherford Back Scattering (RBS) studies

NASA Technical Reports Server (NTRS)

Neely, W. C.; Bozak, M. J.; Williams, J. R.

1993-01-01

X-ray photoelectron spectroscopy (XPS), Rutherford Back Scattering (RBS) studies of each of sample received were completed. Since low angle X-ray could not be performed because of instrumentation problems, Auger spectrometry was employed instead. The results of these measurements for each of the samples is discussed in turn.

Evaluation Metrics for the Paragon XP/S-15

NASA Technical Reports Server (NTRS)

Traversat, Bernard; McNab, David; Nitzberg, Bill; Fineberg, Sam; Blaylock, Bruce T. (Technical Monitor)

1993-01-01

On February 17th 1993, the Numerical Aerodynamic Simulation (NAS) facility located at the NASA Ames Research Center installed a 224 node Intel Paragon XP/S-15 system. After its installation, the Paragon was found to be in a very immature state and was unable to support a NAS users' workload, composed of a wide range of development and production activities. As a first step towards addressing this problem, we implemented a set of metrics to objectively monitor the system as operating system and hardware upgrades were installed. The metrics were designed to measure four aspects of the system that we consider essential to support our workload: availability, utilization, functionality, and performance. This report presents the metrics collected from February 1993 to August 1993. Since its installation, the Paragon availability has improved from a low of 15% uptime to a high of 80%, while its utilization has remained low. Functionality and performance have improved from merely running one of the NAS Parallel Benchmarks to running all of them faster (between 1 and 2 times) than on the iPSC/860. In spite of the progress accomplished, fundamental limitations of the Paragon operating system are restricting the Paragon from supporting the NAS workload. The maximum operating system message passing (NORMA IPC) bandwidth was measured at 11 Mbytes/s, well below the peak hardware bandwidth (175 Mbytes/s), limiting overall virtual memory and Unix services (i.e. Disk and HiPPI I/O) performance. The high NX application message passing latency (184 microns), three times than on the iPSC/860, was found to significantly degrade performance of applications relying on small message sizes. The amount of memory available for an application was found to be approximately 10 Mbytes per node, indicating that the OS is taking more space than anticipated (6 Mbytes per node).

New Pt/Alumina model catalysts for STM and in situ XPS studies

NASA Astrophysics Data System (ADS)

Nartova, Anna V.; Gharachorlou, Amir; Bukhtiyarov, Andrey V.; Kvon, Ren I.; Bukhtiyarov, Valerii I.

2017-04-01

The new Pt/alumina model catalysts for STM and in situ XPS studies based on thin alumina film formed over the conductive substrate are proposed. Procedure of platinum deposition developed for porous alumina was adapted for the model alumina support. The set of Pt/AlOx-film samples with the different mean platinum particle size was prepared. Capabilities of in situ XPS investigations of the proposed catalysts were demonstrated in study of NO decomposition on platinum nanoparticles. It is shown that proposed model catalysts behave similarly to Pt/γ-Al2O3 and provide the new opportunities for the instrumental studies of platinum catalysts due to resolving several issues (charging, heating, screening) that are typical for the investigation of the porous oxide supported catalysts.

Identification of B-K near edge x-ray absorption fine structure peaks of boron nitride thin films prepared by sputtering deposition

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

Niibe, Masahito; Miyamoto, Kazuyoshi; Mitamura, Tohru

2010-09-15

Four {pi}{sup *} resonance peaks were observed in the B-K near edge x-ray absorption fine structure spectra of boron nitride thin films prepared by magnetron sputtering. In the past, these peaks have been explained as the K-absorption of boron atoms, which are present in environment containing nitrogen vacancies, the number of which is 1-3 corresponding to the three peaks at higher photon energy. However, the authors found that there was a strong correlation between the intensities of these three peaks and that of O-K absorption after wide range scanning and simultaneous measurement of nitrogen and oxygen K-absorptions of the BNmore » films. Therefore, the authors conclude that these three peaks at the higher energy side correspond to boron atoms bound to one-to-three oxygen atoms instead of three nitrogen atoms surrounding the boron atom in the h-BN structure. The result of the first-principles calculation with a simple cluster model supported the validity of this explanation.« less

Cohort study comparing prostate photovaporisation with XPS 180W and HPS 120W laser.

PubMed

López, B; Capitán, C; Hernández, V; de la Peña, E; Jiménez-Valladolid, I; Guijarro, A; Pérez-Fernández, E; Llorente, C

2016-01-01

Prostate photovaporisation with Greenlight laser for the surgical treatment of benign prostate hyperplasia has rapidly evolve to the new XPS 180W. We have previously demonstrated the safety and efficacy of the HPS 120W. The aim of this study was to assess the functional and safety results, with a year of follow-up, of photovaporisation using the XPS 180W laser compared with its predecessor. A cohort study was conducted with a series of 191 consecutive patients who underwent photovaporisation between 1/2008 and 5/2013. The inclusion criteria were an international prostate symptom score (IPSS) >15 after medical failure, a prostate volume <80 cm(3) and a maximum flow <15 mL/s. We assessed preoperative and intraoperative variables (energy used, laser time and total surgical time), complications, catheter hours, length of stay and functional results (maximum flow, IPSS, prostate-specific antigen and prostate volume) at 3, 6 and 12 months. We analysed the homogeneity in preoperative characteristics of the 2 groups through univariate analysis techniques. The postoperative functional results were assessed through an analysis of variance of repeated measures with mixed models. A total of 109 (57.1%) procedures were performed using HPS 120W, and 82 (42.9%) were performed using XPS. There were no differences between the preoperative characteristics. We observed significant differences both in the surgical time and effective laser time in favour of the XPS system. This advantage was 11% (48 ± 15.7 vs. 53.8 ± 16.2, p<.05) and 9% (32.8 ± 11.7 vs. 36 ± 11.6, p<.05), respectively. There were no statistically significant differences in the rest of the analysed parameters. The technical improvements in the XPS 180W system help reduce surgical time, maintaining the safety and efficacy profile offered by the HPS 120W system, with completely superimposable results at 1 year of follow-up. Copyright © 2015 AEU. Publicado por Elsevier España, S.L.U. All rights reserved.

Temperature dependence of photoluminescence peaks of porous silicon structures

NASA Astrophysics Data System (ADS)

Brunner, Róbert; Pinčík, Emil; Kučera, Michal; Greguš, Ján; Vojtek, Pavel; Zábudlá, Zuzana

2017-12-01

Evaluation of photoluminescence spectra of porous silicon (PS) samples prepared by electrochemical etching is presented. The samples were measured at temperatures 30, 70 and 150 K. Peak parameters (energy, intensity and width) were calculated. The PL spectrum was approximated by a set of Gaussian peaks. Their parameters were fixed using fitting a procedure in which the optimal number of peeks included into the model was estimated using the residuum of the approximation. The weak thermal dependence of the spectra indicates the strong influence of active defects.

In-situ XPS analysis of oxidized and reduced plasma deposited ruthenium-based thin catalytic films

NASA Astrophysics Data System (ADS)

Balcerzak, Jacek; Redzynia, Wiktor; Tyczkowski, Jacek

2017-12-01

A novel in-situ study of the surface molecular structure of catalytically active ruthenium-based films subjected to the oxidation (in oxygen) and reduction (in hydrogen) was performed in a Cat-Cell reactor combined with a XPS spectrometer. The films were produced by the plasma deposition method (PEMOCVD). It was found that the films contained ruthenium at different oxidation states: metallic (Ru0), RuO2 (Ru+4), and other RuOx (Ru+x), of which content could be changed by the oxidation or reduction, depending on the process temperature. These results allow to predict the behavior of the Ru-based catalysts in different redox environments.

Americium(III) capture using phosphonic acid-functionalized silicas with different mesoporous morphologies: adsorption behavior study and mechanism investigation by EXAFS/XPS.

PubMed

Zhang, Wen; He, Xihong; Ye, Gang; Yi, Rong; Chen, Jing

2014-06-17

Efficient capture of highly toxic radionuclides with long half-lives such as Americium-241 is crucial to prevent radionuclides from diffusing into the biosphere. To reach this purpose, three different types of mesoporous silicas functionalized with phosphonic acid ligands (SBA-POH, MCM-POH, and BPMO-POH) were synthesized via a facile procedure. The structure, surface chemistry, and micromorphology of the materials were fully characterized by (31)P/(13)C/(29)Si MAS NMR, XPS, and XRD analysis. Efficient adsorption of Am(III) was realized with a fast rate to reach equilibrium (within 10 min). Influences including structural parameters and functionalization degree on the adsorption behavior were investigated. Slope analysis of the equilibrium data suggested that the coordination with Am(III) involved the exchange of three protons. Moreover, extended X-ray absorption fine structure (EXAFS) analysis, in combination with XPS survey, was employed for an in-depth probe into the binding mechanism by using Eu(III) as a simulant due to its similar coordination behavior and benign property. The results showed three phosphonic acid ligands were coordinated to Eu(III) in bidentate fashion, and Eu(P(O)O)3(H2O) species were formed with the Eu-O coordination number of 7. These phosphonic acid-functionalized mesoporous silicas should be promising for the treatment of Am-containing radioactive liquid waste.

Colloidal diatomite, radionickel, and humic substance interaction: a combined batch, XPS, and EXAFS investigation.

PubMed

Sheng, Guodong; Shen, Runpu; Dong, Huaping; Li, Yimin

2013-06-01

This work determined the influence of humic acid (HA) and fulvic acid (FA) on the interaction mechanism and microstructure of Ni(II) onto diatomite by using batch experiments, X-ray photoelectron spectroscopy (XPS), and extended X-ray absorption fine structure (EXAFS) methods. Macroscopic and spectroscopic experiments have been combined to see the evolution of the interaction mechanism and microstructure of Ni(II) in the presence of HA/FA as compared with that in the absence of HA/FA. The results indicated that the interaction of Ni(II) with diatomite presents the expected solution pH edge at 7.0, which is modified by addition of HA/FA. In the presence of HA/FA, the interaction of Ni(II) with diatomite increased below solution pH 7.0, while Ni(II) interaction decreased above solution pH 7.0. XPS analysis suggested that the enrichment of Ni(II) onto diatomite may be due to the formation of (≡SO)2Ni. EXAFS results showed that binary surface complexes and ternary surface complexes of Ni(II) can be simultaneously formed in the presence of HA/FA, whereas only binary surface complexes of Ni(II) are formed in the absence of HA/FA, which contribute to the enhanced Ni(II) uptake at low pH values. The results observed in this work are important for the evaluation of Ni(II) and related radionuclide physicochemical behavior in the natural soil and water environment.

Peak-ring structure and kinematics from a multi-disciplinary study of the Schrödinger impact basin

PubMed Central

Kring, David A.; Kramer, Georgiana Y.; Collins, Gareth S.; Potter, Ross W. K.; Chandnani, Mitali

2016-01-01

The Schrödinger basin on the lunar farside is ∼320 km in diameter and the best-preserved peak-ring basin of its size in the Earth–Moon system. Here we present spectral and photogeologic analyses of data from the Moon Mineralogy Mapper instrument on the Chandrayaan-1 spacecraft and the Lunar Reconnaissance Orbiter Camera (LROC) on the LRO spacecraft, which indicates the peak ring is composed of anorthositic, noritic and troctolitic lithologies that were juxtaposed by several cross-cutting faults during peak-ring formation. Hydrocode simulations indicate the lithologies were uplifted from depths up to 30 km, representing the crust of the lunar farside. Through combining geological and remote-sensing observations with numerical modelling, we show that a Displaced Structural Uplift model is best for peak rings, including that in the K–T Chicxulub impact crater on Earth. These results may help guide sample selection in lunar sample return missions that are being studied for the multi-agency International Space Exploration Coordination Group. PMID:27762265

PICKY: a novel SVD-based NMR spectra peak picking method

PubMed Central

Alipanahi, Babak; Gao, Xin; Karakoc, Emre; Donaldson, Logan; Li, Ming

2009-01-01

Motivation: Picking peaks from experimental NMR spectra is a key unsolved problem for automated NMR protein structure determination. Such a process is a prerequisite for resonance assignment, nuclear overhauser enhancement (NOE) distance restraint assignment, and structure calculation tasks. Manual or semi-automatic peak picking, which is currently the prominent way used in NMR labs, is tedious, time consuming and costly. Results: We introduce new ideas, including noise-level estimation, component forming and sub-division, singular value decomposition (SVD)-based peak picking and peak pruning and refinement. PICKY is developed as an automated peak picking method. Different from the previous research on peak picking, we provide a systematic study of the proposed method. PICKY is tested on 32 real 2D and 3D spectra of eight target proteins, and achieves an average of 88% recall and 74% precision. PICKY is efficient. It takes PICKY on average 15.7 s to process an NMR spectrum. More important than these numbers, PICKY actually works in practice. We feed peak lists generated by PICKY to IPASS for resonance assignment, feed IPASS assignment to SPARTA for fragments generation, and feed SPARTA fragments to FALCON for structure calculation. This results in high-resolution structures of several proteins, for example, TM1112, at 1.25 Å. Availability: PICKY is available upon request. The peak lists of PICKY can be easily loaded by SPARKY to enable a better interactive strategy for rapid peak picking. Contact: mli@uwaterloo.ca PMID:19477998

PICKY: a novel SVD-based NMR spectra peak picking method.

PubMed

Alipanahi, Babak; Gao, Xin; Karakoc, Emre; Donaldson, Logan; Li, Ming

2009-06-15

Picking peaks from experimental NMR spectra is a key unsolved problem for automated NMR protein structure determination. Such a process is a prerequisite for resonance assignment, nuclear overhauser enhancement (NOE) distance restraint assignment, and structure calculation tasks. Manual or semi-automatic peak picking, which is currently the prominent way used in NMR labs, is tedious, time consuming and costly. We introduce new ideas, including noise-level estimation, component forming and sub-division, singular value decomposition (SVD)-based peak picking and peak pruning and refinement. PICKY is developed as an automated peak picking method. Different from the previous research on peak picking, we provide a systematic study of the proposed method. PICKY is tested on 32 real 2D and 3D spectra of eight target proteins, and achieves an average of 88% recall and 74% precision. PICKY is efficient. It takes PICKY on average 15.7 s to process an NMR spectrum. More important than these numbers, PICKY actually works in practice. We feed peak lists generated by PICKY to IPASS for resonance assignment, feed IPASS assignment to SPARTA for fragments generation, and feed SPARTA fragments to FALCON for structure calculation. This results in high-resolution structures of several proteins, for example, TM1112, at 1.25 A. PICKY is available upon request. The peak lists of PICKY can be easily loaded by SPARKY to enable a better interactive strategy for rapid peak picking.

Memory Effect Manifested by a Boson Peak in Metallic Glass.

PubMed

Luo, P; Li, Y Z; Bai, H Y; Wen, P; Wang, W H

2016-04-29

We explore the correlation between a boson peak and structural relaxation in a typical metallic glass. Consistent with enthalpy recovery, a boson peak shows a memory effect in an aging-and-scan procedure. Single-step isothermal aging produces a monotonic decrease of enthalpy and boson peak intensity; for double-step isothermal aging, both enthalpy and boson peak intensity experience, coincidently, an incipient increase to a maximum and a subsequent decrease toward the equilibrium state. Our results indicate a direct link between slow structural relaxation and fast boson peak dynamics, which presents a profound understanding of the two dynamic behaviors in glass.

Characterization of Au/PbTi0.5Fe0.5O3/Si structure for possible multiferroic based non-volatile memory applications

NASA Astrophysics Data System (ADS)

Nawaz, S.; Roy, S.; Tulapurkar, A. A.; Palkar, V. R.

2017-03-01

Magnetoelectric multiferroic PbTi0.5Fe0.5O3 films are deposited on a ⟨100⟩ conducting p-Si substrate without any buffer layer by using pulsed laser deposition and characterized for possible non-volatile memory applications. Their crystalline structure and surface morphology were characterized by using x-ray diffraction and AFM techniques. HRTEM was employed to determine the film-substrate interface. The electronic structure of the film was investigated by XPS, and no signature of metal was found for all the elements. The chemical shift of the Ti 2p XPS peak is attributed to the replacement of Ti with Fe in the PbTiO3 matrix. Piezoelectric force microscopy (PFM) results indicate the 180° phase shift of ferroelectric polarization. The upward self-polarization phenomenon is also observed in the PFM study. Magnetic and magneto-electric coupling measurements were carried out to confirm the magnetic nature and electro-magnetic coupling characteristics. C-V measurements exhibit clock-wise hysteresis loops with a maximum memory window of 1.2 V and a sweep voltage of ±7 V. This study could influence the fabrication of silicon compatible multiple memory device structures.

Structural and electrochemical analysis of chemically synthesized microcubic architectured lead selenide thin films

NASA Astrophysics Data System (ADS)

Bhat, T. S.; Shinde, A. V.; Devan, R. S.; Teli, A. M.; Ma, Y. R.; Kim, J. H.; Patil, P. S.

2018-01-01

The present work deals with the synthesis of lead selenide (PbSe) thin films by simple and cost-effective chemical bath deposition method with variation in deposition time. The structural, morphological, and electrochemical properties of as-deposited thin films were examined using characterization techniques such as X-ray diffraction spectroscopy (XRD), field-emission scanning electron microscopy (FE-SEM), X-ray photoelectron spectroscopy (XPS), cyclic voltammetry (CV), galvanostatic charge-discharge and electrochemical impedance spectroscopy. XRD reveals formation of rock salt phase cubic structured PbSe. FE-SEM images show the formation of microcubic structured morphology. The existence of the PbSe is confirmed from the XPS analysis. On the other hand, CV curves show four reaction peaks corresponding to oxidation [PbSe and Pb(OH)2] and reduction (PbO2 and Pb(OH)2) at the surface of PbSe thin films. The PbSe:2 sample deposited for 80 min. shows maximum specific capacitance of 454 ± 5 F g- 1 obtained at 0.25 mA cm- 2 current density. The maximum energy density of 69 Wh kg- 1 was showed by PbSe:2 electrode with a power density of 1077 W kg- 1. Furthermore, electrochemical impedance studies of PbSe:2 thin film show 80 ± 3% cycling stability even after 500 CV cycles. Such results show the importance of microcubic structured PbSe thin film as an anode in supercapacitor devices.

Study of fission-product segregation in used CANDU fuel by X-ray photoelectron spectroscopy (XPS) II

NASA Astrophysics Data System (ADS)

Hocking, William H.; Duclos, A. Michael; Johnson, Lawrence H.

1994-03-01

A thorough investigation of the grain-boundary chemistry of used CANDU fuel from one intact element has been conducted by X-ray photoelectron spectroscopy (XPS). Selected findings from more extensive XPS measurements on other used CANDU fuels exposed to storage conditions are included for comparison. Cesium, rubidium, tellurium and barium have been commonly observed, often reaching high degrees of surface enrichment, although their relative abundances can vary widely with a complex dependence on the fuel irradiation history. Lower concentrations of cadmium, molybdenum, strontium and iodine have also been occasionally detected. Except for iodine, chemical-shift data are indicative of oxidized species, possibly uranates. Segregation at monolayer-level coverages has been demonstrated by sequential XPS analysis and argon-ion sputtering. Calculations based on an idealized thin-film model are consistent with the depth profiles. The interpretation of these results is discussed in the context of previous studies, especially on LWR fuels.

Peak Communication Experiences: Concept, Structure, and Sex Differences.

ERIC Educational Resources Information Center

Gordon, Ron; Dulaney, Earl

A study was conducted to test a "peak communication experience" (PCE) scale developed from Abraham Maslow's theory of PCE's, a model of one's highest interpersonal communication moments in terms of perceived mutual understanding, happiness, and personal fulfillment. Nineteen items, extrapolated from Maslow's model but rendered more…

Structure-property and composition-property relationships for poly(ethylene terephthalate) surfaces modified by helium plasma-based ion implantation

NASA Astrophysics Data System (ADS)

Tóth, A.; Veres, M.; Kereszturi, K.; Mohai, M.; Bertóti, I.; Szépvölgyi, J.

2011-10-01

The surfaces of untreated and helium plasma-based ion implantation (He PBII) treated poly(ethylene terephthalate) (PET) samples were characterised by reflectance colorimetry, contact angle studies and measurements of surface electrical resistance. The results were related to the structural and compositional data obtained by the authors earlier on parallel samples by XPS and Raman spectroscopy. Inverse correlations between lightness and ID/ IG ratio and between chroma and ID/ IG ratio were obtained, suggesting that the PBII-treated PET samples darken and their colourfulness decreases with the increase of the portion of aromatic sp 2 carbon rings in the chemical structure of the modified layer. Direct correlation between water contact angle and the ID/ IG ratio and inverse correlations between surface energy and ID/ IG ratio and between dispersive component of surface energy and ID/ IG ratio were found, reflecting that surface wettability, surface energy and its dispersive component decrease with the formation of surface structure, characterised again by enhanced portion of aromatic sp 2 carbon rings. The surface electrical resistance decreased with the increase of the surface C-content determined by XPS and also with the increase of the surface concentration of conjugated double bonds, reflected by the increase of the π → π* shake-up satellite of the C 1s peak.

Ultrathin TiO(x) films on Pt(111): a LEED, XPS, and STM investigation.

PubMed

Sedona, Francesco; Rizzi, Gian Andrea; Agnoli, Stefano; Llabrés i Xamena, Francesc X; Papageorgiou, Anthoula; Ostermann, Dieter; Sambi, Mauro; Finetti, Paola; Schierbaum, Klaus; Granozzi, Gaetano

2005-12-29

Ultrathin ordered titanium oxide films on Pt(111) surface are prepared by reactive evaporation of Ti in oxygen. By varying the Ti dose and the annealing conditions (i.e., temperature and oxygen pressure), six different long-range ordered phases are obtained. They are characterized by means of low-energy electron diffraction (LEED), X-ray photoemission spectroscopy (XPS), and scanning tunneling microscopy (STM). By careful optimization of the preparative parameters, we find conditions where predominantly single phases of TiO(x), revealing distinct LEED pattern and STM images, are produced. XPS binding energy and photoelectron diffraction (XPD) data indicate that all the phases, except one (the stoichiometric rect-TiO2), are one monolayer thick and composed of a Ti-O bilayer with interfacial Ti. Atomically resolved STM images confirm that these TiO(x) phases wet the Pt surface, in contrast to rect-TiO2. This indicates their interface stabilization. At a low Ti dose (0.4 monolayer equivalents, MLE), an incommensurate kagomé-like low-density phase (k-TiO(x) phase) is observed where hexagons are sharing their vertexes. At a higher Ti dose (0.8 MLE), two denser phases are found, both characterized by a zigzag motif (z- and z'-TiO(x) phases), but with distinct rectangular unit cells. Among them, z'-TiO(x), which is obtained by annealing in ultrahigh vacuum (UHV), shows a larger unit cell. When the postannealing of the 0.8 MLE deposit is carried out at high temperatures and high oxygen partial pressures, the incommensurate nonwetting, fully oxidized rect-TiO2 is found The symmetry and lattice dimensions are almost identical with rect-VO2, observed in the system VO(x)/Pd(111). At a higher coverage (1.2 MLE), two commensurate hexagonal phases are formed, namely the w- [(square root(43) x square root(43)) R 7.6 degrees] and w'-TiO(x) phase [(7 x 7) R 21.8 degrees]. They show wagon-wheel-like structures and have slightly different lattice dimensions. Larger Ti deposits

Origin of weak lensing convergence peaks

NASA Astrophysics Data System (ADS)

Liu, Jia; Haiman, Zoltán

2016-08-01

Weak lensing convergence peaks are a promising tool to probe nonlinear structure evolution at late times, providing additional cosmological information beyond second-order statistics. Previous theoretical and observational studies have shown that the cosmological constraints on Ωm and σ8 are improved by a factor of up to ≈2 when peak counts and second-order statistics are combined, compared to using the latter alone. We study the origin of lensing peaks using observational data from the 154 deg2 Canada-France-Hawaii Telescope Lensing Survey. We found that while high peaks (with height κ >3.5 σκ , where σκ is the rms of the convergence κ ) are typically due to one single massive halo of ≈1 015M⊙ , low peaks (κ ≲σκ ) are associated with constellations of 2-8 smaller halos (≲1 013M⊙ ). In addition, halos responsible for forming low peaks are found to be significantly offset from the line of sight towards the peak center (impact parameter ≳ their virial radii), compared with ≈0.25 virial radii for halos linked with high peaks, hinting that low peaks are more immune to baryonic processes whose impact is confined to the inner regions of the dark matter halos. Our findings are in good agreement with results from the simulation work by Yang et al. [Phys. Rev. D 84, 043529 (2011)].

Silver Peak Innovative Exploration Project (Ram Power Inc.)

DOE Data Explorer

Miller, Clay

2010-01-01

Data generated from the Silver Peak Innovative Exploration Project, in Esmeralda County, Nevada, encompasses a “deep-circulation (amagmatic)” meteoric-geothermal system circulating beneath basin-fill sediments locally blanketed with travertine in western Clayton Valley (lithium-rich brines from which have been mined for several decades). Spring- and shallow-borehole thermal-water geochemistry and geothermometry suggest that a Silver Peak geothermal reservoir is very likely to attain the temperature range 260- 300oF (~125-150oC), and may reach 300-340oF (~150-170oC) or higher (GeothermEx, Inc., 2006). Results of detailed geologic mapping, structural analysis, and conceptual modeling of the prospect (1) support the GeothermEx (op. cit.) assertion that the Silver Peak prospect has good potential for geothermal-power production; and (2) provide a theoretical geologic framework for further exploration and development of the resource. The Silver Peak prospect is situated in the transtensional (regional shearing coupled with extension) Walker Lane structural belt, and squarely within the late Miocene to Pliocene (11 Ma to ~5 Ma) Silver Peak-Lone Mountain metamorphic core complex (SPCC), a feature that accommodated initial displacement transfer between major right-lateral strike- slip fault zones on opposite sides of the Walker Lane. The SPCC consists essentially of a ductiley-deformed lower plate, or “core,” of Proterozoic metamorphic tectonites and tectonized Mesozoic granitoids separated by a regionally extensive, low-angle detachment fault from an upper plate of severely stretched and fractured structural slices of brittle, Proterozoic to Miocene-age lithologies. From a geothermal perspective, the detachment fault itself and some of the upper-plate structural sheets could function as important, if secondary, subhorizontal thermal-fluid aquifers in a Silver Peak hydrothermal system.

PeakWorks

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

2016-11-30

The PeakWorks software is designed to assist in the quantitative analysis of atom probe tomography (APT) generated mass spectra. Specifically, through an interactive user interface, mass peaks can be identified automatically (defined by a threshold) and/or identified manually. The software then provides a means to assign specific elemental isotopes (including more than one) to each peak. The software also provides a means for the user to choose background subtraction of each peak based on background fitting functions, the choice of which is left to the users discretion. Peak ranging (the mass range over which peaks are integrated) is also automatedmore » allowing the user to chose a quantitative range (e.g. full-widthhalf- maximum). The software then integrates all identified peaks, providing a background-subtracted composition, which also includes the deconvolution of peaks (i.e. those peaks that happen to have overlapping isotopic masses). The software is also able to output a 'range file' that can be used in other software packages, such as within IVAS. A range file lists the peak identities, the mass range of each identified peak, and a color code for the peak. The software is also able to generate 'dummy' peak ranges within an outputted range file that can be used within IVAS to provide a means for background subtracted proximity histogram analysis.« less

Influence factors and forecast of carbon emission in China: structure adjustment for emission peak

NASA Astrophysics Data System (ADS)

Wang, B.; Cui, C. Q.; Li, Z. P.

2018-02-01

This paper introduced Principal Component Analysis and Multivariate Linear Regression Model to verify long-term balance relationships between Carbon Emissions and the impact factors. The integrated model of improved PCA and multivariate regression analysis model is attainable to figure out the pattern of carbon emission sources. Main empirical results indicate that among all selected variables, the role of energy consumption scale was largest. GDP and Population follow and also have significant impacts on carbon emission. Industrialization rate and fossil fuel proportion, which is the indicator of reflecting the economic structure and energy structure, have a higher importance than the factor of urbanization rate and the dweller consumption level of urban areas. In this way, some suggestions are put forward for government to achieve the peak of carbon emissions.

Automated asteroseismic peak detections

NASA Astrophysics Data System (ADS)

García Saravia Ortiz de Montellano, Andrés; Hekker, S.; Themeßl, N.

2018-05-01

Space observatories such as Kepler have provided data that can potentially revolutionize our understanding of stars. Through detailed asteroseismic analyses we are capable of determining fundamental stellar parameters and reveal the stellar internal structure with unprecedented accuracy. However, such detailed analyses, known as peak bagging, have so far been obtained for only a small percentage of the observed stars while most of the scientific potential of the available data remains unexplored. One of the major challenges in peak bagging is identifying how many solar-like oscillation modes are visible in a power density spectrum. Identification of oscillation modes is usually done by visual inspection that is time-consuming and has a degree of subjectivity. Here, we present a peak-detection algorithm especially suited for the detection of solar-like oscillations. It reliably characterizes the solar-like oscillations in a power density spectrum and estimates their parameters without human intervention. Furthermore, we provide a metric to characterize the false positive and false negative rates to provide further information about the reliability of a detected oscillation mode or the significance of a lack of detected oscillation modes. The algorithm presented here opens the possibility for detailed and automated peak bagging of the thousands of solar-like oscillators observed by Kepler.

XPS Study of Oxide/GaAs and SiO2/Si Interfaces

NASA Technical Reports Server (NTRS)

Grunthaner, F. J.; Grunthaner, P. J.; Vasquez, R. P.; Lewis, B. F.; Maserjian, J.; Madhukar, A.

1982-01-01

Concepts developed in study of SiO2/Si interface applied to analysis of native oxide/GaAs interface. High-resolution X-ray photoelectron spectroscopy (XPS) has been combined with precise chemical-profiling technique and resolution-enhancement methods to study stoichiometry of transitional layer. Results are presented in report now available.

Ultra-fine structures of Pd-Ag-HAp nanoparticle deposition on protruded TiO2 barrier layer for dental implant

NASA Astrophysics Data System (ADS)

Jang, Jae-Myung; Kim, Seung-Dai; Park, Tae-Eon; Choe, Han-Cheol

2018-02-01

The biocompatibility structure of an implant surface is of great importance to the formation of new bone tissue around the dental implant and also has a significant chemical reaction in the osseointegration process. Thus, ultra-fine Pd-Ag-HAp nanoparticles have been electrodeposited on protruded TiO2 barrier layer in mixed electrolyte solutions. Unusual protrusions patterns, which are assigned to Pd-Ag-HAp nanoparticles, can be clearly differentiated from a TiO2 nanotube oxide layer formed by an anodizing process. In the chemical bonding state, the surface characteristics of Pd/Ag/HAp compounds have been investigated by FE-SEM, EDS mapping analysis, and XPS analysis. The mapping dots of the elements including Ti, Ca, Pd, Ag, and P showed a homogeneous distribution throughout the entire surface when deposited onto the protruded TiO2 barrier layer. The XPS spectra of Ti-2p, O-1S, Pd-3d, and Ag-3d have been investigated, with the major XPS peak indicating Pd-3d. The Ag-3d level was clearly observed with further scanning of the Ca-2p region. Based on the results of the chemical states, the structural properties of the protrusion patterns were also examined after being deposited onto the barrier oxide film, resulting in the representative protrusion patterns being mainly composed of Pd-Ag-HAp compounds. The results of the soaking evaluation showed that the protrusion patterns and the protruded TiO2 barrier layer were all effective in regards to biocompatibility.

Effect of Electron Beam Irradiation on Structural and Optical Properties of Cu-Doped In2O3 Films Prepared by RF Magnetron Sputtering

NASA Astrophysics Data System (ADS)

Krishnan, R. Reshmi; Sanjeev, Ganesh; Prabhu, Radhakrishna; Pillai, V. P. Mahadevan

2018-02-01

Undoped and Cu-doped In2O3 films were prepared by radiofrequency magnetron sputtering technique. The effects of Cu doping and high-energy electron beam irradiation on the structural and optical properties of as-prepared films were investigated using techniques such as x-ray diffraction, x-ray photoelectron spectroscopy (XPS), lateral scanning electron microscopic image analysis, energy-dispersive x-ray (EDX) spectroscopy, micro-Raman, and ultraviolet-visible (UV-vis) spectroscopy. Moderate doping of Cu in In2O3 enhanced the intensity of (222) peak, indicating alignment of crystalline grains along <111>. Electron beam irradiation promoted orientation of crystalline grains along <111> in undoped and moderately Cu-doped films. EDX spectroscopic and XPS analyses revealed incorporation of Cu2+ ions in the lattice. The transmittance of Cu-doped films decreased with e-beam irradiation. Systematic reduction of the bandgap energy with increase in Cu doping concentration was seen in unirradiated and electron-beam-irradiated films.

XPS and EELS characterization of Mn2SiO4, MnSiO3 and MnAl2O4

NASA Astrophysics Data System (ADS)

Grosvenor, A. P.; Bellhouse, E. M.; Korinek, A.; Bugnet, M.; McDermid, J. R.

2016-08-01

X-ray Photoelectron Spectroscopy (XPS) and Electron Energy Loss Spectroscopy (EELS) are strong candidate techniques for characterizing steel surfaces and substrate-coating interfaces when investigating the selective oxidation and reactive wetting of advanced high strength steels (AHSS) during the continuous galvanizing process. However, unambiguous identification of ternary oxides such as Mn2SiO4, MnSiO3, and MnAl2O4 by XPS or EELS, which can play a significant role in substrate reactive wetting, is difficult due to the lack of fully characterized standards in the literature. To resolve this issue, samples of Mn2SiO4, MnSiO3 and MnAl2O4 were synthesized and characterized by XPS and EELS. The unique features of the XPS and EELS spectra for the Mn2SiO4, MnSiO3 and MnAl2O4 standards were successfully derived, thereby allowing investigators to fully differentiate and identify these oxides at the surface and subsurface of Mn, Si and Al alloyed AHSS using these techniques.

Proton transfer and hydrogen bonding in the organic solid state: a combined XRD/XPS/ssNMR study of 17 organic acid-base complexes.

PubMed

Stevens, Joanna S; Byard, Stephen J; Seaton, Colin C; Sadiq, Ghazala; Davey, Roger J; Schroeder, Sven L M

2014-01-21

The properties of nitrogen centres acting either as hydrogen-bond or Brønsted acceptors in solid molecular acid-base complexes have been probed by N 1s X-ray photoelectron spectroscopy (XPS) as well as (15)N solid-state nuclear magnetic resonance (ssNMR) spectroscopy and are interpreted with reference to local crystallographic structure information provided by X-ray diffraction (XRD). We have previously shown that the strong chemical shift of the N 1s binding energy associated with the protonation of nitrogen centres unequivocally distinguishes protonated (salt) from hydrogen-bonded (co-crystal) nitrogen species. This result is further supported by significant ssNMR shifts to low frequency, which occur with proton transfer from the acid to the base component. Generally, only minor chemical shifts occur upon co-crystal formation, unless a strong hydrogen bond is formed. CASTEP density functional theory (DFT) calculations of (15)N ssNMR isotropic chemical shifts correlate well with the experimental data, confirming that computational predictions of H-bond strengths and associated ssNMR chemical shifts allow the identification of salt and co-crystal structures (NMR crystallography). The excellent agreement between the conclusions drawn by XPS and the combined CASTEP/ssNMR investigations opens up a reliable avenue for local structure characterization in molecular systems even in the absence of crystal structure information, for example for non-crystalline or amorphous matter. The range of 17 different systems investigated in this study demonstrates the generic nature of this approach, which will be applicable to many other molecular materials in organic, physical, and materials chemistry.

AFM AND XPS Characterization of Zinc-Aluminum Alloy Coatings with Attention to Surface Dross and Flow Lines

NASA Astrophysics Data System (ADS)

Harding, Felipe A.; Alarcon, Nelson A.; Toledo, Pedro G.

Surfaces of various zinc-aluminum alloy (Zn-Al) coated steel samples are studied with attention to foreign surface dross by atomic force microscopy (AFM) and X-ray photoelectron spectroscopy (XPS/ESCA). AFM topographic maps of zinc-aluminum alloy surfaces free of dross reveal the perfect nanoscale details of two kinds of dendrites: branched and globular. In all magnifications the dendrites appear smooth and, in general, very clean. XPS analysis of the extreme surface of a Zn-Al sample reveals Al, Zn, Si and O as the main components. The XPS results show no segregation or separation of phases other than those indicated by the ternary Al-Zn-Si diagram. For surfaces of Zn-Al plagued with impurities, high resolution AFM topographic maps reveal three situations: (1) areas with well-defined dendrites, relatively free of dross; (2) areas with small, millimeter-sized black spots known as dross; and (3) areas with large black stains, known as flow lines. Dendrite deformation and dross accumulation increase notably in the neighborhood, apparently clean to the naked eye, of dross or flow lines. XPS results of areas with dross and flow lines indicate unacceptable high concentration of Si and important Si phase separation. These results, in the light of AFM work, reveal that dross and flow lines are a consequence of a high local concentration of Si from high melting point silica and silicate impurities in the Zn-Al alloy source.

Multi-resonance peaks fiber Bragg gratings based on largely-chirped structure

NASA Astrophysics Data System (ADS)

Chen, Chao; Zhang, Xuan-Yu; Wei, Wei-Hua; Chen, Yong-Yi; Qin, Li; Ning, Yong-Qiang; Yu, Yong-Sen

2018-04-01

A composite fiber Bragg grating (FBG) with multi-resonance peaks (MRPs) has been realized by using femtosecond (fs) laser point-by-point inscription in single-mode fiber. This device contains a segment of largely-chirped gratings with the ultrahigh chirp coefficients and a segment of uniform high-order gratings. The observed MRPs are distributed in an ultra-broadband wavelength range from 1200 nm to 1700 nm in the form of quasi-period or multi-peak-group. For the 8th-order MRPs-FBG, we studied the axial strain and high-temperature sensing characteristics of different resonance peaks experimentally. Moreover, we have demonstrated a multi-wavelength fiber lasers with three-wavelength stable output by using a 9th-order MRPs-FBG as the wavelength selector. This work is significant for the fabrication and functionalization of FBGs with complicated spectra characteristics.

Comparing XPS on bare and capped ZrN films grown by plasma enhanced ALD: Effect of ambient oxidation

NASA Astrophysics Data System (ADS)

Muneshwar, Triratna; Cadien, Ken

2018-03-01

In this article we compare x-ray photoelectron spectroscopy (XPS) measurements on bare- and capped- zirconium nitride (ZrN) films to investigate the effect of ambient sample oxidation on the detected bound O in the form of oxide ZrO2 and/or oxynitride ZrOxNy. ZrN films in both bare- and Al2O3/AlN capped- XPS samples were grown by plasma-enhanced atomic layer deposition (PEALD) technique using tetrakis dimethylamino zirconium (TDMAZr) precursor, forming gas (5% H2, rest N2) inductively coupled plasma (ICP), and as received research grade process gases under identical process conditions. Capped samples were prepared by depositing 1 nm thick PEALD AlN on ZrN, followed by additional deposition of 1 nm thick ALD Al2O3, without venting of ALD reactor. On bare ZrN sample at room temperature, spectroscopic ellipsometry (SE) measurements with increasing ambient exposure times (texp) showed a self-limiting surface oxidation with the oxide thickness (dox) approaching 3.7 ± 0.02 nm for texp > 120 min. In XPS data measured prior to sample sputtering (tsput = 0), ZrO2 and ZrOxNy were detected in bare- samples, whereas only ZrN and Al2O3/AlN from capping layer were detected in capped- samples. For bare-ZrN samples, appearance of ZrO2 and ZrOxNy up to sputter depth (dsput) of 15 nm in depth-profile XPS data is in contradiction with measured dox = 3.7 nm, but explained from sputtering induced atomic inter-diffusion within analyzed sample. Appearance of artifacts in the XPS spectra from moderately sputtered (dsput = 0.2 nm and 0.4 nm) capped-ZrN sample, provides an evidence to ion-bombardment induced modifications within analyzed sample.

Surface chemical properties of eutectic and frozen NaCl solutions probed by XPS and NEXAFS.

PubMed

Křepelová, Adéla; Huthwelker, Thomas; Bluhm, Hendrik; Ammann, Markus

2010-12-17

We study the surface of sodium chloride-water mixtures above, at, and below the eutectic temperature using X-ray photoelectron spectroscopy (XPS) and electron-yield near-edge X-ray absorption fine structure (NEXAFS) spectroscopy. The NaCl frozen solutions are mimicking sea-salt deposits in ice or snow. Sea-salt particles emitted from the oceans are a major contributor to the global aerosol burden and can act as a catalyst for heterogeneous chemistry or as cloud condensation nuclei. The nature of halogen ions at ice surfaces and their influence on surface melting of ice are of significant current interest. We found that the surface of the frozen solution, depending on the temperature, consists of ice and different NaCl phases, that is, NaCl, NaCl·2H(2)O, and surface-adsorbed water.

Peak-flow frequency relations and evaluation of the peak-flow gaging network in Nebraska

USGS Publications Warehouse

Soenksen, Philip J.; Miller, Lisa D.; Sharpe, Jennifer B.; Watton, Jason R.

1999-01-01

Estimates of peak-flow magnitude and frequency are required for the efficient design of structures that convey flood flows or occupy floodways, such as bridges, culverts, and roads. The U.S. Geological Survey, in cooperation with the Nebraska Department of Roads, conducted a study to update peak-flow frequency analyses for selected streamflow-gaging stations, develop a new set of peak-flow frequency relations for ungaged streams, and evaluate the peak-flow gaging-station network for Nebraska. Data from stations located in or within about 50 miles of Nebraska were analyzed using guidelines of the Interagency Advisory Committee on Water Data in Bulletin 17B. New generalized skew relations were developed for use in frequency analyses of unregulated streams. Thirty-three drainage-basin characteristics related to morphology, soils, and precipitation were quantified using a geographic information system, related computer programs, and digital spatial data.For unregulated streams, eight sets of regional regression equations relating drainage-basin to peak-flow characteristics were developed for seven regions of the state using a generalized least squares procedure. Two sets of regional peak-flow frequency equations were developed for basins with average soil permeability greater than 4 inches per hour, and six sets of equations were developed for specific geographic areas, usually based on drainage-basin boundaries. Standard errors of estimate for the 100-year frequency equations (1percent probability) ranged from 12.1 to 63.8 percent. For regulated reaches of nine streams, graphs of peak flow for standard frequencies and distance upstream of the mouth were estimated.The regional networks of streamflow-gaging stations on unregulated streams were analyzed to evaluate how additional data might affect the average sampling errors of the newly developed peak-flow equations for the 100-year frequency occurrence. Results indicated that data from new stations, rather than more

Intensity analysis of XPS spectra to determine oxide uniformity - Application to SiO2/Si interfaces

NASA Technical Reports Server (NTRS)

Vasquez, R. P.; Grunthaner, F. J.

1980-01-01

A simple method of determining oxide uniformity is derived which requires no knowlege of film thickness, escape depth, or film composition. The method involves only the measurement of oxide and substrate intensities and is illustrated by analysis of XPS spectral data for thin SiO2 films grown both thermally and by low-temperature chemical vapor deposition on monocrystalline Si. A region 20-30 A thick is found near the SiO2/Si interface on thermally oxidized samples which has an inelastic mean free path 35% less than that found in the bulk oxide. This is interpreted as being due to lattice mismatch resulting in a strained region which is structurally, but not stoichiometrically, distinct from the bulk oxide.

Toward a better determination of dairy powders surface composition through XPS matrices development.

PubMed

Nikolova, Y; Petit, J; Sanders, C; Gianfrancesco, A; Scher, J; Gaiani, C

2015-01-01

The surface composition of dairy powders prepared by mixing various amounts of micellar casein (MC), whey proteins isolate (WPI), lactose, and anhydrous milk fat (AMF) was investigated by XPS measurements. The use of matrices are generally accepted to transform surface atomic composition (i.e., C, O, N contents) into surface component composition (i.e., lactose, proteins, lipids). These atomic-based matrices were revisited and two new matrices based on the surface bond composition were developed. Surface compositions obtained from atomic and bond-based matrices were compared. A successful matrix allowing good correlations between XPS predicted and theoretical surface composition for powders free from fat was identified. Nevertheless, samples containing milk fat were found to present a possible segregation of components owing to the AMF overrepresentation on the surface. Supplementary analyses (FTIR, SEM) were carried out in order to investigate the homogeneity of the mixtures. Copyright © 2014 Elsevier B.V. All rights reserved.

Decoupling effect and forecasting of economic growth and energy structure under the peak constraint of carbon emissions in China.

PubMed

Wang, Shijin; Li, Cunfang; Yang, Lizhu

2018-06-26

The decoupling effect between economic growth and energy structure was quantitatively analyzed from 1999 to 2014 across China. The results showed it existed weak decoupling effects in most regions. Based on the analysis of the influence of energy structure on carbon intensity, using scenario simulation methods and Markov chain modeling, the carbon intensity was predicted for China in 2020. The impact of energy structure adjustment on the carbon intensity to meet China's carbon target by 18 possible scenarios are calculated. Furthermore, the peak value of carbon emissions was also calculated in 2030. The results showed that the carbon intensity predicted for China in 2020 can be achieved regardless of whether the energy structure was adjusted or not when energy saving and carbon reduction policies maintained with economic growth at 6-7%. Moreover, given fixed energy structure growth, for each 1% of economic growth, the carbon intensity will decrease by about 3.5%. Given fixed economic growth, the decrease of energy intensity will be greater if the control of energy consumption is stronger. The effect of energy structure adjustment on the decreasing of carbon intensity will be 4% higher under constraints than without constraints. On average, the contribution of energy structure adjustment to achieving the carbon intensity target was calculated as 4% higher than that with constraints. In addition, given relatively fixed economic growth at 6-7%, the peak value of carbon emission in 2030 was calculated as 13.209 billion tons with constraints and 14.38 billion tons without constraints.

Use of XPS to clarify the Hall coefficient sign variation in thin niobium layers buried in silicon

NASA Astrophysics Data System (ADS)

Demchenko, Iraida N.; Lisowski, Wojciech; Syryanyy, Yevgen; Melikhov, Yevgen; Zaytseva, Iryna; Konstantynov, Pavlo; Chernyshova, Maryna; Cieplak, Marta Z.

2017-03-01

Si/Nb/Si trilayers formed with 9.5 and 1.3 nm thick niobium layer buried in amorphous silicon were prepared by magnetron sputtering and studied using XPS depth-profile techniques in order to investigate the change of Hall coefficient sign with thickness. The analysis of high-resolution (HR) XPS spectra revealed that the thicker layer sample has sharp top interface and metallic phase of niobium, thus holes dominate the transport. In contrast, the analysis indicates that the thinner layer sample has a Nb-rich mixed alloy formation at the top interface. The authors suggest that the main effect leading to a change of sign of the Hall coefficient for the thinner layer sample (which is negative contrary to the positive sign for the thicker layer sample) may be related to strong boundary scattering enhanced by the presence of silicon ions in the layer close to the interface/s. The depth-profile reconstruction was performed by SESSA software tool confirming that it can be reliably used for quantitative analysis/interpretation of experimental XPS data.

Eu(III) sorption to TiO2 (anatase and rutile): batch, XPS, and EXAFS studies.

PubMed

Tan, Xiaoli; Fan, Qiaohui; Wang, Xiangke; Grambow, Bernd

2009-05-01

The sorption of Eu(III) on anatase and rutile was studied as a function of ionic strength, humic acid (HA, 7.5 mg/L), and electrolyte anions over a large range of pH (2-12). The presence of HA significantly affected Eu(III) sorption to anatase and rutile. The sorption of Eu(III) on anatase and rutile was independent of ionic strength. Results of an X-ray photoelectron spectroscopy (XPS) analysis showed that Eu(III) was chemically present within the near-surface of TiO2 due to the formation of triple bond SOEu and triple bond SOHAEu complexes. An extended X-ray absorption fine structure (EXAFS) technique was applied to characterize the local structural environment of the adsorbed Eu(III), and the results indicated that Eu(III) was bound to about seven or eight O atoms at a distance of about 2.40 A. The functional groups of surface-bound HA were expected to be involved in the sorption process. The measured Eu-Ti distance confirmed the formation of inner-sphere sorption complexes on a TiO2 surface.

[Spectroscopic study on film formation mechanism and structure of composite silanes-V-Zr passive film].

PubMed

Wang, Lei; Liu, Chang-sheng; Shi, Lei; An, Cheng-qiang

2015-02-01

A composite silanes-V-Zr passive film was overlayed on hot-dip galvanized steel. Attenuated total reflection Fourier transformed infrared spectroscopy (ATR-FTIR), X-ray photoelectron spectrometer (XPS) and radio frequency glow discharge optical emission spectrometry (rf-GD-OES) were used to characterize the molecular structure of the silanes-V-Zr passive film. The mechanism of film formation was discussed: The results show that the silane molecules are crosslinked as the main film former and inorganic inhibitor is even distributed in the film. The fitting peak of 100.7 eV in XPS single Si2p energy range spectra of the composite silanes-V-Zr passive film and the widening and strengthening of the Si--O infrared absorption peak at 1100 cm(-1) indicate that the silanes were adsorbed on the surface of zinc with chemical bond of Si--O--Zn, and the silane molecules were connected with each other by bond of Si--O--Si. Two characteristic absorption peaks of amide at 1650 and 1560 cm(-1) appear in the infrared spectroscopy of the composite silanes-V-Zr passive film, and a characteristic absorption peak of epoxy groups at 910 cm(-1) disappears in the infrared spectroscopy of the passive film. The results indicate that gamma-APT can be prepared through nucleophilic ring-opening of ethylene oxide in gamma-GPT molecule to form C--N covalent bonds. The rf-GD-OES results indicate that there is a oxygen enriched layer in 0.3 microm depth of the composite silanes-V-Zr passive film. Moreover, ZrF4, ZrO2 and some inorganic matter obtained by the reaction during the forming processof the composite silanes-V-Zr passive film are distributed evenly throughout the film. According to the film composition, the physical processes and chemical reactions during the film forming process were studied by using ATR-FTIR. Based on this, the film forming mechanism was proposed.

Effect of nitrogen plasma afterglow on the surface charge effect resulted during XPS surface analysis of amorphous carbon nitride thin films

NASA Astrophysics Data System (ADS)

Kayed, Kamal

2018-06-01

The aim of this paper is to investigate the relationship between the micro structure and the surface charge effect resulted during XPS surface analysis of amorphous carbon nitride thin films prepared by laser ablation method. The study results show that the charge effect coefficient (E) is not just a correction factor. We found that the changes in this coefficient value due to incorporation of nitrogen atoms into the carbon network are related to the spatial configurations of the sp2 bonded carbon atoms, order degree and sp2 clusters size. In addition, results show that the curve E vs. C(sp3)-N is a characteristic curve of the micro structure. This means that using this curve makes it easy to sorting the samples according to the micro structure (hexagonal rings or chains).

Temperature-induced structural evolution of Sm nanoparticles on Al2O3 thin film: An in-situ investigation using SRPES, XPS and STM

NASA Astrophysics Data System (ADS)

Xu, Qian; Hu, Shanwei; Wang, Weijia; Wang, Yan; Ju, Huanxin; Zhu, Junfa

2018-02-01

The structural evolution of Sm nanoclusters on ultrathin film of Al2O3 epitaxially grown on Ni3Al(111) substrate at elevated temperatures was investigated in-situ using synchrotron radiation photoemission spectroscopy (SRPES), X-ray photoelectron spectroscopy (XPS) and scanning tunneling microscopy (STM). The vapor-deposited metallic Sm onto the Al2O3 thin film at 300 K is partially oxidized, leading to the appearance of both Sm2+ and Sm3+ states at low coverages, due to the charge transfer from Sm to oxide film. The complete oxidation of the Sm, i.e., all Sm2+ converted to Sm3+, occurs when the sample is annealed to 500 K. Further annealing results in the diffusion of Sm into the Al2O3 lattice. At ∼900 K, the formation of a SmAlO3 complex is observed. However, this complex starts to decompose and desorb from the surface at temperature higher than 1200 K. Interestingly, it is found that Sm can promote the oxidation of Ni3Al substrate and thicken the alumina film when Sm is deposited at room temperature onto the Al2O3/Ni3Al(111) substrate followed by annealing in oxygen environment at ∼800 K.

Compositional and surface characterization of HULIS by UV-Vis, FTIR, NMR and XPS: Wintertime study in Northern India

NASA Astrophysics Data System (ADS)

Kumar, Varun; Goel, Anubha; Rajput, Prashant

2017-09-01

This study (first attempt) characterizes HULIS (Humic Like Substances) in wintertime aerosols (n = 12 during day and nighttime each) from Indo-Gangetic Plain (IGP, at Kanpur) by using various state-of-the art techniques such as UV-VIS, FTIR, 1H NMR and XPS. Based on UV-Vis analysis the absorption coefficient at 365 nm (babs-365) of HULIS was found to average at 13.6 and 28.8 Mm-1 during day and nighttime, respectively. Relatively high babs-365 of HULIS during the nighttime is attributed to influence of fog-processing. However, the power fit of UV-Vis spectrum provided near similar AAE (absorption Angstrom exponent) value of HULIS centering at 4.9 ± 1.4 and 5.1 ± 1.3 during daytime and nighttime, respectively. FTIR spectra and its double derivative revealed the presence of various functional groups viz. alcohols, ketones aldehydes, carboxylic acids as well as unsaturated and saturated carbon bonds. 1H NMR spectroscopy was applied to quantify relative percentage of various types of hydrogen atoms contained in HULIS, whereas XPS technique provided information on surface composition and oxidation states of various elements present. A significantly high abundance of H‒C‒O group has been observed in HULIS (based on 1H NMR); 41.4± 2.7% and 30.9± 2.4% in day and nighttime, respectively. However, aromatic protons (Ar-H) were higher in nighttime samples (19.3± 1.8%) as compared to that in daytime samples (7.5 ± 1.9). XPS studies revealed presence of various species on the surface of HULIS samples. Carbon existed in 7 different chemical states while total nitrogen and sulfur exhibited 3 and 2 different oxidation states (respectively) on the surface of HULIS. This study reports structural information and absorption properties of HULIS which has implications to their role as cloud condensation nuclei and atmospheric direct radiative forcing.

Kinetic modelling of the optically stimulated conversion of peaks 5a and 5 to peak 4 in LiF:Mg,Ti (TLD-100).

PubMed

Weizman, Y; Horowitz, Y S; Oster, L

2002-01-01

The TC/LC conversion model for peaks 4, 5a and 5 in LiF:Mg,Ti (TLD-100) has been studied by solution of the coupled differential equations describing the charge carrier traffic following optical stimulation. Aspects of the model investigated were (i) the two-component exponential decay of the composite peak 5 TL intensity following the bleach, (ii) the role of retrapping during bleaching, (iii) the hole nature of peak 4 and (iv) the conversion of peak 5a traps to peak 4 traps. The high conversion efficiency is naturally explained due to the absence of conduction band competitive mechanisms in the optical ionisation of the electron in the e-h occupied structure corresponding to peak 5a and thereby leading to the hole-only occupied TC/LC leading to peak 4.

Unravelling Some of the Structure-Property Relationships in Graphene Oxide at Low Degree of Oxidation.

PubMed

Savazzi, Filippo; Risplendi, Francesca; Mallia, Giuseppe; Harrison, Nicholas M; Cicero, Giancarlo

2018-04-05

Graphene oxide (GO) is a versatile 2D material whose properties can be tuned by changing the type and concentration of oxygen-containing functional groups attached to its surface. However, a detailed knowledge of the dependence of the chemo/physical features of this material on its chemical composition is largely unknown. We combine classical molecular dynamics and density functional theory simulations to predict the structural and electronic properties of GO at low degree of oxidation and suggest a revision of the Lerf-Klinowski model. We find that layer deformation is larger for samples containing high concentrations of epoxy groups and that correspondingly the band gap increases. Targeted chemical modification of the GO surface appears to be an effective route to tailor the electronic properties of the monolayer for given applications. Our simulations also show that the chemical shift of the C-1s XPS peak allows one to unambiguously characterize GO composition, resolving the peak attribution  uncertainty often encountered in experiments.

Peak picking multidimensional NMR spectra with the contour geometry based algorithm CYPICK.

PubMed

Würz, Julia M; Güntert, Peter

2017-01-01

The automated identification of signals in multidimensional NMR spectra is a challenging task, complicated by signal overlap, noise, and spectral artifacts, for which no universally accepted method is available. Here, we present a new peak picking algorithm, CYPICK, that follows, as far as possible, the manual approach taken by a spectroscopist who analyzes peak patterns in contour plots of the spectrum, but is fully automated. Human visual inspection is replaced by the evaluation of geometric criteria applied to contour lines, such as local extremality, approximate circularity (after appropriate scaling of the spectrum axes), and convexity. The performance of CYPICK was evaluated for a variety of spectra from different proteins by systematic comparison with peak lists obtained by other, manual or automated, peak picking methods, as well as by analyzing the results of automated chemical shift assignment and structure calculation based on input peak lists from CYPICK. The results show that CYPICK yielded peak lists that compare in most cases favorably to those obtained by other automated peak pickers with respect to the criteria of finding a maximal number of real signals, a minimal number of artifact peaks, and maximal correctness of the chemical shift assignments and the three-dimensional structure obtained by fully automated assignment and structure calculation.

The Effect of Thermal and Mechanical Treatments on Kaolinite: Characterization by XPS and IEP Measurements.

PubMed

Torres Sánchez RM; Basaldella; Marco

1999-07-15

The surface transformations induced on kaolinite by different thermal and mechanical treatments have been investigated by means of X-ray photoelectron spectroscopy (XPS), Bremsstrahlung induced Auger spectroscopy, and isoelectric point (IEP) measurements. Heating the kaolinite at temperatures between 500 and 750 degrees C results in the change of a substantial fraction of surface Al from octahedral to tetrahedral coordination, which we associate with the dehydroxylation of kaolinite. Heating at 900 and 980 degrees C brings about the development of an octahedral Al fraction which is associated with the formation of gamma-Al(2)O(3). The development of an Al tetrahedral component in the Al KLL spectra of the mechanically treated (ground) samples has been also observed. The Si/Al atomic ratio obtained by XPS in the thermally treated samples is the same as that shown by the original kaolinite. However, the XPS data show a clear reduction of the Si/Al atomic ratio in the mechanically treated samples, which suggests that the mechanical treatment has induced an Al enrichment of the kaolinite surface. The IEP values indicated a thermal transformation to metakaolinite and mullite with the increase of temperature (750 to 980 degrees C). The IEP change for the milled samples can be only explained by assuming a 30% kaolinite coating by the Al oxide neoformed by grinding. Copyright 1999 Academic Press.

The formation of peak rings in large impact craters.

PubMed

Morgan, Joanna V; Gulick, Sean P S; Bralower, Timothy; Chenot, Elise; Christeson, Gail; Claeys, Philippe; Cockell, Charles; Collins, Gareth S; Coolen, Marco J L; Ferrière, Ludovic; Gebhardt, Catalina; Goto, Kazuhisa; Jones, Heather; Kring, David A; Le Ber, Erwan; Lofi, Johanna; Long, Xiao; Lowery, Christopher; Mellett, Claire; Ocampo-Torres, Rubén; Osinski, Gordon R; Perez-Cruz, Ligia; Pickersgill, Annemarie; Poelchau, Michael; Rae, Auriol; Rasmussen, Cornelia; Rebolledo-Vieyra, Mario; Riller, Ulrich; Sato, Honami; Schmitt, Douglas R; Smit, Jan; Tikoo, Sonia; Tomioka, Naotaka; Urrutia-Fucugauchi, Jaime; Whalen, Michael; Wittmann, Axel; Yamaguchi, Kosei E; Zylberman, William

2016-11-18

Large impacts provide a mechanism for resurfacing planets through mixing near-surface rocks with deeper material. Central peaks are formed from the dynamic uplift of rocks during crater formation. As crater size increases, central peaks transition to peak rings. Without samples, debate surrounds the mechanics of peak-ring formation and their depth of origin. Chicxulub is the only known impact structure on Earth with an unequivocal peak ring, but it is buried and only accessible through drilling. Expedition 364 sampled the Chicxulub peak ring, which we found was formed from uplifted, fractured, shocked, felsic basement rocks. The peak-ring rocks are cross-cut by dikes and shear zones and have an unusually low density and seismic velocity. Large impacts therefore generate vertical fluxes and increase porosity in planetary crust. Copyright © 2016, American Association for the Advancement of Science.

The ratio of profile peak separations as a probe of pulsar radio-beam structure

NASA Astrophysics Data System (ADS)

Dyks, J.; Pierbattista, M.

2015-12-01

The known population of pulsars contains objects with four- and five-component profiles, for which the peak-to-peak separations between the inner and outer components can be measured. These Q- and M-type profiles can be interpreted as a result of sightline cut through a nested-cone beam, or through a set of azimuthal fan beams. We show that the ratio RW of the components' separations provides a useful measure of the beam shape, which is mostly independent of parameters that determine the beam scale and complicate interpretation of simpler profiles. In particular, the method does not depend on the emission altitude and the dipole tilt distribution. The different structures of the radio beam imply manifestly different statistical distributions of RW, with the conal model being several orders of magnitude less consistent with data than the fan-beam model. To bring the conal model into consistency with data, strong effects of observational selection need to be called for, with 80 per cent of Q and M profiles assumed to be undetected because of intrinsic blending effects. It is concluded that the statistical properties of Q and M profiles are more consistent with the fan-shaped beams, than with the traditional nested-cone geometry.

Universal link between the boson peak and transverse phonons in glass.

PubMed

Shintani, Hiroshi; Tanaka, Hajime

2008-11-01

The physical properties of a topologically disordered amorphous material (glass), such as heat capacity and thermal conductivity, are markedly different from those of its ordered crystalline counterpart. The understanding of these phenomena is a notoriously complex problem. One of the universal features of disordered glasses is the 'boson peak', which is observed in neutron and Raman scattering experiments. The boson peak is typically ascribed to an excess density of vibrational states. Here, we study the nature of the boson peak, using numerical simulations of several glass-forming systems. We discovered evidence suggestive of the equality of the boson peak frequency to the Ioffe-Regel limit for 'transverse' phonons, above which transverse phonons no longer propagate. Our results indicate a possibility that the origin of the boson peak is transverse vibrational modes associated with defective soft structures in the disordered state. Furthermore, we suggest a possible link between slow structural relaxation and fast boson peak dynamics in glass-forming systems.

PeakForce Tapping resolves individual microvilli on living cells.

PubMed

Schillers, Hermann; Medalsy, Izhar; Hu, Shuiqing; Slade, Andrea L; Shaw, James E

2016-02-01

Microvilli are a common structure found on epithelial cells that increase the apical surface thus enhancing the transmembrane transport capacity and also serve as one of the cell's mechanosensors. These structures are composed of microfilaments and cytoplasm, covered by plasma membrane. Epithelial cell function is usually coupled to the density of microvilli and its individual size illustrated by diseases, in which microvilli degradation causes malabsorption and diarrhea. Atomic force microscopy (AFM) has been widely used to study the topography and morphology of living cells. Visualizing soft and flexible structures such as microvilli on the apical surface of a live cell has been very challenging because the native microvilli structures are displaced and deformed by the interaction with the probe. PeakForce Tapping® is an AFM imaging mode, which allows reducing tip-sample interactions in time (microseconds) and controlling force in the low pico-Newton range. Data acquisition of this mode was optimized by using a newly developed PeakForce QNM-Live Cell probe, having a short cantilever with a 17-µm-long tip that minimizes hydrodynamic effects between the cantilever and the sample surface. In this paper, we have demonstrated for the first time the visualization of the microvilli on living kidney cells with AFM using PeakForce Tapping. The structures observed display a force dependence representing either the whole microvilli or just the tips of the microvilli layer. Together, PeakForce Tapping allows force control in the low pico-Newton range and enables the visualization of very soft and flexible structures on living cells under physiological conditions. © 2015 The Authors Journal of Molecular Recognition Published by John Wiley & Sons Ltd.

Composite targets in HiPIMS plasmas: Correlation of in-vacuum XPS characterization and optical plasma diagnostics

NASA Astrophysics Data System (ADS)

Layes, Vincent; Monje, Sascha; Corbella, Carles; Schulz-von der Gathen, Volker; von Keudell, Achim; de los Arcos, Teresa

2017-05-01

In-vacuum characterization of magnetron targets after High Power Impulse Magnetron Sputtering (HiPIMS) has been performed by X-ray photoelectron spectroscopy (XPS). Al-Cr composite targets (circular, 50 mm diameter) mounted in two different geometries were investigated: an Al target with a small Cr disk embedded at the racetrack position and a Cr target with a small Al disk embedded at the racetrack position. The HiPIMS discharge and the target surface composition were characterized in parallel for low, intermediate, and high power conditions, thus covering both the Ar-dominated and the metal-dominated HiPIMS regimes. The HiPIMS plasma was investigated using optical emission spectroscopy and fast imaging using a CCD camera; the spatially resolved XPS surface characterization was performed after in-vacuum transfer of the magnetron target to the XPS chamber. This parallel evaluation showed that (i) target redeposition of sputtered species was markedly more effective for Cr atoms than for Al atoms; (ii) oxidation at the target racetrack was observed even though the discharge ran in pure Ar gas without O2 admixture, the oxidation depended on the discharge power and target composition; and (iii) a bright emission spot fixed on top of the inserted Cr disk appeared for high power conditions.

GRAIL gravity observations of the transition from complex crater to peak-ring basin on the Moon: Implications for crustal structure and impact basin formation

NASA Astrophysics Data System (ADS)

Baker, David M. H.; Head, James W.; Phillips, Roger J.; Neumann, Gregory A.; Bierson, Carver J.; Smith, David E.; Zuber, Maria T.

2017-08-01

High-resolution gravity data from the Gravity Recovery and Interior Laboratory (GRAIL) mission provide the opportunity to analyze the detailed gravity and crustal structure of impact features in the morphological transition from complex craters to peak-ring basins on the Moon. We calculate average radial profiles of free-air anomalies and Bouguer anomalies for peak-ring basins, protobasins, and the largest complex craters. Complex craters and protobasins have free-air anomalies that are positively correlated with surface topography, unlike the prominent lunar mascons (positive free-air anomalies in areas of low elevation) associated with large basins. The Bouguer gravity anomaly profiles of complex craters are highly irregular, with central positive anomalies that are generally absent or not clearly tied to interior morphology. In contrast, gravity profiles for peak-ring basins (∼200 km to 580 km) are much more regular and are highly correlated with surface morphology. A central positive Bouguer anomaly is confined within the peak ring and a negative Bouguer anomaly annulus extends from the edge of the positive anomaly outward to about the rim crest. A number of degraded basins lacking interior peak rings have diameters and gravity patterns similar to those of well-preserved peak-ring basins. If these structures represent degraded peak-ring basins, the number of peak-ring basins on the Moon would increase by more than a factor of two to 34. The gravity anomalies within basins are interpreted to be due to uplift of the mantle confined within the peak ring and an annulus of thickened crust between the peak ring and rim crest. We hypothesize that mantle uplift is influenced by interaction between the transient cavity and the mantle. Further, mascon formation is generally disconnected from the number of basin rings formed and occurs over a wide range of basin sizes. These observations have important implications for models of basin and mascon formation on the Moon

GRAIL Gravity Observations of the Transition from Complex Crater to Peak-Ring Basin on the Moon: Implications for Crustal Structure and Impact Basin Formation

NASA Technical Reports Server (NTRS)

Baker, David M. H.; Head, James W.; Phillips, Roger J.; Neumann, Gregory A.; Bierson, Carver J.; Smith, David E.; Zuber, Maria T.

2017-01-01

High-resolution gravity data from the Gravity Recovery and Interior Laboratory (GRAIL) mission provide the opportunity to analyze the detailed gravity and crustal structure of impact features in the morphological transition from complex craters to peak-ring basins on the Moon. We calculate average radial profiles for free-air anomalies and Bouguer anomalies for peak-ring basins, proto-basins, and the largest complex craters. Complex craters and proto-basins have free-air anomalies that are positively correlated with surface topography, unlike the prominent lunar mascons (positive free-air anomalies in areas of low elevation) associated with large basins. The Bouguer gravity anomaly profiles of complex craters are highly irregular, with central positive anomalies that are generally absent or not clearly tied to interior morphology. In contrast, gravity profiles for peak-ring basins (approx. 200 km to 580 km) are much more regular and are highly correlated with surface morphology. A central positive Bouguer anomaly is confined within the peak ring and a negative Bouguer anomaly annulus extends from the edge of the positive anomaly outward to about the rim crest. A number of degraded basins lacking interior peak rings have diameters and gravity patterns similar to those of well-preserved peak-ring basins. If these structures represent degraded peak-ring basins, the number of peak-ring basins on the Moon would increase by more than a factor of two to 34. The gravity anomalies within basins are interpreted to be due to uplift of the mantle confined within the peak ring and an annulus of thickened crust between the peak ring and rim crest. We hypothesize that mantle uplift is influenced by interaction between the transient cavity and the mantle. Further, mascon formation is generally disconnected from the number of basin rings formed and occurs over a wide range of basin sizes. These observations have important implications for models of basin and mascon formation on the

Multicenter study on costs associated with two surgical procedures: GreenLight XPS 180 W versus the gold standard transurethral resection of the prostate.

PubMed

Benejam-Gual, J M; Sanz-Granda, A; Budía, A; Extramiana, J; Capitán, C

2014-01-01

To analyze the costs associated with two surgical procedures for lower urinary tract symptoms secondary to benign prostatic hyperplasia: GreenLight XPS 180¦W versus the gold standard transurethral resection of the prostate. A multicenter, retrospective cost study was carried out from the National Health Service perspective, over a 3-month time period. Costs were broken down into pre-surgical, surgical and post-surgical phases. Data were extracted from records of patients operated sequentially, with IPSS=15, Qmax=15 mL/seg and a prostate volume of 40-80mL, adding only direct healthcare costs (€, 2013) associated with the procedure and management of complications. A total of 79 patients sequentially underwent GL XPS (n: 39) or TURP (n: 40) between July and October, 2013. Clinical outcomes were similar (94.9% and 92.5%, GL XPS and TURP, respectively) without significant differences (P=.67). The average direct cost per patient was reduced by €114 in GL XPS versus TURP patients; the cost was higher in the surgical phase with GL XPS (difference: €1,209; P<.001) but was lower in the post-surgical phase (difference: €-1,351; P<.001). The GreenLight XPS 180-W laser system is associated with a reduction in costs with respect to transurethral resection of prostate in the surgical treatment of LUTS secondary to PBH. This reduction is due to a shorter inpatient length of stay that offsets the cost of the new technology. Copyright © 2013 AEU. Published by Elsevier Espana. All rights reserved.

[A peak recognition algorithm designed for chromatographic peaks of transformer oil].

PubMed

Ou, Linjun; Cao, Jian

2014-09-01

In the field of the chromatographic peak identification of the transformer oil, the traditional first-order derivative requires slope threshold to achieve peak identification. In terms of its shortcomings of low automation and easy distortion, the first-order derivative method was improved by applying the moving average iterative method and the normalized analysis techniques to identify the peaks. Accurate identification of the chromatographic peaks was realized through using multiple iterations of the moving average of signal curves and square wave curves to determine the optimal value of the normalized peak identification parameters, combined with the absolute peak retention times and peak window. The experimental results show that this algorithm can accurately identify the peaks and is not sensitive to the noise, the chromatographic peak width or the peak shape changes. It has strong adaptability to meet the on-site requirements of online monitoring devices of dissolved gases in transformer oil.

An XPS study on the impact of relative humidity on the aging of UO 2 powders

DOE PAGES

Donald, Scott B.; Dai, Zurong R.; Davisson, M. Lee; ...

2017-02-10

High resolution x-ray photoemission spectroscopy (XPS) was used to characterize the chemical speciation of high purity uranium dioxide (UO 2) powder samples following aging for periods of up to one year under controlled conditions with relative humidity ranging from 34% to 98%. A systematic shift to higher uranium oxidation states, and thus an increase in the mean uranium valence, was found to directly correlate with the dose of water received (i.e. the product of exposure time and relative humidity). Exposure duration was found to have a greater impact on sample aging than relative humidity. Lastly, the sample aged at 98%more » relative humidity was found to have unique structural differences for exposure time beyond 180 days when observed by scanning electron microscopy (SEM).« less

An XPS study on the impact of relative humidity on the aging of UO 2 powders

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

Donald, Scott B.; Dai, Zurong R.; Davisson, M. Lee

High resolution x-ray photoemission spectroscopy (XPS) was used to characterize the chemical speciation of high purity uranium dioxide (UO 2) powder samples following aging for periods of up to one year under controlled conditions with relative humidity ranging from 34% to 98%. A systematic shift to higher uranium oxidation states, and thus an increase in the mean uranium valence, was found to directly correlate with the dose of water received (i.e. the product of exposure time and relative humidity). Exposure duration was found to have a greater impact on sample aging than relative humidity. Lastly, the sample aged at 98%more » relative humidity was found to have unique structural differences for exposure time beyond 180 days when observed by scanning electron microscopy (SEM).« less

Observation of a peaking structure in the $$J/\\psi \\phi$$ mass spectrum from $$B^{\\pm} \\to J/\\psi \\phi K^{\\pm}$$ decays

DOE PAGES

Chatrchyan, Serguei

2014-05-22

A peaking structure in the J/psi phi mass spectrum near threshold is observed in B(+/-) to J/psi phi K(+/-) decays, produced in pp collisions at sqrt(s) = 7 TeV collected with the CMS detector at the LHC. The data sample, selected on the basis of the dimuon decay mode of the J/psi, corresponds to an integrated luminosity of 5.2 inverse femtobarns. Fitting the structure to an S-wave relativistic Breit-Wigner lineshape above a three-body phase-space nonresonant component gives a signal statistical significance exceeding five standard deviations. The fitted mass and width values are m = 4148.0 +- 2.4 (stat.) +- 6.3more » (syst.) MeV and Gamma = 28 +15 -11 (stat.) +- 19 (syst.) MeV, respectively. Evidence for an additional peaking structure at higher J/psi phi mass is also reported.« less

Impact of Coulomb potential on peak structures arising in momentum and low-energy photoelectron spectra produced in strong-field ionization of laser-irradiated atoms

NASA Astrophysics Data System (ADS)

Pyak, P. E.; Usachenko, V. I.

2018-03-01

The phenomenon of pronounced peak structure(s) of longitudinal momentum distributions as well as a spike-like structure of low-energy spectra of photoelectrons emitted from laser-irradiated Ar and Ne atoms in a single ionization process is theoretically studied in the tunneling and multiphoton regimes of ionization. The problem is addressed assuming only the direct above-threshold ionization (ATI) as a physical mechanism underlying the phenomenon under consideration (viz. solely contributing to observed photoelectron momentum distributions (PMD)) and using the Coulomb-Volkov (CV) ansatz within the frame of conventional strong-field approximation (SFA) applied in the length-gauge formulation. The developed CV-SFA approach also incorporates the density functional theory essentially exploited for numerical composition of initial (laser-free) atomic state(s) constructed from atomic orbitals of Gaussian type. Our presented CV-SFA based (and laser focal-volume averaged) calculation results proved to be well reproducing both the pronounced double-peak and/or ATI-like multi-peak structure(s) experimentally observed in longitudinal PMD under conditions of tunneling and/or multiphoton regime, respectively. In addition, our CV-SFA results presented for tunneling regime also suggest and remarkably reproduce a pronounced structure observed in relevant experiments as a ‘spike-like’ enhanced maximum arising in low-energy region (around the value of about 1 eV) of photoelectron spectra. The latter consistency allows to identify and interpret these results as the so-called low-energy structure (LES) since the phenomenon proved to appear as the most prominent if the influence of Coulomb potential on photoelectron continuum states is maximally taken into account under calculations (viz. if the parameter Z in CV’s functions is put equal to 1). Moreover, the calculated LES proved to correspond (viz., established as closely related) to the mentioned double-peak structure arising

Quantitative analysis of Si1-xGex alloy films by SIMS and XPS depth profiling using a reference material

NASA Astrophysics Data System (ADS)

Oh, Won Jin; Jang, Jong Shik; Lee, Youn Seoung; Kim, Ansoon; Kim, Kyung Joong

2018-02-01

Quantitative analysis methods of multi-element alloy films were compared. The atomic fractions of Si1-xGex alloy films were measured by depth profiling analysis with secondary ion mass spectrometry (SIMS) and X-ray Photoelectron Spectroscopy (XPS). Intensity-to-composition conversion factor (ICF) was used as a mean to convert the intensities to compositions instead of the relative sensitivity factors. The ICFs were determined from a reference Si1-xGex alloy film by the conventional method, average intensity (AI) method and total number counting (TNC) method. In the case of SIMS, although the atomic fractions measured by oxygen ion beams were not quantitative due to severe matrix effect, the results by cesium ion beam were very quantitative. The quantitative analysis results by SIMS using MCs2+ ions are comparable to the results by XPS. In the case of XPS, the measurement uncertainty was highly improved by the AI method and TNC method.

Defect structure of epitaxial layers of III nitrides as determined by analyzing the shape of X-ray diffraction peaks

NASA Astrophysics Data System (ADS)

Kyutt, R. T.

2017-04-01

The shape of X-ray diffraction epitaxial layers with high dislocation densities has been studied experimentally. Measurements with an X-ray diffractometer were performed in double- and triple-crystal setups with both Cu K α and Mo K α radiation. Epitaxial layers (GaN, AlN, AlGaN, ZnO, etc.) with different degrees of structural perfection grown by various methods on sapphire, silicon, and silicon carbide substrates have been examined. The layer thickness varied in the range of 0.5-30 μm. It has been found that the center part of peaks is well approximated by the Voigt function with different Lorentz fractions, while the wing intensity drops faster and may be represented by a power function (with the index that varies from one structure to another). A well-marked dependence on the ordering of dislocations was observed. The drop in intensity in the majority of structures with a regular system and regular threading dislocations was close to the theoretically predicted law Δθ-3; the intensity in films with a chaotic distribution decreased much faster. The dependence of the peak shape on the order of reflection, the diffraction geometry, and the epitaxial layer thickness was also examined.

Electronic structure of uranium overlayers on magnesium and aluminium

NASA Astrophysics Data System (ADS)

Gouder, T.

1997-06-01

We studied U overlayers on polycrystalline Mg and Al by X-ray and ultra-violet photoelectron spectroscopies (XPS and UPS, respectively), and compared the mode of growth and the evolution of the electronic structure as a function of coverage. The goal of this work was to detect localization, or at least correlation effects, in U overlayers and U substrate near surface alloys, which were expected to occur because of the reduced U 5f bandwidth in these systems. On Mg, U deposits as a pure overlayer without any interdiffusion, while on Al spontaneous interdiffusion takes place. The U 4f spectra of {U}/{Mg} show only weak correlation satellites. Nevertheless, the asymmetrical shape of the U 4f peak indicates 5f band narrowing. On Al, strong correlation satellites are observed in addition to plasmon loss features. It seems that U-substrate interactions promote correlation effects, while the reduced coordination in overlayers plays a less important role. UPS valence-band (VB) spectra of the two systems look remarkably similar. They do not show any correlation satellites. With decreasing overlayer thickness the 5f peak narrows, which is attributed to 5f band narrowing at the surface.

[XPS analysis of beads formed by fuse breaking of electric copper wire].

PubMed

Wu, Ying; Meng, Qing-Shan; Wang, Xin-Ming; Gao, Wei; Di, Man

2010-05-01

The in-depth composition of beads formed by fuse breaking of the electric copper wire in different circumstances was studied by XPS with Ar+ ion sputtering. In addition, the measured Auger spectra and the calculated Auger parameters were compared for differentiation of the substances of Cu and Cu2O. Corresponding to the sputtering depth, the molten product on a bead induced directly by fuse breaking of the copper wire without cover may be distinguished as three portions: surface layer with a drastic decrease in carbon content; intermediate layer with a gentle change in oxygen content and gradually diminished carbon peak, and consisting of Cu2O; transition layer without Cu2O and with a rapid decrease in oxygen content. While the molten product on a bead formed by fuse breaking of the copper wire after its insulating cover had been burned out may be distinguished as two portions: surface layer with carbon content decreasing quickly; subsurface layer without Cu2O and with carbon and oxygen content decreasing gradually. Thus, it can be seen that there was an obvious interface between the layered surface product and the substrate for the first type of bead, while as to the second type of bead there was no interface. As a result, the presence of Cu2O and the quantitative results can be used to identify the molten product on a bead induced directly by fuse breaking of the copper wire without cover and the molten product on a bead formed by fuse breaking of the cupper wire after its insulating cover had been burned out, as a complementary technique for the judgments of fire cause.

Toward a comprehensive understanding of solid-state core-level XPS linewidths: Experimental and theoretical studies on the Si2p and O1s linewidths in silicates

NASA Astrophysics Data System (ADS)

Bancroft, G. M.; Nesbitt, H. W.; Ho, R.; Shaw, D. M.; Tse, J. S.; Biesinger, M. C.

2009-08-01

High resolution X-ray Photoelectron Spectroscopy (XPS) core-level Si2p and O1s spectra of the nonconductors α-SiO2 (quartz) at 120 and 300 K and vitreous SiO2 at 300 K were obtained with a Kratos Axis Ultra XPS instrument (instrumental resolution of <0.4eV ) which incorporates a unique charge compensation system that minimizes differential charge broadening on nonconductors. The Si2p and O1s linewidths at 300 K ( ˜1.1 and ˜1.2eV , respectively) are similar for all silicates (and similar to previous thin film SiO2 spectra obtained previously), showing that differential charging does not contribute significantly to our spectra. At 120 K, there is a small decrease (0.04 eV) in the Si2p linewidth of α-SiO2 , but no measurable decrease in O1s linewidth. The O1s lines are generally and distinctly asymmetric. We consider all possible sources of line broadening and show that final state vibrational broadening (FSVB) and phonon broadening are the major causes of the broad and asymmetric lines. Previous high resolution gas phase XPS studies have identified large FSVB contributions to the Si2p spectra of SiCl4 , SiF4 , and Si(OCH3)4 molecules, and this vibrational structure leads total Si2p3/2 linewidths of up to ˜0.5eV , even with individual peak linewidths of <0.1eV . The Si atom of Si(OCH3)4 is an excellent analog for Si in crystalline SiO2 because the Si-O bond lengths and symmetric stretch frequencies are similar in both compounds. Similar vibrational contributions to the Si2p and O1s spectra of solid silicates are anticipated if the Si2p and O1s core-hole states produce similar changes to the Si-O bond length in both phases. To investigate the possibility, Car-Parrinello molecular dynamics calculations were performed and show that changes to Si-O bond lengths between ion and ground states (Δr) for both Si2p and O1s hole states are similar for both crystalline SiO2 and gaseous Si(OCH3)4 . Δr are -0.04Å for Si2p and ˜+0.05Å for O1s in both compounds. Indeed, the

XPS investigation of depth profiling induced chemistry

NASA Astrophysics Data System (ADS)

Pratt, Quinn; Skinner, Charles; Koel, Bruce; Chen, Zhu

2017-10-01

Surface analysis is an important tool for understanding plasma-material interactions. Depth profiles are typically generated by etching with a monatomic argon ion beam, however this can induce unintended chemical changes in the sample. Tantalum pentoxide, a sputtering standard, and PEDOT:PSS, a polymer that was used to mimic the response of amorphous carbon-hydrogen co-deposits, were studied. We compare depth profiles generated with monatomic and gas cluster argon ion beams (GCIB) using X-ray photoelectron spectroscopy (XPS) to quantify chemical changes. In both samples, monatomic ion bombardment led to beam-induced chemical changes. Tantalum pentoxide exhibited preferential sputtering of oxygen and the polymer experienced significant bond modification. Depth profiling with clusters is shown to mitigate these effects. We present sputtering rates for Ta2O5 and PEDOT:PSS as a function of incident energy and flux. Support was provided through DOE Contract Number DE-AC02-09CH11466.

Predicting Peak Flows following Forest Fires

NASA Astrophysics Data System (ADS)

Elliot, William J.; Miller, Mary Ellen; Dobre, Mariana

2016-04-01

Following forest fires, peak flows in perennial and ephemeral streams often increase by a factor of 10 or more. This increase in peak flow rate may overwhelm existing downstream structures, such as road culverts, causing serious damage to road fills at stream crossings. In order to predict peak flow rates following wildfires, we have applied two different tools. One is based on the U.S.D.A Natural Resource Conservation Service Curve Number Method (CN), and the other is by applying the Water Erosion Prediction Project (WEPP) to the watershed. In our presentation, we will describe the science behind the two methods, and present the main variables for each model. We will then provide an example of a comparison of the two methods to a fire-prone watershed upstream of the City of Flagstaff, Arizona, USA, where a fire spread model was applied for current fuel loads, and for likely fuel loads following a fuel reduction treatment. When applying the curve number method, determining the time to peak flow can be problematic for low severity fires because the runoff flow paths are both surface and through shallow lateral flow. The WEPP watershed version incorporates shallow lateral flow into stream channels. However, the version of the WEPP model that was used for this study did not have channel routing capabilities, but rather relied on regression relationships to estimate peak flows from individual hillslope polygon peak runoff rates. We found that the two methods gave similar results if applied correctly, with the WEPP predictions somewhat greater than the CN predictions. Later releases of the WEPP model have incorporated alternative methods for routing peak flows that need to be evaluated.

Technique for simulating peak-flow hydrographs in Maryland

USGS Publications Warehouse

Dillow, Jonathan J.A.

1998-01-01

The efficient design and management of many bridges, culverts, embankments, and flood-protection structures may require the estimation of time-of-inundation and (or) storage of floodwater relating to such structures. These estimates can be made on the basis of information derived from the peak-flow hydrograph. Average peak-flow hydrographs corresponding to a peak discharge of specific recurrence interval can be simulated for drainage basins having drainage areas less than 500 square miles in Maryland, using a direct technique of known accuracy. The technique uses dimensionless hydrographs in conjunction with estimates of basin lagtime and instantaneous peak flow. Ordinary least-squares regression analysis was used to develop an equation for estimating basin lagtime in Maryland. Drainage area, main channel slope, forest cover, and impervious area were determined to be the significant explanatory variables necessary to estimate average basin lagtime at the 95-percent confidence interval. Qualitative variables included in the equation adequately correct for geographic bias across the State. The average standard error of prediction associated with the equation is approximated as plus or minus (+/-) 37.6 percent. Volume correction factors may be applied to the basin lagtime on the basis of a comparison between actual and estimated hydrograph volumes prior to hydrograph simulation. Three dimensionless hydrographs were developed and tested using data collected during 278 significant rainfall-runoff events at 81 stream-gaging stations distributed throughout Maryland and Delaware. The data represent a range of drainage area sizes and basin conditions. The technique was verified by applying it to the simulation of 20 peak-flow events and comparing actual and simulated hydrograph widths at 50 and 75 percent of the observed peak-flow levels. The events chosen are considered extreme in that the average recurrence interval of the selected peak flows is 130 years. The average

Dissolution of uranophane: An AFM, XPS, SEM and ICP study

NASA Astrophysics Data System (ADS)

Schindler, Michael; Freund, Michael; Hawthorne, Frank C.; Burns, Peter C.; Maurice, Patricia A.

2009-05-01

Dissolution experiments on single crystals of uranophane and uranophane-β, Ca(H 2O) 5[(UO 2)(SiO 3(OH)] 2, from the Shinkolobwe mine of the Democratic Republic of Congo, were done in an aqueous HCl solution of pH 3.5 for 3 h, in HCl solutions of pH 2 for 5, 10 and 30 min, and in Pb 2+-, Ba-, Sr-, Ca- and Mg-HCl solutions of pH 2 for 30 min. The basal surfaces of the treated uranophane crystals were examined using atomic-force microscopy (AFM), X-ray photoelectron spectroscopy (XPS) and scanning electron microscopy (SEM). Solutions after dissolution experiments on single crystals and synthetic powders were analysed with inductively coupled plasma-optical emission spectroscopy (ICP-OES) and mass spectroscopy (ICP-MS). The morphology of the observed etch pits (measured by AFM) were compared to the morphology, predicted on the basis of the bond-valence deficiency of polyhedron chains along the edges of the basal surface. Etch pits form in HCl solutions of pH 2. Their decrease in depth with the duration of the dissolution experiment is explained with the stepwave dissolution model, which describes the lowering of the surrounding area of an etch pit with continuous waves of steps emanated from the etch pit into the rest of the crystal surface. Hillocks form in an HCl solution of pH 3.5, and the chemical composition of the surface (as indicated by XPS) shows that these hillocks are the result of the precipitation of a uranyl-hydroxy-hydrate phase. Well-orientated hillocks form on the surface of uranophane in a SrCl 2-HCl solution of pH 2. They are part of an aged silica coating of composition Si 2O 2(OH) 4(H 2O) n. An amorphous layer forms on the surface of uranophane in a MgCl 2-HCl solution of pH 2, which has a composition and structure similar to silicic acid. Small crystallites of uranyl-hydroxy-hydrate phases form on the surface of uranophane after treatment in Pb(NO 3) 2-HCl and BaCl 2-HCl solutions of pH 2. Dissolution experiments on synthetic uranophane powders

Consequence of oxidant concentration on XPS properties of chemically synthesized polythiophene thin films

NASA Astrophysics Data System (ADS)

Kamat, Sandip V.; Chhabra, Jasvinder; Patil, V. S.; Yadav, J. B.; Puri, R. K.; Puri, Vijaya

2018-05-01

The polythiophene thin films were prepared by a wellknown chemical bath deposition technique. The deposited thin films were characterized for structural morphological properties and the adhesion of these thin films were measured by direct pull off (DPO) method, the effect of oxidant concentration on these thin films also studied. The FTIR spectra of chemically deposited polythiophene thin films shows the absorption peak at 836 cm-1 which represents c-s stretching vibrations, shifts to 869 cm-1 as the oxidant concentration increases. The band at 666 cm-1 representing c-s-c ring deformation becomes sharper and appears with a shoulder peak due to increase in oxidant concentration.

PeakRanger: A cloud-enabled peak caller for ChIP-seq data

PubMed Central

2011-01-01

Background Chromatin immunoprecipitation (ChIP), coupled with massively parallel short-read sequencing (seq) is used to probe chromatin dynamics. Although there are many algorithms to call peaks from ChIP-seq datasets, most are tuned either to handle punctate sites, such as transcriptional factor binding sites, or broad regions, such as histone modification marks; few can do both. Other algorithms are limited in their configurability, performance on large data sets, and ability to distinguish closely-spaced peaks. Results In this paper, we introduce PeakRanger, a peak caller software package that works equally well on punctate and broad sites, can resolve closely-spaced peaks, has excellent performance, and is easily customized. In addition, PeakRanger can be run in a parallel cloud computing environment to obtain extremely high performance on very large data sets. We present a series of benchmarks to evaluate PeakRanger against 10 other peak callers, and demonstrate the performance of PeakRanger on both real and synthetic data sets. We also present real world usages of PeakRanger, including peak-calling in the modENCODE project. Conclusions Compared to other peak callers tested, PeakRanger offers improved resolution in distinguishing extremely closely-spaced peaks. PeakRanger has above-average spatial accuracy in terms of identifying the precise location of binding events. PeakRanger also has excellent sensitivity and specificity in all benchmarks evaluated. In addition, PeakRanger offers significant improvements in run time when running on a single processor system, and very marked improvements when allowed to take advantage of the MapReduce parallel environment offered by a cloud computing resource. PeakRanger can be downloaded at the official site of modENCODE project: http://www.modencode.org/software/ranger/ PMID:21554709

XPS analysis of PE and EVA samples irradiated at different γ-doses

NASA Astrophysics Data System (ADS)

Dorey, Samuel; Gaston, Fanny; Marque, Sylvain R. A.; Bortolotti, Benjamin; Dupuy, Nathalie

2018-01-01

The principal plastic materials used for the fluid contact and storage in the biopharmaceutical industry are mainly made up of semi-crystalline polymers, polyolefins, PVC, Siloxane and PET. The polyethylene (PE) and the polypropylene (PP) are often used as fluid contact in multi-layer materials like films. As one sterilisation way of single-use plastic devices used in medical and pharmaceutical fields can take place via γ-irradiation, the effect of sterilization on plastics must be investigated. The irradiation process leads to the production of radicals, which can generate changes in the polymer structure and on the polymer surface. It is well known that the presence of oxygen with free radicals precede the generation of peroxide species so called ROS (reactive oxygen species) which are highly reactive. The purpose of this work is to investigate the γ-rays impact on the surface of PE (polyethylene) and EVA (polyethylene vinyl alcohol) based films when ionized at different doses. X-ray Photoelectron Spectroscopy (XPS) was applied to determine the surface compositions of the polymers to highlight the different chemical moieties generated during the γ-irradiation process and to monitor the potential presence of the ROS.

Multi-peak structure of generation spectrum of random distributed feedback fiber Raman lasers.

PubMed

Vatnik, I D; Zlobina, E A; Kablukov, S I; Babin, S A

2017-02-06

We study spectral features of the generation of random distributed feedback fiber Raman laser arising from two-peak shape of the Raman gain spectral profile realized in the germanosilicate fibers. We demonstrate that number of peaks can be calculated using power balance model considering different subcomponents within each Stokes component.

Surface analysis characterisation of gum binders used in modern watercolour paints

NASA Astrophysics Data System (ADS)

Sano, Naoko; Cumpson, Peter J.

2016-02-01

Conducting this study has demonstrated that not only SEM-EDX but also XPS can be an efficient tool for characterising watercolour paint surfaces. We find that surface effects are mediated by water. Once the powdered components in the watercolour come into contact with water they dramatically transform their chemical structures at the surface and show the presence of pigment components with a random dispersion within the gum layer. Hence the topmost surface of the paint is confirmed as being composed of the gum binder components. This result is difficult to confirm using just one analytical technique (either XPS or SEM-EDX). In addition, peak fitting of C1s XPS spectra suggests that the gum binder in the commercial watercolour paints is probably gum arabic (by comparison with the reference materials). This identification is not conclusive, but the combination techniques of XPS and SEM shows the surface structure with material distribution of the gum binder and the other ingredients of the watercolour paints. Therefore as a unique technique, XPS combined with SEM-EDX may prove a useful method in the study of surface structure for not only watercolour objects but also other art objects; which may in future help in the conservation for art.

XPS and Raman studies of Pt catalysts supported on activated carbon

NASA Astrophysics Data System (ADS)

Tyagi, Deepak; Varma, Salil; Bharadwaj, S. R.

2018-04-01

Activated carbon is a widely used support for dispersing noble metals in addition to its many applications. We have prepared platinum catalyst supported on activated carbon for HI decomposition reaction of I-S thermochemical process of hydrogen generation. These catalysts were characterized by XPS and Raman before and after using for the reaction. It was observed that platinum is present in zero oxidation state, while carbon is present is both sp2 and sp3 hybridized forms along with some amount of it bonded to oxygen.

SPANISH PEAKS WILDERNESS STUDY AREA, COLORADO.

USGS Publications Warehouse

Budding, Karin E.; Kluender, Steven E.

1984-01-01

A geologic and geochemical investigation and a survey of mines and prospects were conducted to evaluate the mineral-resource potential of the Spanish Peaks Wilderness Study Area, Huerfano and Las Animas Counties, in south-central Colorado. Anomalous gold, silver, copper, lead, and zinc concentrations in rocks and in stream sediments from drainage basins in the vicinity of the old mines and prospects on West Spanish Peak indicate a substantiated mineral-resource potential for base and precious metals in the area surrounding this peak; however, the mineralized veins are sparse, small in size, and generally low in grade. There is a possibility that coal may underlie the study area, but it would be at great depth and it is unlikely that it would have survived the intense igneous activity in the area. There is little likelihood for the occurrence of oil and gas because of the lack of structural traps and the igneous activity.

Autopiquer - a Robust and Reliable Peak Detection Algorithm for Mass Spectrometry

NASA Astrophysics Data System (ADS)

Kilgour, David P. A.; Hughes, Sam; Kilgour, Samantha L.; Mackay, C. Logan; Palmblad, Magnus; Tran, Bao Quoc; Goo, Young Ah; Ernst, Robert K.; Clarke, David J.; Goodlett, David R.

2017-02-01

We present a simple algorithm for robust and unsupervised peak detection by determining a noise threshold in isotopically resolved mass spectrometry data. Solving this problem will greatly reduce the subjective and time-consuming manual picking of mass spectral peaks and so will prove beneficial in many research applications. The Autopiquer approach uses autocorrelation to test for the presence of (isotopic) structure in overlapping windows across the spectrum. Within each window, a noise threshold is optimized to remove the most unstructured data, whilst keeping as much of the (isotopic) structure as possible. This algorithm has been successfully demonstrated for both peak detection and spectral compression on data from many different classes of mass spectrometer and for different sample types, and this approach should also be extendible to other types of data that contain regularly spaced discrete peaks.

Autopiquer - a Robust and Reliable Peak Detection Algorithm for Mass Spectrometry.

PubMed

Kilgour, David P A; Hughes, Sam; Kilgour, Samantha L; Mackay, C Logan; Palmblad, Magnus; Tran, Bao Quoc; Goo, Young Ah; Ernst, Robert K; Clarke, David J; Goodlett, David R

2017-02-01

We present a simple algorithm for robust and unsupervised peak detection by determining a noise threshold in isotopically resolved mass spectrometry data. Solving this problem will greatly reduce the subjective and time-consuming manual picking of mass spectral peaks and so will prove beneficial in many research applications. The Autopiquer approach uses autocorrelation to test for the presence of (isotopic) structure in overlapping windows across the spectrum. Within each window, a noise threshold is optimized to remove the most unstructured data, whilst keeping as much of the (isotopic) structure as possible. This algorithm has been successfully demonstrated for both peak detection and spectral compression on data from many different classes of mass spectrometer and for different sample types, and this approach should also be extendible to other types of data that contain regularly spaced discrete peaks. Graphical Abstract ᅟ.

Peak picking NMR spectral data using non-negative matrix factorization.

PubMed

Tikole, Suhas; Jaravine, Victor; Rogov, Vladimir; Dötsch, Volker; Güntert, Peter

2014-02-11

Simple peak-picking algorithms, such as those based on lineshape fitting, perform well when peaks are completely resolved in multidimensional NMR spectra, but often produce wrong intensities and frequencies for overlapping peak clusters. For example, NOESY-type spectra have considerable overlaps leading to significant peak-picking intensity errors, which can result in erroneous structural restraints. Precise frequencies are critical for unambiguous resonance assignments. To alleviate this problem, a more sophisticated peaks decomposition algorithm, based on non-negative matrix factorization (NMF), was developed. We produce peak shapes from Fourier-transformed NMR spectra. Apart from its main goal of deriving components from spectra and producing peak lists automatically, the NMF approach can also be applied if the positions of some peaks are known a priori, e.g. from consistently referenced spectral dimensions of other experiments. Application of the NMF algorithm to a three-dimensional peak list of the 23 kDa bi-domain section of the RcsD protein (RcsD-ABL-HPt, residues 688-890) as well as to synthetic HSQC data shows that peaks can be picked accurately also in spectral regions with strong overlap.

Peak picking NMR spectral data using non-negative matrix factorization

PubMed Central

2014-01-01

Background Simple peak-picking algorithms, such as those based on lineshape fitting, perform well when peaks are completely resolved in multidimensional NMR spectra, but often produce wrong intensities and frequencies for overlapping peak clusters. For example, NOESY-type spectra have considerable overlaps leading to significant peak-picking intensity errors, which can result in erroneous structural restraints. Precise frequencies are critical for unambiguous resonance assignments. Results To alleviate this problem, a more sophisticated peaks decomposition algorithm, based on non-negative matrix factorization (NMF), was developed. We produce peak shapes from Fourier-transformed NMR spectra. Apart from its main goal of deriving components from spectra and producing peak lists automatically, the NMF approach can also be applied if the positions of some peaks are known a priori, e.g. from consistently referenced spectral dimensions of other experiments. Conclusions Application of the NMF algorithm to a three-dimensional peak list of the 23 kDa bi-domain section of the RcsD protein (RcsD-ABL-HPt, residues 688-890) as well as to synthetic HSQC data shows that peaks can be picked accurately also in spectral regions with strong overlap. PMID:24511909

Study and development of 22 kW peak power fiber coupled short pulse Nd:YAG laser for cleaning applications

NASA Astrophysics Data System (ADS)

Choubey, Ambar; Vishwakarma, S. C.; Vachhani, D. M.; Singh, Ravindra; Misra, Pushkar; Jain, R. K.; Arya, R.; Upadhyaya, B. N.; Oak, S. M.

2014-11-01

Free running short pulse Nd:YAG laser of microsecond pulse duration and high peak power has a unique capability to ablate material from the surface without heat propagation into the bulk. Applications of short pulse Nd:YAG lasers include cleaning and restoration of marble, stones, and a variety of metals for conservation. A study on the development of high peak power short pulses from Nd:YAG laser along with its cleaning and conservation applications has been performed. A pulse energy of 1.25 J with 55 μs pulse duration and a maximum peak power of 22 kW has been achieved. Laser beam has an M2 value of ~28 and a pulse-to-pulse stability of ±2.5%. A lower value of M2 means a better beam quality of the laser in multimode operation. A top hat spatial profile of the laser beam was achieved at the exit end of 200 μm core diameter optical fiber, which is desirable for uniform cleaning. This laser system has been evaluated for efficient cleaning of surface contaminations on marble, zircaloy, and inconel materials for conservation with cleaning efficiency as high as 98%. Laser's cleaning quality and efficiency have been analysed by using a microscope, a scanning electron microscope (SEM), and X-ray photon spectroscopy (XPS) measurements.

A Chemical View on X-ray Photoelectron Spectroscopy: the ESCA Molecule and Surface-to-Bulk XPS Shifts.

PubMed

Delesma, Francisco A; Van den Bossche, Maxime; Grönbeck, Henrik; Calaminici, Patrizia; Köster, Andreas M; Pettersson, Lars G M

2018-01-19

In this paper we remind the reader of a simple, intuitive picture of chemical shifts in X-ray photoelectron spectroscopy (XPS) as the difference in chemical bonding between the probed atom and its neighbor to the right in the periodic table, the so called Z+1 approximation. We use the classical ESCA molecule, ethyl trifluoroacetate, and 4d-transition metals to explicitly demonstrate agreement between core-level shifts computed as differences between final core-hole states and the approach where each core-ionized atom is replaced by a Z+1 atom. In this final state, or total energy picture, the XPS shift arises due to the more or less unfavorable chemical bonding of the effective nitrogen in the carbon geometry for the ESCA molecule. Surface core level shifts in metals are determined by whether the Z+1 atom as an alloy segregates to the surface or is more soluble in the bulk. As further illustration of this more chemical picture, we compare the geometry of C 1s and O 1s core-ionized CO with that of, respectively, NO + and CF + . The scope is not to propose a new method to compute XPS shifts but rather to stress the validity of this simple interpretation. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

WaVPeak: picking NMR peaks through wavelet-based smoothing and volume-based filtering.

PubMed

Liu, Zhi; Abbas, Ahmed; Jing, Bing-Yi; Gao, Xin

2012-04-01

Nuclear magnetic resonance (NMR) has been widely used as a powerful tool to determine the 3D structures of proteins in vivo. However, the post-spectra processing stage of NMR structure determination usually involves a tremendous amount of time and expert knowledge, which includes peak picking, chemical shift assignment and structure calculation steps. Detecting accurate peaks from the NMR spectra is a prerequisite for all following steps, and thus remains a key problem in automatic NMR structure determination. We introduce WaVPeak, a fully automatic peak detection method. WaVPeak first smoothes the given NMR spectrum by wavelets. The peaks are then identified as the local maxima. The false positive peaks are filtered out efficiently by considering the volume of the peaks. WaVPeak has two major advantages over the state-of-the-art peak-picking methods. First, through wavelet-based smoothing, WaVPeak does not eliminate any data point in the spectra. Therefore, WaVPeak is able to detect weak peaks that are embedded in the noise level. NMR spectroscopists need the most help isolating these weak peaks. Second, WaVPeak estimates the volume of the peaks to filter the false positives. This is more reliable than intensity-based filters that are widely used in existing methods. We evaluate the performance of WaVPeak on the benchmark set proposed by PICKY (Alipanahi et al., 2009), one of the most accurate methods in the literature. The dataset comprises 32 2D and 3D spectra from eight different proteins. Experimental results demonstrate that WaVPeak achieves an average of 96%, 91%, 88%, 76% and 85% recall on (15)N-HSQC, HNCO, HNCA, HNCACB and CBCA(CO)NH, respectively. When the same number of peaks are considered, WaVPeak significantly outperforms PICKY. WaVPeak is an open source program. The source code and two test spectra of WaVPeak are available at http://faculty.kaust.edu.sa/sites/xingao/Pages/Publications.aspx. The online server is under construction. statliuzhi

WaVPeak: picking NMR peaks through wavelet-based smoothing and volume-based filtering

PubMed Central

Liu, Zhi; Abbas, Ahmed; Jing, Bing-Yi; Gao, Xin

2012-01-01

Motivation: Nuclear magnetic resonance (NMR) has been widely used as a powerful tool to determine the 3D structures of proteins in vivo. However, the post-spectra processing stage of NMR structure determination usually involves a tremendous amount of time and expert knowledge, which includes peak picking, chemical shift assignment and structure calculation steps. Detecting accurate peaks from the NMR spectra is a prerequisite for all following steps, and thus remains a key problem in automatic NMR structure determination. Results: We introduce WaVPeak, a fully automatic peak detection method. WaVPeak first smoothes the given NMR spectrum by wavelets. The peaks are then identified as the local maxima. The false positive peaks are filtered out efficiently by considering the volume of the peaks. WaVPeak has two major advantages over the state-of-the-art peak-picking methods. First, through wavelet-based smoothing, WaVPeak does not eliminate any data point in the spectra. Therefore, WaVPeak is able to detect weak peaks that are embedded in the noise level. NMR spectroscopists need the most help isolating these weak peaks. Second, WaVPeak estimates the volume of the peaks to filter the false positives. This is more reliable than intensity-based filters that are widely used in existing methods. We evaluate the performance of WaVPeak on the benchmark set proposed by PICKY (Alipanahi et al., 2009), one of the most accurate methods in the literature. The dataset comprises 32 2D and 3D spectra from eight different proteins. Experimental results demonstrate that WaVPeak achieves an average of 96%, 91%, 88%, 76% and 85% recall on 15N-HSQC, HNCO, HNCA, HNCACB and CBCA(CO)NH, respectively. When the same number of peaks are considered, WaVPeak significantly outperforms PICKY. Availability: WaVPeak is an open source program. The source code and two test spectra of WaVPeak are available at http://faculty.kaust.edu.sa/sites/xingao/Pages/Publications.aspx. The online server is under

The Correspondence between Convergence Peaks from Weak Lensing and Massive Dark Matter Haloes

NASA Astrophysics Data System (ADS)

Wei, Chengliang; Li, Guoliang; Kang, Xi; Liu, Xiangkun; Fan, Zuhui; Yuan, Shuo; Pan, Chuzhong

2018-05-01

The convergence peaks, constructed from galaxy shape measurement in weak lensing, is a powerful probe of cosmology as the peaks can be connected with the underlined dark matter haloes. However the capability of convergence peak statistic is affected by the noise in galaxy shape measurement, signal to noise ratio as well as the contribution from the projected mass distribution from the large-scale structures along the line of sight (LOS). In this paper we use the ray-tracing simulation on a curved sky to investigate the correspondence between the convergence peak and the dark matter haloes at the LOS. We find that, in case of no noise and for source galaxies at zs = 1, more than 65% peaks with SNR ≥ 3 (signal to noise ratio) are related to more than one massive haloes with mass larger than 1013M⊙. Those massive haloes contribute 87.2% to high peaks (SNR ≥ 5) with the remaining contributions are from the large-scale structures. On the other hand, the peaks distribution is skewed by the noise in galaxy shape measurement, especially for lower SNR peaks. In the noisy field where the shape noise is modelled as a Gaussian distribution, about 60% high peaks (SNR ≥ 5) are true peaks and the fraction decreases to 20% for lower peaks (3 ≤ SNR < 5). Furthermore, we find that high peaks (SNR ≥ 5) are dominated by very massive haloes larger than 1014M⊙.

Reduction of chemical formulas from the isotopic peak distributions of high-resolution mass spectra.

PubMed

Roussis, Stilianos G; Proulx, Richard

2003-03-15

A method has been developed for the reduction of the chemical formulas of compounds in complex mixtures from the isotopic peak distributions of high-resolution mass spectra. The method is based on the principle that the observed isotopic peak distribution of a mixture of compounds is a linear combination of the isotopic peak distributions of the individual compounds in the mixture. All possible chemical formulas that meet specific criteria (e.g., type and number of atoms in structure, limits of unsaturation, etc.) are enumerated, and theoretical isotopic peak distributions are generated for each formula. The relative amount of each formula is obtained from the accurately measured isotopic peak distribution and the calculated isotopic peak distributions of all candidate formulas. The formulas of compounds in simple spectra, where peak components are fully resolved, are rapidly determined by direct comparison of the calculated and experimental isotopic peak distributions. The singular value decomposition linear algebra method is used to determine the contributions of compounds in complex spectra containing unresolved peak components. The principles of the approach and typical application examples are presented. The method is most useful for the characterization of complex spectra containing partially resolved peaks and structures with multiisotopic elements.

Interfacial chemical and electronic structure of cobalt deposition on 2,7-dioctyl[1]benzothieno[3,2-b]benzothiophene (C8-BTBT)

NASA Astrophysics Data System (ADS)

Zhu, Menglong; Lyu, Lu; Niu, Dongmei; Zhang, Hong; Zhang, Yuhe; Liu, Peng; Gao, Yongli

2017-04-01

Interfacial chemical and electronic structure of Co deposition on 2,7-dioctyl[1]benzothieno[3,2-b]benzothiophene(C8-BTBT) was investigated by ultraviolet photoemission spectroscopy (UPS) and X-ray photoemission spectroscopy (XPS). Chemical reaction of cobalt with C8-BTBT at the interface is confirmed by a new component of S 2s peak which is electron-rich compared to the original one of C8-BTBT molecules. Intensity evolution of the core level in XPS indicates that the adsorption of Co atoms is mainly at the surface without deeper diffusion into C8-BTBT layer. Initial deposition of Co atoms downward shifts the core levels of C8-BTBT by electron transfer from isolated Co atoms or clusters to the C8-BTBT. Further deposition of Co upward shifts the core levels of C8-BTBT because of the neutralization of the thicker metal Co film. Our investigation suggests an inert buffer layer inserted to protect organic layer from reaction or decomposition and to lower the carrier barriers for both the electron and hole to improve the performance of Co/C8-BTBT-based OFETs.

Charge ordering and scattering pre-peaks in ionic liquids and alcohols.

PubMed

Perera, Aurélien

2017-01-04

The structural properties of ionic liquids and alcohols are viewed under the charge ordering process as a common basis to explain the peculiarity of their radiation scattering properties, namely the presence, or absence, of a scattering pre-peak. Through the analysis of models, it is shown that the presence, or absence, of a radiation scattering pre-peak is principally related to the symmetry breaking, or not, of the global charge order, induced by the peculiarities of the molecular shapes. This symmetry breaking is achieved, in practice, by the emergence of specific types of clusters, which manifests how the global charge order has changed into a local form. Various atom-atom correlations witness the symmetry breaking induced by this re organization, and this is manifested into a pre-peak in the structure factor. This approach explains why associated liquids such as water do not show a scattering pre-peak. It also explains under which conditions core-soft models can mimic associating liquids.

XPS investigation of the photon degradation of Znq2 green organic phosphor

NASA Astrophysics Data System (ADS)

Duvenhage, Mart-Mari; Terblans, Jacobus J.; Ntwaeaborwa, Martin; Swart, Hendrik C.

2016-01-01

By substituting Al with Zn to form bis-(8-hydroxyquinoline) zinc (Znq2), the device performance of organic light emitting diodes (OLED) can be improved. Znq2 also has a more closed packed crystal structure that makes it less vulnerable to reactions with atmospheric oxygen and moisture leading to more stable and longer lasting devices. In this work the effect of photon degradation of Znq2 in air was investigated. Znq2 powder was synthesized using a co-precipitation method and recrystallized in acetone. The structure of the sample was confirmed to be Znq2·2H2O by X-ray diffraction. The photoluminescence (PL) emission data also confirmed that the Znq2·2H2O crystal form of Znq2 was present. To study the photon degradation, the sample was irradiated with a UV lamp for 400 h. The emission data was collected and the change in PL intensity with time was monitored. X-ray photoelectron spectroscopy was performed on the as prepared and photon-degraded samples. The Zn2p and N1s peaks showed no change after degradation. The O1s and C1s peaks confirmed that the phenoxide ring ruptured and that C=O and C-O species had formed.

Localised and delocalised optically induced conversion of composite glow peak 5 in LiF:Mg,Ti (TLD-100) to glow peak 4 as a function of postirradiation annealing temperature.

PubMed

Horowitz, Y S; Einav, Y; Biderman, S; Oster, L

2002-01-01

The composite structure of glow peak 5 in LiF:Mg,Ti (TLD-100) has been investigated using optical bleaching by 310 nm (4 eV) light. The glow peak conversion efficiency of peak 5a (Tm = 187 degrees C) to peak 4 traps is very high at a value of 3+/-0.5 (1 SD) whereas the glow peak conversion efficiency of peak 5 (Tm = 205 degrees C) to peak 4 traps is 0.0026+/-0.0012 (1 SD). The high conversion efficiency of peak 5a to peak 4 arises from direct optical ionisation of the electron in the electron-hole pair. leaving behind a singly-trapped hole (peak 4), a direct mechanism, relatively free of competitive mechanisms. Optical ionisation of the 'singly-trapped' electron (peak 5), however, can lead to peak 4 only via multi-stage mechanisms involving charge carrier transport in the valence and conduction bands, a mechanism subject to competitive processes. The conduction/valence band competitive processes lead to the factor of one thousand decrease in the conversion efficiency of peak 5 compared to peak 5a.

Characterizing the Peak in the Cosmic Microwave Background Angular Power Spectrum

NASA Astrophysics Data System (ADS)

Knox, Lloyd; Page, Lyman

2000-08-01

A peak has been unambiguously detected in the cosmic microwave background angular spectrum. Here we characterize its properties with fits to phenomenological models. We find that the TOCO and BOOM/NA data determine the peak location to be in the range 175-243 and 151-259, respectively (at 95% confidence) and determine the peak amplitude to be between ~70 and 90 μK. The peak shape is consistent with inflation-inspired flat, cold dark matter plus cosmological constant models of structure formation with adiabatic, nearly scale invariant initial conditions. It is inconsistent with open models and presents a great challenge to defect models.

The double peaks and symmetric path phenomena in the catalytic activity of Pd/Al2O3-TiO2 catalysts with different TiO2 contents

NASA Astrophysics Data System (ADS)

Zhang, Shen; Guo, Yuyu; Li, Xingying; Wu, Xu; Li, Zhe

2018-06-01

Physicochemical properties of Pd/Al2O3-TiO2 catalysts with different amounts of TiO2 contents were investigated by XRD, nitrogen adsorption-desorption, FTIR, NH3-TPD, H2-TPR and XPS techniques. Catalysts of different compositions were tested in the ethanol oxidation reaction to study the effects of TiO2 contents. Double peaks and symmetric path phenomena were observed at certain temperatures with the increase in TiO2 contents. The symmetric peak phenomena and the diverse activity fluctuations have been ascribed to the controlling factors such as temperature and compositions. With the increase in TiO2 content, the surface area, adsorbed oxygen contents and surface acid quantity decreased gradually. The large surface area and adsorbed oxygen contents were conducive to the performance, while increased acid amounts were not beneficial for ethanol oxidation. At 150 and 175 °C, Pd/AT(X1

Quantifying the Impact of Nanoparticle Coatings and Non-uniformities on XPS Analysis: Gold/silver Core-shell Nanoparticles

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

Wang, Yung-Chen Andrew; Engelhard, Mark H.; Baer, Donald R.

2016-03-07

Abstract or short description: Spectral modeling of photoelectrons can serve as a valuable tool when combined with X-ray photoelectron spectroscopy (XPS) analysis. Herein, a new version of the NIST Simulation of Electron Spectra for Surface Analysis (SESSA 2.0) software, capable of directly simulating spherical multilayer NPs, was applied to model citrate stabilized Au/Ag-core/shell nanoparticles (NPs). The NPs were characterized using XPS and scanning transmission electron microscopy (STEM) to determine the composition and morphology of the NPs. The Au/Ag-core/shell NPs were observed to be polydispersed in size, non-circular, and contain off-centered Au-cores. Using the average NP dimensions determined from STEM analysis,more » SESSA spectral modeling indicated that washed Au/Ag-core shell NPs were stabilized with a 0.8 nm l« less

Modulation in magnetic exchange interaction, core shell structure and Hopkinson's peak with chromium substitution into Ni0.75Co0.25Fe2O4 nano particles

NASA Astrophysics Data System (ADS)

Uday Bhasker, S.; Choudary, G. S. V. R. K.; Reddy, M. V. Ramana

2018-05-01

The ever growing applications and ever evolving challenges of magnetic nano particles has been motivating the researchers from various disciplines towards this area of magnetic nano particles. Cation substitutional effect on the magnetic structure of the nanoparticles forms a crucial aspect in their applications. Here the environmentally benign auto combustion method was employed to synthesize chromium substituted nickel cobalt ferrite (Ni0.75Co0.25Fe2-xCrxO4; x = 0, 0.10, 0.15) nano particles, from aqueous metal nitrate solutions. Chromium substitution has shown its effect on the structural, magnetic and electrical properties of Ni0.75Co0.25Fe2O4. Structural and phase analysis of the prepared samples show increased phase purity of ferrite sample with increasing Cr substitution. The TEM (Transmission Electron Microscope) image confirms the nano size of the particles, EDS (Energy dispersive X-ray Spectroscopy) has supported the stoichiometry of the prepared samples and FTIR (Fourier-transform infrared spectroscopic) analysis confirms the spinel structure and also suggests cation redistributions with chromium substitution. VSM (Vibrational Sample Magnetometer) is used to study the magnetic properties through magnetic hysteresis (M-H) loop and magnetic Hopkinson effect. All samples show hysteresis and show reduction in magnetic properties with increase in chromium content. The thermo magnetic study shows Hopkinson peak(s) in the magnetization vs. temperature (M-T) graph and also shows variation in the nature of Hopkinson peak with chromium substitution. Possible reasons for the changes in the nature of the peak are discussed.

China's "Exported Carbon" Peak: Patterns, Drivers, and Implications

NASA Astrophysics Data System (ADS)

Mi, Zhifu; Meng, Jing; Green, Fergus; Coffman, D'Maris; Guan, Dabo

2018-05-01

Over the past decade, China has entered a "new normal" phase in economic development, with its role in global trade flows changing significantly. This study estimates the driving forces of Chinese export-embodied carbon emissions in the new normal phase, based on environmentally extended multiregional input-output modeling and structural decomposition analysis. We find that Chinese export-embodied CO2 emissions peaked in 2008 at a level of 1,657 million tones. The subsequent decline in CO2 emissions was mainly due to the changing structure of Chinese production. The peak in Chinese export-embodied emissions is encouraging from the perspective of global climate change mitigation, as it implies downward pressure on global CO2 emissions. However, more attention should focus on ensuring that countries that may partly replace China as major production bases increase their exports using low-carbon inputs.

Understanding Human Motion Skill with Peak Timing Synergy

NASA Astrophysics Data System (ADS)

Ueno, Ken; Furukawa, Koichi

The careful observation of motion phenomena is important in understanding the skillful human motion. However, this is a difficult task due to the complexities in timing when dealing with the skilful control of anatomical structures. To investigate the dexterity of human motion, we decided to concentrate on timing with respect to motion, and we have proposed a method to extract the peak timing synergy from multivariate motion data. The peak timing synergy is defined as a frequent ordered graph with time stamps, which has nodes consisting of turning points in motion waveforms. A proposed algorithm, PRESTO automatically extracts the peak timing synergy. PRESTO comprises the following 3 processes: (1) detecting peak sequences with polygonal approximation; (2) generating peak-event sequences; and (3) finding frequent peak-event sequences using a sequential pattern mining method, generalized sequential patterns (GSP). Here, we measured right arm motion during the task of cello bowing and prepared a data set of the right shoulder and arm motion. We successfully extracted the peak timing synergy on cello bowing data set using the PRESTO algorithm, which consisted of common skills among cellists and personal skill differences. To evaluate the sequential pattern mining algorithm GSP in PRESTO, we compared the peak timing synergy by using GSP algorithm and the one by using filtering by reciprocal voting (FRV) algorithm as a non time-series method. We found that the support is 95 - 100% in GSP, while 83 - 96% in FRV and that the results by GSP are better than the one by FRV in the reproducibility of human motion. Therefore we show that sequential pattern mining approach is more effective to extract the peak timing synergy than non-time series analysis approach.

XPS study of ruthenium tris-bipyridine electrografted from diazonium salt derivative on microcrystalline boron doped diamond.

PubMed

Agnès, Charles; Arnault, Jean-Charles; Omnès, Franck; Jousselme, Bruno; Billon, Martial; Bidan, Gérard; Mailley, Pascal

2009-12-28

Boron doped diamond (BDD) functionalization has received an increasing interest during the last few years. Such an infatuation comes from the original properties of BDD, including chemical stability or an electrochemical window, that opens the way for the design of (bio)sensors or smart interfaces. In such a context, diazonium salts appear to be well suited for BDD functionalization as they enable covalent immobilization of functional entities such as enzymes or DNA. In this study we report microcrystalline BDD functionalization with a metallic complex, ruthenium tris(bipyridine), using the p-(tris(bipyridine)Ru(2+))phenyl diazonium salt. Electrografting using cyclic voltammetry (CV) allowed the formation of a ruthenium complex film that was finely characterized using electrochemistry and X-ray photoelectron spectroscopy (XPS). Moreover, we showed that chronopotentiometry (CP) is a convenient tool to monitor Ru complex film deposition through the control of the electrochemical pulse parameters (i.e. current density and pulse duration). Finally, such a control was demonstrated through the correlation between electrochemical and XPS characterizations.

Local Fine Structural Insight into Mechanism of Electrochemical Passivation of Titanium.

PubMed

Wang, Lu; Yu, Hongying; Wang, Ke; Xu, Haisong; Wang, Shaoyang; Sun, Dongbai

2016-07-20

Electrochemically formed passive film on titanium in 1.0 M H2SO4 solution and its thickness, composition, chemical state, and local fine structure are examined by Auger electron spectroscopy (AES), X-ray photoelectron spectroscopy (XPS), and X-ray absorption fine structure. AES analysis reveals that the thickness and composition of oxide film are proportional to the reciprocal of current density in potentiodynamic polarization. XPS depth profiles of the chemical states of titanium exhibit the coexistence of various valences cations in the surface. Quantitative X-ray absorption near edge structure analysis of the local electronic structure of the topmost surface (∼5.0 nm) shows that the ratio of [TiO2]/[Ti2O3] is consistent with that of passivation/dissolution of electrochemical activity. Theoretical calculation and analysis of extended X-ray absorption fine structure spectra at Ti K-edge indicate that both the structures of passivation and dissolution are distorted caused by the appearance of two different sites of Ti-O and Ti-Ti. And the bound water in the topmost surface plays a vital role in structural disorder confirmed by XPS. Overall, the increase of average Ti-O coordination causes the electrochemical passivation, and the dissolution is due to the decrease of average Ti-Ti coordination. The structural variations of passivation in coordination number and interatomic distance are in good agreement with the prediction of point defect model.

Automatic peak selection by a Benjamini-Hochberg-based algorithm.

PubMed

Abbas, Ahmed; Kong, Xin-Bing; Liu, Zhi; Jing, Bing-Yi; Gao, Xin

2013-01-01

A common issue in bioinformatics is that computational methods often generate a large number of predictions sorted according to certain confidence scores. A key problem is then determining how many predictions must be selected to include most of the true predictions while maintaining reasonably high precision. In nuclear magnetic resonance (NMR)-based protein structure determination, for instance, computational peak picking methods are becoming more and more common, although expert-knowledge remains the method of choice to determine how many peaks among thousands of candidate peaks should be taken into consideration to capture the true peaks. Here, we propose a Benjamini-Hochberg (B-H)-based approach that automatically selects the number of peaks. We formulate the peak selection problem as a multiple testing problem. Given a candidate peak list sorted by either volumes or intensities, we first convert the peaks into [Formula: see text]-values and then apply the B-H-based algorithm to automatically select the number of peaks. The proposed approach is tested on the state-of-the-art peak picking methods, including WaVPeak [1] and PICKY [2]. Compared with the traditional fixed number-based approach, our approach returns significantly more true peaks. For instance, by combining WaVPeak or PICKY with the proposed method, the missing peak rates are on average reduced by 20% and 26%, respectively, in a benchmark set of 32 spectra extracted from eight proteins. The consensus of the B-H-selected peaks from both WaVPeak and PICKY achieves 88% recall and 83% precision, which significantly outperforms each individual method and the consensus method without using the B-H algorithm. The proposed method can be used as a standard procedure for any peak picking method and straightforwardly applied to some other prediction selection problems in bioinformatics. The source code, documentation and example data of the proposed method is available at http://sfb.kaust.edu.sa/pages/software.aspx.

Automatic Peak Selection by a Benjamini-Hochberg-Based Algorithm

PubMed Central

Abbas, Ahmed; Kong, Xin-Bing; Liu, Zhi; Jing, Bing-Yi; Gao, Xin

2013-01-01

A common issue in bioinformatics is that computational methods often generate a large number of predictions sorted according to certain confidence scores. A key problem is then determining how many predictions must be selected to include most of the true predictions while maintaining reasonably high precision. In nuclear magnetic resonance (NMR)-based protein structure determination, for instance, computational peak picking methods are becoming more and more common, although expert-knowledge remains the method of choice to determine how many peaks among thousands of candidate peaks should be taken into consideration to capture the true peaks. Here, we propose a Benjamini-Hochberg (B-H)-based approach that automatically selects the number of peaks. We formulate the peak selection problem as a multiple testing problem. Given a candidate peak list sorted by either volumes or intensities, we first convert the peaks into -values and then apply the B-H-based algorithm to automatically select the number of peaks. The proposed approach is tested on the state-of-the-art peak picking methods, including WaVPeak [1] and PICKY [2]. Compared with the traditional fixed number-based approach, our approach returns significantly more true peaks. For instance, by combining WaVPeak or PICKY with the proposed method, the missing peak rates are on average reduced by 20% and 26%, respectively, in a benchmark set of 32 spectra extracted from eight proteins. The consensus of the B-H-selected peaks from both WaVPeak and PICKY achieves 88% recall and 83% precision, which significantly outperforms each individual method and the consensus method without using the B-H algorithm. The proposed method can be used as a standard procedure for any peak picking method and straightforwardly applied to some other prediction selection problems in bioinformatics. The source code, documentation and example data of the proposed method is available at http://sfb.kaust.edu.sa/pages/software.aspx. PMID

Arsenopyrite and pyrite bioleaching: evidence from XPS, XRD and ICP techniques.

PubMed

Fantauzzi, Marzia; Licheri, Cristina; Atzei, Davide; Loi, Giovanni; Elsener, Bernhard; Rossi, Giovanni; Rossi, Antonella

2011-10-01

In this work, a multi-technical bulk and surface analytical approach was used to investigate the bioleaching of a pyrite and arsenopyrite flotation concentrate with a mixed microflora mainly consisting of Acidithiobacillus ferrooxidans. X-ray diffraction, X-ray photoelectron spectroscopy (XPS) and X-ray-induced Auger electron spectroscopy mineral surfaces investigations, along with inductively coupled plasma-atomic emission spectroscopy and carbon, hydrogen, nitrogen and sulphur determination (CHNS) analyses, were carried out prior and after bioleaching. The flotation concentrate was a mixture of pyrite (FeS(2)) and arsenopyrite (FeAsS); after bioleaching, 95% of the initial content of pyrite and 85% of arsenopyrite were dissolved. The chemical state of the main elements (Fe, As and S) at the surface of the bioreactor feed particles and of the residue after bioleaching was investigated by X-ray photoelectron and X-ray excited Auger electron spectroscopy. After bioleaching, no signals of iron, arsenic and sulphur originating from pyrite and arsenopyrite were detected, confirming a strong oxidation and the dissolution of the particles. On the surfaces of the mineral residue particles, elemental sulphur as reaction intermediate of the leaching process and precipitated secondary phases (Fe-OOH and jarosite), together with adsorbed arsenates, was detected. Evidence of microbial cells adhesion at mineral surfaces was also produced: carbon and nitrogen were revealed by CHNS, and nitrogen was also detected on the bioleached surfaces by XPS. This was attributed to the deposition, on the mineral surfaces, of the remnants of a bio-film consisting of an extra-cellular polymer layer that had favoured the bacterial action. © Springer-Verlag 2011

Characterizing the peak in the cosmic microwave background angular power spectrum

PubMed

Knox; Page

2000-08-14

A peak has been unambiguously detected in the cosmic microwave background angular spectrum. Here we characterize its properties with fits to phenomenological models. We find that the TOCO and BOOM/NA data determine the peak location to be in the range 175-243 and 151-259, respectively (at 95% confidence) and determine the peak amplitude to be between approximately 70 and 90 &mgr;K. The peak shape is consistent with inflation-inspired flat, cold dark matter plus cosmological constant models of structure formation with adiabatic, nearly scale invariant initial conditions. It is inconsistent with open models and presents a great challenge to defect models.

The composite structure of peak 5 in the glow curve of LiF:Mg,Ti (TLD-100): confirmation of peak 5a arising from a locally trapped electron-hole configuration.

PubMed

Horowitz, Y S; Oster, L; Satinger, D; Biderman, S; Einav, Y

2002-01-01

The hypothesis that glow peak 5a arises from localised e-h capture is confirmed by the following experimental observations: (i) The high conversion efficiency (CE) (CE5a-->4 = 3 +/- 0.5) of peak 5a to peak 4 (a hole-only trap) deduced from detailed Im-Tstop optical bleaching studies at 310 nm compared to the much lower CE of peak 5 (an electron-only trap) (CE5-->4 = 0.0026+/-0.012). (ii) The lack of an increase in the sensitivity of glow peak 5a following 2.6 MeV and 6.8 MeV He ion irradiation in 'sensitised' material compared to the factor two increase in the sensitivity of peak 5; (S/S0)5a = 0.86+/-0.12, compared to (S/S0)5 = 2.0+/-0.2. (iii) The late entry into saturation of the 2.6 MeV and 6.8 MeV He ion TL-fluence response curves for peak 5a compared to peak 5 in sensitised and normal material resulting in the following values for the track radial saturation parameter: (r50)5a = 100+/-20) Angstroms compared to (r50)5 = 380+/-30 Angstroms. (iv) The low value of 0.1 for the 'track-escape' parameter of peak 5a deduced from the Extended Track Interaction Model analysis of He ion TL fluence response compared to order of magnitude greater values for peaks 5 and 5b.

The adsorption of methyl iodide on uranium and uranium dioxide: Surface characterization using X-ray photoelectron spectroscopy (XPS) and Auger electron spectroscopy (AES)

NASA Astrophysics Data System (ADS)

Dillard, J. G.; Moers, H.; Klewe-Nebenius, H.; Kirch, G.; Pfennig, G.; Ache, H. J.

1984-09-01

The adsorption of methyl iodide on uranium and on uranium dioxide has been studied at 25 °C. Surfaces of the substrates were characterized before and after adsorption by X-ray photoelectron spectroscopy (XPS) and Auger electron spectroscopy (AES). The XPS binding energy results indicate that CH 3I adsorption on uranium yields a carbide-type carbon, UC, and uranium iodide, UI 3. On uranium dioxide the carbon electron binding energy measurements are consistent with the formation of a hydrocarbon, —CH 3-type moiety. The interpretation of XPS and AES spectral features for CH 3I adsorption on uranium suggest that a complex dissociative adsorption reaction takes place. Adsorption of CH 3I on UO 2 occurs via a dissociative process. Saturation coverage occurs on uranium at approximately two langmuir (1 L = 10 -6 Torr s) exposure whereas saturation coverage on uranium dioxide is found at about five langmuir.

Extremely High Peak Power Obtained at 29 GHZ Microwave Pulse Generation

NASA Astrophysics Data System (ADS)

Rostov, V. V.; Gunin, A. V.; Romanchenko, I. V.; Pedos, M. S.; Rukin, S. N.; Sharypov, K. A.; Shunailov, S. A.; Ul'maskulov, M. R.; Yalandin, M. I.

2017-12-01

The paper presents research results on enhancing the peak power of microwave pulses with sub- and nanosecond length using a backward-wave oscillator (BWO) operating at 29 GHz frequency and possessing a reproducible phase structure. Experiments are conducted in two modes on a high-current electron accelerator with the required electron beam power. In the first (superradiation) mode, which utilizes the elongated slow-wave structure, the BWO peak power is 3 GW at 180 ns pulse duration (full width at halfmaximum, FWHM). In the second (quasi-stationary) mode, the BWO peak power reaches 600 MW at 2 ns pulse duration (FWHM). The phase spread from pulse to pulse can vary from units to several tens of percent in a nanosecond pulse mode. The experiments do not show any influence of microwave breakdown on the BWO power generation and radiation pulse duration.

Single-layer ZnS supported on Au(111): A combined XPS, LEED, STM and DFT study

DOE PAGES

Deng, Xingyi; Sorescu, Dan C.; Lee, Junseok

2016-12-31

Single-layer of ZnS, consisting of one atomic layer of ZnS(111) plane, has been grown on Au(111) and characterized using X-ray photoelectron spectroscopy (XPS), low energy electron diffraction (LEED) and scanning tunneling microscopy (STM). While the LEED measurement indicates a coincidence structure of ZnS-(3×3)/Au(111)-(4×4), high resolution STM images reveal hexagonal unit cells of 6.7×6.7 Å 2 and 11.6×11.6 Å 2, corresponding to √3 and 3 times the unit cell of the ideal zincblende ZnS-(1×1), respectively, depending on the tunneling conditions. Calculations based on density functional theory (DFT) indicate a significantly reconstructed non-planar structure of ZnS single-layer on Au(111) with 2/3 ofmore » the S anions being located nearly in the plane of the Zn cations and the rest 1/3 of the S anions protruding above the Zn plane. In conclusion, the calculated STM image shows similar characteristics to those of the experimental STM image. Additionally, the DFT calculations reveal the different bonding nature of the S anions in ZnS single-layer supported on Au(111).« less

Electronic structure of LiGaS 2

NASA Astrophysics Data System (ADS)

Atuchin, V. V.; Isaenko, L. I.; Kesler, V. G.; Lobanov, S.; Huang, H.; Lin, Z. S.

2009-04-01

X-ray photoelectron spectroscopy (XPS) measurement has been performed to determine the valence band structure of LiGaS 2 crystals. The experimental measurement is compared with the electronic structure obtained from the density functional calculations. It is found that the Ga 3d states in the XPS spectrum are much higher than the calculated results. In order to eliminate this discrepancy, the LDA+ U method is employed and reasonable agreement is achieved. Further calculations show that the difference of the linear and nonlinear optical coefficients between LDA and LDA+ U calculations is negligibly small, indicating that the Ga 3d states are actually independent of the excited properties of LiGaS 2 crystals since they are located at a very deep position in the valence bands.

Structural and photocatalytic studies of hydrothermally synthesized Mn2+-TiO2 nanoparticles under UV and visible light irradiation

NASA Astrophysics Data System (ADS)

Kamble, Ravi; Sabale, Sandip; Chikode, Prashant; Puri, Vijaya; Mahajan, Smita

2016-11-01

Pure TiO2 and Mn2+-TiO2 nanoparticles have been prepared by simple hydrothermal method with different Mn2+ concentrations. Obtained samples were analysed to determine it’s structural, optical, morphological and compositional properties using x-ray diffraction, UV-DRS, Raman, photoluminescence, XPS, TEM and EDS analysis. The EDS micrograph confirms the existence of Mn2+ atoms in TiO2 matrix with 0.86, 1.60 and 1.90 wt%. The crystallite size as well as band gap decreases with increase in Mn2+ concentration. The average particle size obtained from TEM was found 8-11 nm which is in good agreement with XRD results. Raman bands at 640, 518 and 398 cm-1 further confirmed pure phase anatase in all samples. XPS shows the proper substitutions of few sites of Ti4+ ions by Mn2+ ions in the TiO2 host lattice. The intensity of PL spectra for Mn2+-TiO2 shows a gradual decrease in the peak intensity with increasing Mn2+ concentration in TiO2, it implies lower electron-hole recombination rate as Mn2+ ions increases. The obtained samples were further studied for its photocatalytic activities using malachite green dye under UV light and visible light.

The green hydrothermal synthesis of nanostructured Cu2ZnSnSe4 as solar cell material and study of their structural, optical and morphological properties

NASA Astrophysics Data System (ADS)

Vanalakar, S. A.; Agawane, G. L.; Kamble, A. S.; Patil, P. S.; Kim, J. H.

2017-12-01

Cu2ZnSnSe4 (CZTSe) has attracted intensive attention as an absorber material for the thin-film solar cells due to its high absorption coefficient, direct band gap, low toxicity, and abundance of its constituent elements. In this study nanostructured CZTSe nanoparticles are prepared via green hydrothermal synthesis without using toxic solvents, organic amines, catalysts or noxious chemicals. The structural, optical, and morphological properties of CZTSe nanostructured powder were studied using X-ray diffraction (XRD), Raman spectroscopy, X-ray photoelectron spectroscopy (XPS), UV-vis absorption spectroscopy, and transmission electron microscope (TEM) techniques. Raman peaks at 170, 195, and 232 cm-1 confirm the formation of pure phase CZTSe nanostructured particles. In addition, the EDS and XPS results confirm the appropriate chemical purity of the annealed CZTSe nanoparticles. Meanwhile, the TEM analysis showed the presence of phase pure oval like CZTSe particle with size of about 80-140 nm. The UV-Vis-NIR absorption spectra analysis showed that the optical band gap of CZTSe nanostructured particles is about 1.14 eV. This band gap energy is close to the optimum value of a photovoltaic solar cell absorber material.

X-ray Photoelectron Spectroscopy study of CaV1-xMoxO3-δ

NASA Astrophysics Data System (ADS)

Belyakov, S. A.; Kuznetsov, M. V.; Shkerin, S. N.

2018-06-01

An investigation was carried out on perovskite-based derivatives of CaV1-xMoxO3-δ using X-ray Photoelectron Spectroscopy (XPS). According to the XRD pattern, the area of homogeneity covers the region from x = 0 to x = 0.6. Wide XPS-peaks of Ca, V, Mo and O are observed, signalling that elements are presented in multiple states. A model for explaining the large chemical shifts of XPS peaks due to different charging effects on different parts of the sample surface is proposed.

Evaluation of the surface properties of PTFE foam coating filter media using XPS and contact angle measurements

NASA Astrophysics Data System (ADS)

Park, Byung Hyun; Lee, Myong-Hwa; Kim, Sang Bum; Jo, Young Min

2011-02-01

A newly developed PTFE foam coating filter was developed which can be used for hot gas cleaning at temperatures up to 250 °C. The emulsion-type PTFE was coated onto a woven glass fiber using a foam coating method. The filter surface was closely examined using X-ray photoelectron spectroscopy (XPS) and contact angle measurements. The XPS results were used to determine the binding force between the carbon and fluorine of PTFE, which imparts coating stability to the filter medium. More than 95% of the bonds of the PTFE foam coating filter were between carbon and fluorine, and this filter demonstrated excellent hydrophobic and good oleophobic properties at the same time. The contact angles of liquid droplets on the filter surface were used to predict the potential wetability of the filter against water or oil. In addition, the very low surface free energy of the filter medium, which was evaluated using the Owens-Wendt method, demonstrates a very stable surface and a high de-dusting quality.

A quantitative model and the experimental evaluation of the liquid fuel layer for the downward flame spread of XPS foam.

PubMed

Luo, Shengfeng; Xie, Qiyuan; Tang, Xinyi; Qiu, Rong; Yang, Yun

2017-05-05

The objective of this work is to investigate the distinctive mechanisms of downward flame spread for XPS foam. It was physically considered as a moving down of narrow pool fire instead of downward surface flame spread for normal solids. A method was developed to quantitatively analyze the accumulated liquid fuel based on the experimental measurement of locations of flame tips and burning rates. The results surprisingly showed that about 80% of the generated hot liquid fuel remained in the pool fire during a certain period. Most of the consumed solid XPS foam didn't really burn away but transformed as the liquid fuel in the downward moving pool fire, which might be an important promotion for the fast fire development. The results also indicated that the dripping propensity of the hot liquid fuel depends on the total amount of the hot liquid accumulated in the pool fire. The leading point of the flame front curve might be the breach of the accumulated hot liquid fuel if it is enough for dripping. Finally, it is suggested that horizontal noncombustible barriers for preventing the accumulation and dripping of liquid fuel are helpful for vertical confining of XPS fire. Copyright © 2017 Elsevier B.V. All rights reserved.

Multi-peak electromagnetically induced transparency (EIT)-like transmission from bull's-eye-shaped metamaterial.

PubMed

Kim, Jaeyoun; Soref, Richard; Buchwald, Walter R

2010-08-16

We investigate the electromagnetic response of the concentric multi-ring, or the bull's eye, structure as an extension of the dual-ring metamaterial which exhibits electromagnetically-induced transparency (EIT)-like transmission characteristics. Our results show that adding inner rings produces additional EIT-like peaks, and widens the metamaterial's spectral range of operation. Analyses of the dispersion characteristics and induced current distribution further confirmed the peak's EIT-like nature. Impacts of structural and dielectric parameters are also investigated.

A XPS Study of the Passivity of Stainless Steels Influenced by Sulfate-Reducing Bacteria.

NASA Astrophysics Data System (ADS)

Chen, Guocun

The influence of sulfate-reducing bacteria (SRB) on the passivity of type 304 and 317L stainless steels (SS) was investigated by x-ray photoelectron spectroscopy (XPS), microbiological and electrochemical techniques. Samples were exposed to SRB, and then the resultant surfaces were analyzed by XPS, and the corrosion resistance by potentiodynamic polarization in deaerated 0.1 M HCl. To further understand their passivity, the SRB-exposed samples were analyzed by XPS after potentiostatic polarization at a passive potential in the hydrochloric solution. The characterization was performed under two surface conditions: unrinsed and rinsed by deaerated alcohol and deionized water. Comparisons were made with control samples immersed in uninoculated medium. SRB caused a severe loss of the passivity of 304 SS through sulfide formation and possible additional activation to form hexavalent chromium. The sulfides included FeS, FeS_2, Cr_2S _3, NiS and possibly Fe_ {rm 1-x}S. The interaction took place nonuniformly, resulting in undercutting of the passive film and preferential hydration of inner surface layers. The bacterial activation of the Cr^{6+ }^ecies was magnified by subsequent potentiostatic polarization. In contrast, 317L SS exhibited a limited passivity. The sulfides were formed mainly in the outer layers. Although Cr^{6+}^ecies were observed after the exposure, they were dissolved upon polarization. Since 317L SS has a higher Mo content, its higher passivity was ascribed to Mo existing as molybdate on the surface and Mo^{5+} species in the biofilm. Consequently, the interaction of SRB with Mo was studied. It was observed that molybdate could be retained on the surfaces of Mo coupons by corrosion products. In the presence of SRB, however, a considerable portion of the molybdate interacted with intermediate sulfur -containing proteins, forming Mo(V)-S complexes and reducing bacterial growth and sulfate reduction. The limited insolubility of the Mo(V)-S complexes in 0

Amorphous chalcogenides as random octahedrally bonded solids: I. Implications for the first sharp diffraction peak, photodarkening, and Boson peak

NASA Astrophysics Data System (ADS)

Lukyanov, Alexey; Lubchenko, Vassiliy

2017-09-01

We develop a computationally efficient algorithm for generating high-quality structures for amorphous materials exhibiting distorted octahedral coordination. The computationally costly step of equilibrating the simulated melt is relegated to a much more efficient procedure, viz., generation of a random close-packed structure, which is subsequently used to generate parent structures for octahedrally bonded amorphous solids. The sites of the so-obtained lattice are populated by atoms and vacancies according to the desired stoichiometry while allowing one to control the number of homo-nuclear and hetero-nuclear bonds and, hence, effects of the mixing entropy. The resulting parent structure is geometrically optimized using quantum-chemical force fields; by varying the extent of geometric optimization of the parent structure, one can partially control the degree of octahedrality in local coordination and the strength of secondary bonding. The present methodology is applied to the archetypal chalcogenide alloys AsxSe1-x. We find that local coordination in these alloys interpolates between octahedral and tetrahedral bonding but in a non-obvious way; it exhibits bonding motifs that are not characteristic of either extreme. We consistently recover the first sharp diffraction peak (FSDP) in our structures and argue that the corresponding mid-range order stems from the charge density wave formed by regions housing covalent and weak, secondary interactions. The number of secondary interactions is determined by a delicate interplay between octahedrality and tetrahedrality in the covalent bonding; many of these interactions are homonuclear. The present results are consistent with the experimentally observed dependence of the FSDP on arsenic content, pressure, and temperature and its correlation with photodarkening and the Boson peak. They also suggest that the position of the FSDP can be used to infer the effective particle size relevant for the configurational equilibration in

Peak tree: a new tool for multiscale hierarchical representation and peak detection of mass spectrometry data.

PubMed

Zhang, Peng; Li, Houqiang; Wang, Honghui; Wong, Stephen T C; Zhou, Xiaobo

2011-01-01

Peak detection is one of the most important steps in mass spectrometry (MS) analysis. However, the detection result is greatly affected by severe spectrum variations. Unfortunately, most current peak detection methods are neither flexible enough to revise false detection results nor robust enough to resist spectrum variations. To improve flexibility, we introduce peak tree to represent the peak information in MS spectra. Each tree node is a peak judgment on a range of scales, and each tree decomposition, as a set of nodes, is a candidate peak detection result. To improve robustness, we combine peak detection and common peak alignment into a closed-loop framework, which finds the optimal decomposition via both peak intensity and common peak information. The common peak information is derived and loopily refined from the density clustering of the latest peak detection result. Finally, we present an improved ant colony optimization biomarker selection method to build a whole MS analysis system. Experiment shows that our peak detection method can better resist spectrum variations and provide higher sensitivity and lower false detection rates than conventional methods. The benefits from our peak-tree-based system for MS disease analysis are also proved on real SELDI data.

Correlated peak relative light intensity and peak current in triggered lightning subsequent return strokes

NASA Technical Reports Server (NTRS)

Idone, V. P.; Orville, R. E.

1985-01-01

The correlation between peak relative light intensity L(R) and stroke peak current I(R) is examined for 39 subsequent return strokes in two triggered lightning flashes. One flash contained 19 strokes and the other 20 strokes for which direct measurements were available of the return stroke peak current at ground. Peak currents ranged from 1.6 to 21 kA. The measurements of peak relative light intensity were obtained from photographic streak recordings using calibrated film and microsecond resolution. Correlations, significant at better than the 0.1 percent level, were found for several functional relationships. Although a relation between L(R) and I(R) is evident in these data, none of the analytical relations considered is clearly favored. The correlation between L(R) and the maximum rate of current rise is also examined, but less correlation than between L(R) and I(R) is found. In addition, the peak relative intensity near ground is evaluated for 22 dart leaders, and a mean ratio of peak dart leader to peak return stroke relative light intensity was found to be 0.1 with a range of 0.02-0.23. Using two different methods, the peak current near ground in these dart leaders is estimated to range from 0.1 to 6 kA.

A Multicenter Randomized Noninferiority Trial Comparing GreenLight-XPS Laser Vaporization of the Prostate and Transurethral Resection of the Prostate for the Treatment of Benign Prostatic Obstruction: Two-yr Outcomes of the GOLIATH Study.

PubMed

Thomas, James A; Tubaro, Andrea; Barber, Neil; d'Ancona, Frank; Muir, Gordon; Witzsch, Ulrich; Grimm, Marc-Oliver; Benejam, Joan; Stolzenburg, Jens-Uwe; Riddick, Antony; Pahernik, Sascha; Roelink, Herman; Ameye, Filip; Saussine, Christian; Bruyère, Franck; Loidl, Wolfgang; Larner, Tim; Gogoi, Nirjan-Kumar; Hindley, Richard; Muschter, Rolf; Thorpe, Andrew; Shrotri, Nitin; Graham, Stuart; Hamann, Moritz; Miller, Kurt; Schostak, Martin; Capitán, Carlos; Knispel, Helmut; Bachmann, Alexander

2016-01-01

The GOLIATH study is a 2-yr trial comparing transurethral resection of prostate (TURP) to photoselective vaporization with the GreenLight XPS Laser System (GL-XPS) for the treatment of benign prostatic obstruction (BPO). Noninferiority of GL-XPS to TURP was demonstrated based on a 6-mo follow-up from the study. To determine whether treatment effects observed at 6 mo between GL-XPS and TURP was maintained at the 2-yr follow-up. Prospective randomized controlled trial at 29 centers in nine European countries involving 281 patients with BPO. Photoselective vaporization using the 180-W GreenLight GL-XPS or conventional (monopolar or bipolar) TURP. The primary outcome was the International Prostate Symptom Score for which a margin of three was used to evaluate the noninferiority of GL-XPS. Secondary outcomes included Qmax, prostate volume, prostate specific antigen, Overactive Bladder Questionnaire Short Form, International Consultation on Incontinence Questionnaire Short Form, occurrence of surgical retreatment, and freedom from complications. One hundred and thirty-six patients were treated using GL-XPS and 133 using TURP. Noninferiority of GL-XPS on International Prostate Symptom Score, Qmax, and freedom from complications was demonstrated at 6-mo and was sustained at 2-yr. The proportion of patients complication-free through 24-mo was 83.6% GL-XPS versus 78.9% TURP. Reductions in prostate volume and prostate specific antigen were similar in both arms and sustained over the course of the trial. Compared with the 1(st) yr of the study, very few adverse events or retreatments were reported in either arm. Treatment differences in the Overactive Bladder Questionnaire Short Form observed at 12-mo were not statistically significant at 24-mo. A limitation was that patients and treating physicians were not blinded to the therapy. Twenty-four-mo follow-up data demonstrated that GL-XPS provides a durable surgical option for the treatment of BPO that exhibits efficacy and

Potassium-doped n-type bilayer graphene

NASA Astrophysics Data System (ADS)

Yamada, Takatoshi; Okigawa, Yuki; Hasegawa, Masataka

2018-01-01

Potassium-doped n-type bilayer graphene was obtained. Chemical vapor deposited bilayer and single layer graphene on copper (Cu) foils were used. After etching of Cu foils, graphene was dipped in potassium hydroxide aqueous solutions to dope potassium. Graphene on silicon oxide was characterized by X-ray photoelectron spectroscopy (XPS), energy dispersive X-ray spectroscopy (EDX), and Raman spectroscopy. Both XPS and EDX spectra indicated potassium incorporation into the bilayer graphene via intercalation between the graphene sheets. The downward shift of the 2D peak position of bilayer graphene after the potassium hydroxide (KOH) treatment was confirmed in Raman spectra, indicating that the KOH-treated bilayer graphene was doped with electrons. Electrical properties were measured using Hall bar structures. The Dirac points of bilayer graphene were shifted from positive to negative by the KOH treatment, indicating that the KOH-treated bilayer graphene was n-type conduction. For single layer graphene after the KOH treatment, although electron doping was confirmed from Raman spectra, the peak of potassium in the X-ray photoelectron spectroscopy (XPS) spectrum was not detected. The Dirac points of single layer graphene with and without the KOH treatment showed positive.

Pikes Peak, Colorado

USGS Publications Warehouse

Brunstein, Craig; Quesenberry, Carol; Davis, John; Jackson, Gene; Scott, Glenn R.; D'Erchia, Terry D.; Swibas, Ed; Carter, Lorna; McKinney, Kevin; Cole, Jim

2006-01-01

For 200 years, Pikes Peak has been a symbol of America's Western Frontier--a beacon that drew prospectors during the great 1859-60 Gold Rush to the 'Pikes Peak country,' the scenic destination for hundreds of thousands of visitors each year, and an enduring source of pride for cities in the region, the State of Colorado, and the Nation. November 2006 marks the 200th anniversary of the Zebulon M. Pike expedition's first sighting of what has become one of the world's most famous mountains--Pikes Peak. In the decades following that sighting, Pikes Peak became symbolic of America's Western Frontier, embodying the spirit of Native Americans, early explorers, trappers, and traders who traversed the vast uncharted wilderness of the Western Great Plains and the Southern Rocky Mountains. High-quality printed paper copies of this poster are available at no cost from Information Services, U.S. Geological Survey (1-888-ASK-USGS).

Phenomenological study of the ionisation density-dependence of TLD-100 peak 5a.

PubMed

Brandan, Maria-Ester; Angeles, Oscar; Mercado-Uribe, Hilda

2006-01-01

Horowitz and collaborators have reported evidence on the structure of TLD-100 peak 5. A satellite peak, called 5a, has been singled out as arising from localised electron-hole recombination in a trap/luminescent centre, its emission mechanism would be geminate recombination and, therefore, its population would depend on incident radiation ionisation density. We report a phenomenological study of peak 4, 5a and 5 strengths for glow curves previously measured at UNAM for gammas, electrons and low-energy ions. The deconvolution procedure has followed strict rules to assure that the glow curve, where the presence of peak 5a is not visually noticeable, is decomposed in a consistent fashion, maintaining fixed widths and relative temperature difference between all the peaks. We find no improvement in the quality of the fit after inclusion of peak 5a. The relative contribution of peak 5a with respect to peak 5 does not seem to correlate with the radiation linear energy transfer.

XPS Investigation on Changes in UO 2 Speciation following Exposure to Humidity

DOE PAGES

Donald, Scott B.; Davisson, M. Lee; Nelson, Art J.

2016-04-27

High purity UO 2powder samples were subjected to accelerated aging under controlled conditions with relative humidity ranging from 34% to 98%. Characterization of the chemical speciation of the products was accomplished using X-ray photoelectron spectroscopy (XPS). A shift to higher uranium oxidation states was found to be directly correlated to increased relative humidity exposure. In addition, the relative abundance of O 2-, OH -, and H 2O was found to vary with exposure time. Therefore, it is expected that uranium oxide materials exposed to high relative humidity conditions during processing and storage would display a similar increase in average uraniummore » valence.« less

Peak Experience Project

ERIC Educational Resources Information Center

Scott, Daniel G.; Evans, Jessica

2010-01-01

This paper emerges from the continued analysis of data collected in a series of international studies concerning Childhood Peak Experiences (CPEs) based on developments in understanding peak experiences in Maslow's hierarchy of needs initiated by Dr Edward Hoffman. Bridging from the series of studies, Canadian researchers explore collected…

Interplay of superconductivity and bosonic coupling in the peak-dip-hump structure of Bi2Sr2CaCu2O8 +δ

NASA Astrophysics Data System (ADS)

Miller, Tristan L.; Zhang, Wentao; Ma, Jonathan; Eisaki, Hiroshi; Moore, Joel E.; Lanzara, Alessandra

2018-04-01

Because of the important role of electron-boson interactions in conventional superconductivity, it has long been asked whether any similar mechanism is at play in high-temperature cuprate superconductors. Evidence for strong electron-boson coupling is observed in cuprates with angle-resolved photoemission spectroscopy (ARPES), in the form of a dispersion kink and peak-dip-hump structure. What is missing is evidence of a causal relation to superconductivity. Here we revisit the problem using the technique of time-resolved ARPES on Bi2Sr2CaCu2O8 +δ . We focus on the peak-dip-hump structure, and show that laser pulses shift spectral weight into the dip as superconductivity is destroyed on picosecond time scales. We compare our results to simulations of Eliashberg theory in a superconductor with an Einstein boson, and find that the magnitude of the shift in spectral weight depends on the degree to which the bosonic mode contributes to superconductivity. Further study could address one of the longstanding mysteries of high-temperature superconductivity.

Integration of neutron time-of-flight single-crystal Bragg peaks in reciprocal space

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

Schultz, Arthur J; Joergensen, Mads; Wang, Xiaoping

2014-01-01

The intensity of single crystal Bragg peaks obtained by mapping neutron time-of-flight event data into reciprocal space and integrating in various ways are compared. These include spherical integration with a fixed radius, ellipsoid fitting and integrating of the peak intensity and one-dimensional peak profile fitting. In comparison to intensities obtained by integrating in real detector histogram space, the data integrated in reciprocal space results in better agreement factors and more accurate atomic parameters. Furthermore, structure refinement using integrated intensities from one-dimensional profile fitting is demonstrated to be more accurate than simple peak-minus-background integration.

The statistics of peaks of Gaussian random fields. [cosmological density fluctuations

NASA Technical Reports Server (NTRS)

Bardeen, J. M.; Bond, J. R.; Kaiser, N.; Szalay, A. S.

1986-01-01

A set of new mathematical results on the theory of Gaussian random fields is presented, and the application of such calculations in cosmology to treat questions of structure formation from small-amplitude initial density fluctuations is addressed. The point process equation is discussed, giving the general formula for the average number density of peaks. The problem of the proper conditional probability constraints appropriate to maxima are examined using a one-dimensional illustration. The average density of maxima of a general three-dimensional Gaussian field is calculated as a function of heights of the maxima, and the average density of 'upcrossing' points on density contour surfaces is computed. The number density of peaks subject to the constraint that the large-scale density field be fixed is determined and used to discuss the segregation of high peaks from the underlying mass distribution. The machinery to calculate n-point peak-peak correlation functions is determined, as are the shapes of the profiles about maxima.

The formation and structure of mechano-synthesized nanocrystalline Sr{sub 3}Fe{sub 2}O{sub 6.4}: XRD Rietveld, Mössabuer and XPS analyses

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

Al-Rawas, A.D., E-mail: arawas@squ.edu.om; Widatallah, H.M.; Al-Harthi, S.H.

2015-05-15

Highlights: • The formation of mechano-synthesized nanocrystalline Sr{sub 3}Fe{sub 2}O{sub 7−δ} is investigated. • Pre-milling the reactants substantially lowers the formation temperature. • The core and surface structures were studied. • XRD and {sup 57}Fe Mössbauer spectroscopic analyses indicate the δ-value to be 0.60. • XPS shows a complex surface structure for the mechanosynthesized Sr{sub 3}Fe{sub 2}O{sub 7−δ} nanoparticles. - Abstract: The influence of ball milling and subsequent sintering of a 3:1 molar mixture of SrCO{sub 3} and α-Fe{sub 2}O{sub 3} on the formation of Sr{sub 3}Fe{sub 2}O{sub 7−δ} double perovskite is investigated with different analytical techniques. Milling the mixturemore » for 110 h leads to the formation of SrCO{sub 3}-α-Fe{sub 2}O{sub 3} nanocomposites and the structural deformation of α-Fe{sub 2}O{sub 3} via the incorporation of Sr{sup 2+} ions. Subsequent sintering of the pre-milled reactants’ mixture has led to the partial formation of an SrFeO{sub 3} perovskite-related phase in the temperature range 400–600 °C. This was followed by the progressive development of an Sr{sub 3}Fe{sub 2}O{sub 7−δ} phase that continued to increase with increasing sintering temperature until a single-phased nanocrystalline Sr{sub 3}Fe{sub 2}O{sub 7−δ} phase was attained at 950 °C (12 h). This temperature is ∼350 °C lower than the temperature at which the material is prepared conventionally using the ceramic method. The evolution of different structural phases during the reaction process is discussed. Rietveld refinement of the X-ray diffraction data shows a value of 0.60 for the oxygen deficiency δ, in consistency with the Fe{sup 3+}/Fe{sup 4+} ratio derived from the {sup 57}Fe Mössbauer data recorded at both 300 K and 78 K. The Mössbauer data suggests that the Sr{sub 3}Fe{sub 2}O{sub 6.4} nanoparticles are superparamagnetic with blocking temperatures below 78 K. The surfaces of the Sr{sub 3}Fe{sub 2}O{sub 6

Effects of electrical conductivity of substrate materials on microstructure of diamond-like carbon films prepared by bipolar-type plasma based ion implantation

NASA Astrophysics Data System (ADS)

Nakao, S.; Sonoda, T.

2013-03-01

Diamond-like carbon (DLC) films are prepared by a bipolar-type plasma based ion implantation, and the structural differences between DLC films deposited on different electrical conductive substrates, i.e., conductive Si wafers and insulating glass plates are examined by Raman spectroscopy and x-ray photo emission spectroscopy (XPS). In the Raman measurements, graphite (G) and disorder (D) peaks are observed for both samples. However, the additional photo luminescence is overlapped on the spectra in the case of on-glass sample. To elucidate the structural difference, the intensity ratio of D to G peak (I(D)/I(G)), G peak position and full width at half maximum (FWHM) are obtained by curve fitting using Gaussian function and linear baseline. It is found that the I(D)/I(G) is lower, G peak position is higher and FWHM of G peak is narrower for on-glass sample than for on-Si sample. According to Robertson [1], lower I(D)/I(G) seems more sp3 C-C bonding in amount for on-glass sample. In contrast, higher G peak position and narrower FWHM of G peak suggest less sp3 C-C bonding in amount for on-glass sample. The results of XPS analysis with C1s spectra reveal that sp3 ratio, i.e., the intensity ratio of sp3/(sp3+sp2) is smaller for on-glass sample than for on-Si sample. The inconsistency of the trend between I(D)/I(G) and other parameters (G peak position and FWHM of G peak) might be caused by the overlap of photo luminescence signal on Raman spectrum as to on-glass sample. From these results, it is considered that sp3 C-C bonding is reduced in amount when using insulating substrate in comparison with conductive substrate.

XPS and NRA investigations during the fabrication of gold nanostructured functionalized screen-printed sensors for the detection of metallic pollutants

NASA Astrophysics Data System (ADS)

Jasmin, Jean-Philippe; Miserque, Frédéric; Dumas, Eddy; Vickridge, Ian; Ganem, Jean-Jacques; Cannizzo, Caroline; Chaussé, Annie

2017-03-01

An all covalent nanostructured lead sensor was built by the successive grafting of gold nanoparticles and carboxylic ligands at the surface of self-adhesive carbon screen-printed electrodes (SPEs). Surface analysis techniques were used in each step in order to investigate the structuration of this sensor. The self-adhesive surfaces were made from the electrochemical grafting of p-phenylenediamine at the surface of the SPEs via diazonium salts chemistry. The quantity of grafted aniline functions, estimated by Nuclear Reaction Analysis (NRA) performed with p-phenylenediamine labelled with 15N isotope, is in agreement with an almost complete coverage of the electrode surface. The subsequent diazotization of the aniline functions at the surface of the SPEs was performed; X-ray Photoelectron Spectroscopy (XPS) allowed us to consider a quantitative conversion of the aniline functions into diazonium moieties. The spontaneous grafting of gold nanoparticles on the as-obtained reactive surfaces ensures the nanostructuration of the material, and XPS studies showed that the covalent bonding of the gold nanoparticles at the surface of the SPEs induces a change both in the Au-4f (gold nanoparticles) and Cl-2p (carbon ink) core level signals. These unusual observations are explained by an interaction between the carbon ink constituting the substrate and the gold nanoparticles. Heavy and toxic metals are considered of major environmental concern because of their non-biodegradability. In a final step, the grafting of the carboxylic ligands at the surface of the SPEs and an accumulation step in the presence of lead(II) cations allowed us to evidence the interest of nanostructured materials as metallic pollutants sensors.

XPS-XRF hybrid metrology enabling FDSOI process

NASA Astrophysics Data System (ADS)

Hossain, Mainul; Subramanian, Ganesh; Triyoso, Dina; Wahl, Jeremy; Mcardle, Timothy; Vaid, Alok; Bello, A. F.; Lee, Wei Ti; Klare, Mark; Kwan, Michael; Pois, Heath; Wang, Ying; Larson, Tom

2016-03-01

Planar fully-depleted silicon-on-insulator (FDSOI) technology potentially offers comparable transistor performance as FinFETs. pFET FDOSI devices are based on a silicon germanium (cSiGe) layer on top of a buried oxide (BOX). Ndoped interfacial layer (IL), high-k (HfO2) layer and the metal gate stacks are then successively built on top of the SiGe layer. In-line metrology is critical in precisely monitoring the thickness and composition of the gate stack and associated underlying layers in order to achieve desired process control. However, any single in-line metrology technique is insufficient to obtain the thickness of IL, high-k, cSiGe layers in addition to Ge% and N-dose in one single measurement. A hybrid approach is therefore needed that combines the capabilities of more than one measurement technique to extract multiple parameters in a given film stack. This paper will discuss the approaches, challenges, and results associated with the first-in-industry implementation of XPS-XRF hybrid metrology for simultaneous detection of high-k thickness, IL thickness, N-dose, cSiGe thickness and %Ge, all in one signal measurement on a FDSOI substrate in a manufacturing fab. Strong correlation to electrical data for one or more of these measured parameters will also be presented, establishing the reliability of this technique.

Sorption of Eu(III) on attapulgite studied by batch, XPS, and EXAFS techniques.

PubMed

Fan, Q H; Tan, X L; Li, J X; Wang, X K; Wu, W S; Montavon, G

2009-08-01

The effects of pH, ionic strength, and temperature on sorption of Eu(III) on attapulgite were investigated in the presence and absence of fulvic acid (FA) and humic acid (HA). The results indicated that the sorption of Eu(III) on attapulgite was strongly dependent on pH and ionic strength, and independent of temperature. In the presence of FA/HA, Eu(III) sorption was enhanced at pH < 4, decreased at pH range of 4-6, and then increased again at pH > 7. The X-ray photoelectron spectroscopy (XPS) analysis suggested that the sorption of Eu(III) might be expressed as is identical to X3Eu0, is identical to S(w)OHEu3+, and is identical to SOEu-OOC-/HA in the ternary Eu/HN/attapulgite system. The extended X-ray absorption fine structure (EXAFS) analysis of Eu-HA complexes indicated that the distances of d(Eu-O) decreased from 2.415 to 2.360 angstroms with increasing pH from 1.76 to 9.50, whereas the coordination number (N) decreased from approximately 9.94 to approximately 8.56. Different complexation species were also found for the different addition sequences of HA and Eu(III) to attapulgite suspension. The results are important to understand the influence of humic substances on Eu(III) behavior in the natural environment.

Peak high-frequency HRV and peak alpha frequency higher in PTSD.

PubMed

Wahbeh, Helané; Oken, Barry S

2013-03-01

Posttraumatic stress disorder (PTSD) is difficult to treat and current PTSD treatments are not effective for all people. Despite limited evidence for its efficacy, some clinicians have implemented biofeedback for PTSD treatment. As a first step in constructing an effective biofeedback treatment program, we assessed respiration, electroencephalography (EEG) and heart rate variability (HRV) as potential biofeedback parameters for a future clinical trial. This cross-sectional study included 86 veterans; 59 with and 27 without PTSD. Data were collected on EEG measures, HRV, and respiration rate during an attentive resting state. Measures were analyzed to assess sensitivity to PTSD status and the relationship to PTSD symptoms. Peak alpha frequency was higher in the PTSD group (F(1,84) = 6.14, p = 0.01). Peak high-frequency HRV was lower in the PTSD group (F(2,78) = 26.5, p < 0.00005) when adjusting for respiration rate. All other EEG and HRV measures and respiration were not different between groups. Peak high-frequency HRV and peak alpha frequency are sensitive to PTSD status and may be potential biofeedback parameters for future PTSD clinical trials.

The latitudinal gradient of the NO peak density

NASA Technical Reports Server (NTRS)

Fesen, C. G.; Rusch, D. W.; Gerard, J.-C.

1990-01-01

Results are presented from SME observations of the latitudinal gradients of peak NO densities at about 110-km altitude during the solstice and equinox periods from 1982 through 1985. It is shown that the response of the peak NO densities to the declining level of solar activity varies with latitude, with the polar regions exhibiting low sensitivity and the low-latitude regions responding strongly. The SME data also revealed marked asymmetries in the latitudinal structure of the two hemispheres for each season and considerable day-to-day variations in the NO densities. The solar cycle minimum data for June were simulated using a two-dimensional model; results of sensitivity studies performed with varied quenching rate and eddy diffusion coefficient are presented.

CO dissociation and CO hydrogenation on smooth and ion-bombarded Pd(1 1 1): SFG and XPS spectroscopy at mbar pressures

NASA Astrophysics Data System (ADS)

Rupprechter, G.; Kaichev, V. V.; Unterhalt, H.; Morkel, M.; Bukhtiyarov, V. I.

2004-07-01

The CO dissociation probability on transition metals is often invoked to explain the product distribution (selectivity) of catalytic CO hydrogenation. Along these lines, we have investigated CO adsorption and dissociation on smooth and ion-bombarded Pd(1 1 1) at pressures up to 1 mbar using vibrational sum frequency generation (SFG) and X-ray photoelectron spectroscopy (XPS). Under high pressure, CO adsorbate structures were observed that were identical to high-coverage structures in UHV. On ion-bombarded surfaces an additional species was detected which was attributed to CO bridge bonded to defect (low-coordinated) sites. On both surfaces, no indications of CO dissociation were found even after hours of 0.1 mbar CO exposure. However, exposing CO/H 2 mixtures to ion-bombarded Pd(1 1 1) produced carbonaceous deposits suggesting CH xO species as precursors for CO bond cleavage and that the formation of CH xO is facilitated by surface defects. The relevance of the observations for CO hydrogenation on Pd catalysts is discussed.

Measuring Your Peak Flow Rate

MedlinePlus

... Living with Asthma > Managing Asthma Measuring Your Peak Flow Rate Download Instructions A peak flow meter is ... to use. Who Benefits from Using a Peak Flow Meter? Many healthcare providers believe that people who ...

The Peak Flow Working Group: test of portable peak flow meters by explosive decompression.

PubMed

Pedersen, O F; Miller, M R

1997-02-01

In 1991, 50 new Vitalograph peak flow meters and 27 previously used mini-Wright peak flow meters were tested at three peak flows by use of a calibrator applying explosive decompression. The mini-Wright peak flow meters were also compared with eight new meters. For both makes of meter there was an excellent within-meter and between-meter variation. The accuracy, however, was poor, with a maximal overestimation of true flows of 50 and 70 L.min-1 in the interval from 200 to 400 L.min-1 for the Vitalograph and mini-Wright meters, respectively. The deviation is explained by the physical characteristics of the variable orifice peak flow meters. They have been supplied with equidistant scales, which give non-linear readings.

Squeezing of Ion Populations and Peaks in Traveling Wave Ion Mobility Separations and Structures for Lossless Ion Manipulations using Compression Ratio Ion Mobility Programming

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

Garimella, Venkata BS; Hamid, Ahmed M.; Deng, Liulin

In this work, we report an approach for spatial and temporal gas phase ion population manipulation, and demonstrate its application for the collapse of the ion distributions in ion mobility (IM) separations into tighter packets providing higher sensitivity measurements in conjunction with mass spectrometry (MS). We do this for ions moving from a conventionally traveling wave (TW)-driven region to a region where the TW is intermittently halted or ‘stuttered’. This approach causes the ion packets spanning a number of TW-created traveling traps (TT) to be redistributed into fewer TT, resulting in spatial compression. The degree of spatial compression is controllablemore » and determined by the ratio of stationary time of the TW in the second region to its moving time. This compression ratio ion mobility programming (CRIMP) approach has been implemented using Structures for Lossless Ion Manipulations (SLIM) in conjunction with MS. CRIMP with the SLIM-MS platform is shown to provide increased peak intensities, reduced peak widths, and improved S/N ratios with MS detection. CRIMP also provides a foundation for extremely long path length and multi-pass IM separations in SLIM providing greatly enhanced IM resolution by reducing the detrimental effects of diffusional peak broadening due to increasing peak widths.« less

Electronic structure and fine structural features of the air-grown UNxOy on nitrogen-rich uranium nitride

NASA Astrophysics Data System (ADS)

Long, Zhong; Zeng, Rongguang; Hu, Yin; Liu, Jing; Wang, Wenyuan; Zhao, Yawen; Luo, Zhipeng; Bai, Bin; Wang, Xiaofang; Liu, Kezhao

2018-06-01

Oxide formation on surface of nitrogen-rich uranium nitride film/particles was investigated using X-ray photoelectron spectroscopy (XPS), auger electron spectroscopy (AES), aberration-corrected transmission electron microscopy (TEM), and high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) coupled with electron energy-loss spectroscopy (EELS). XPS and AES studies indicated that the oxidized layer on UN2-x film is ternary compound uranium oxynitride (UNxOy) in 5-10 nm thickness. TEM/HAADF-STEM and EELS studies revealed the UNxOy crystallizes in the FCC CaF2-type structure with the lattice parameter close to the CaF2-type UN2-x matrix. The work can provide further information to the oxidation mechanism of uranium nitride.

Peak power ratio generator

DOEpatents

Moyer, Robert D.

1985-01-01

A peak power ratio generator is described for measuring, in combination with a conventional power meter, the peak power level of extremely narrow pulses in the gigahertz radio frequency bands. The present invention in a preferred embodiment utilizes a tunnel diode and a back diode combination in a detector circuit as the only high speed elements. The high speed tunnel diode provides a bistable signal and serves as a memory device of the input pulses for the remaining, slower components. A hybrid digital and analog loop maintains the peak power level of a reference channel at a known amount. Thus, by measuring the average power levels of the reference signal and the source signal, the peak power level of the source signal can be determined.

Peak power ratio generator

DOEpatents

Moyer, R.D.

A peak power ratio generator is described for measuring, in combination with a conventional power meter, the peak power level of extremely narrow pulses in the gigahertz radio frequency bands. The present invention in a preferred embodiment utilizes a tunnel diode and a back diode combination in a detector circuit as the only high speed elements. The high speed tunnel diode provides a bistable signal and serves as a memory device of the input pulses for the remaining, slower components. A hybrid digital and analog loop maintains the peak power level of a reference channel at a known amount. Thus, by measuring the average power levels of the reference signal and the source signal, the peak power level of the source signal can be determined.

Peak-flow characteristics of Virginia streams

USGS Publications Warehouse

Austin, Samuel H.; Krstolic, Jennifer L.; Wiegand, Ute

2011-01-01

Peak-flow annual exceedance probabilities, also called probability-percent chance flow estimates, and regional regression equations are provided describing the peak-flow characteristics of Virginia streams. Statistical methods are used to evaluate peak-flow data. Analysis of Virginia peak-flow data collected from 1895 through 2007 is summarized. Methods are provided for estimating unregulated peak flow of gaged and ungaged streams. Station peak-flow characteristics identified by fitting the logarithms of annual peak flows to a Log Pearson Type III frequency distribution yield annual exceedance probabilities of 0.5, 0.4292, 0.2, 0.1, 0.04, 0.02, 0.01, 0.005, and 0.002 for 476 streamgaging stations. Stream basin characteristics computed using spatial data and a geographic information system are used as explanatory variables in regional regression model equations for six physiographic regions to estimate regional annual exceedance probabilities at gaged and ungaged sites. Weighted peak-flow values that combine annual exceedance probabilities computed from gaging station data and from regional regression equations provide improved peak-flow estimates. Text, figures, and lists are provided summarizing selected peak-flow sites, delineated physiographic regions, peak-flow estimates, basin characteristics, regional regression model equations, error estimates, definitions, data sources, and candidate regression model equations. This study supersedes previous studies of peak flows in Virginia.

Studies on the Fe3+ Doping Effect on Structural, Optical and Catalytic Properties of Hydrothermally Synthesized TiO2 Photocatalyst

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

Kamble, Ravi; Sabale, Sandip; Chikode, Prashant

2017-08-01

Pure TiO2 and Fe3+-TiO2 nanoparticles have been prepared by simple hydrothermal method with different Fe3+ concentrations. The synthesized nanoparticles are analysed to determine its structural, optical, morphological and compositional properties using X-ray diffraction, Raman, UV-DRS, photoluminescence, Mossbauer, XPS, TEM and SEM/EDS. The EDS micrograph confirms the existence of Fe3+ atoms in the TiO2 matrix with 0.85, 1.52 and 1.87 weight percent. The crystallite size and band gap decrease with increase in Fe3+concentration. The average particle size obtained from TEM is 7-11 nm which is in good agreement with XRD results. Raman bands at 640 cm-1, 517 cm-1 and 398 cm-1more » further confirm pure phase anatase in all samples. XPS shows the proper substitutions of few sites of Ti4+ ions by Fe3+ ions in the TiO2 host lattice. The intensity of PL spectra for Fe3+-TiO2 shows a gradual decrease in the peak intensity with increasing Fe3+ concentration in TiO2, and it indicates lower recombination rate as Fe3+ ions increases. These nanoparticles are further studied for its photocatalytic activities using malachite green dye under UV light, visible light and sunlight.« less

Analysis of the Magnitude and Frequency of Peak Discharge and Maximum Observed Peak Discharge in New Mexico and Surrounding Areas

USGS Publications Warehouse

Waltemeyer, Scott D.

2008-01-01

(mean value is 62, and median value is 59) for the 100-year flood. The 1996 investigation standard error of prediction for the flood regions ranged from 41 to 96 percent (mean value is 67, and median value is 68) for the 100-year flood that was analyzed by using generalized least-squares regression analysis. Overall, the equations based on generalized least-squares regression techniques are more reliable than those in the 1996 report because of the increased length of record and improved geographic information system (GIS) method to determine basin and climatic characteristics. Flood-frequency estimates can be made for ungaged sites upstream or downstream from gaging stations by using a method that transfers flood-frequency data at the gaging station to the ungaged site by using a drainage-area ratio adjustment equation. The peak discharge for a given recurrence interval at the gaging station, drainage-area ratio, and the drainage-area exponent from the regional regression equation of the respective region is used to transfer the peak discharge for the recurrence interval to the ungaged site. Maximum observed peak discharge as related to drainage area was determined for New Mexico. Extreme events are commonly used in the design and appraisal of bridge crossings and other structures. Bridge-scour evaluations are commonly made by using the 500-year peak discharge for these appraisals. Peak-discharge data collected at 293 gaging stations and 367 miscellaneous sites were used to develop a maximum peak-discharge relation as an alternative method of estimating peak discharge of an extreme event such as a maximum probable flood.

Growth of transparent Zn1 - xSrxO (0.0 ≤ x ≤ 0.08) films by facile wet chemical method: Effect of Sr doping on the structural, optical and sensing properties

NASA Astrophysics Data System (ADS)

Rana, Amit Kumar; Das, Rajasree; Kumar, Yogendra; Sen, Somaditya; Shirage, Parasharam M.

2016-08-01

Zn1 - xSrxO (0.0 ≤ x ≤ 0.08) nano-rods thin films are prepared using simple wet chemical technique on transparent flexible substrate. Effect of Sr-doping on structural and optical properties of ZnO is systematically investigated. SEM and TEM confirm the nano-rods like morphology with single crystalline nature of all the samples. Rietveld refinement of XRD shows the samples belongs to P63mc space group, furthermore, a gradual increment in lattice parameters and change in Zn/oxygen occupancy ratio is observed with Sr doping. SIMS and XPS confirm the doping of Sr in the ZnO nanostructures. XPS measurements shows that increase in Sr doping creates more oxygen associated defects, which is further supported by the photoluminescence spectra indicating the gradual change in Zn vacancy (Vzn) and oxygen interstitial (Oin) point defect intensities in the films. Near band edge emission peak shows to shift toward higher wavelength in the doped films. Pure ZnO film shows Raman peaks around 99 (E2low), 333 (E2high - E2low) , 382 (A1 (TO)), 438 (E2high) and 582 (A1 (LO) +E1 (TO)) cm-1, whereas two additional defect driven vibrational modes (at 277 and 663 cm-1) are appeared in the Sr-doped films. The sensing property of the ZnO is enhanced by Sr doping and replicates as a promising material for future toxic and flammable gas sensor applications as well as for opto-electronic devices.

Peak High-Frequency HRV and Peak Alpha Frequency Higher in PTSD

PubMed Central

Oken, Barry S.

2012-01-01

Posttraumatic stress disorder (PTSD) is difficult to treat and current PTSD treatments are not effective for all people. Despite limited evidence for its efficacy, some clinicians have implemented biofeedback for PTSD treatment. As a first step in constructing an effective biofeedback treatment program, we assessed respiration, electroencephalography (EEG) and heart rate variability (HRV) as potential biofeedback parameters for a future clinical trial. This cross-sectional study included 86 veterans; 59 with and 27 without PTSD. Data were collected on EEG measures, HRV, and respiration rate during an attentive resting state. Measures were analyzed to assess sensitivity to PTSD status and the relationship to PTSD symptoms. Peak alpha frequency was higher in the PTSD group (F(1,84) = 6.14, p = 0.01). Peak high-frequency HRV was lower in the PTSD group (F(2,78) = 26.5, p<0.00005) when adjusting for respiration rate. All other EEG and HRV measures and respiration were not different between groups. Peak high-frequency HRV and peak alpha frequency are sensitive to PTSD status and may be potential biofeedback parameters for future PTSD clinical trials. PMID:23178990

Surface Propensity of Atmospherically Relevant Amino Acids Studied by XPS.

PubMed

Mocellin, Alexandra; Gomes, Anderson Herbert de Abreu; Araújo, Oscar Cardoso; de Brito, Arnaldo Naves; Björneholm, Olle

2017-04-27

Amino acids constitute an important fraction of the water-soluble organic nitrogen (WSON) compounds in aerosols and are involved in many processes in the atmosphere. In this work, we applied X-ray photoelectron spectroscopy (XPS) to study aqueous solutions of four amino acids, glycine, alanine, valine, and methionine, in their zwitterionic forms. We found that amino acids with hydrophilic side chains and smaller size, GLY and ALA, tend to stay in the bulk of the liquid, while the hydrophobic and bigger amino acids, VAL and MET, are found to concentrate more on the surface. We found experimental evidence that the amino acids have preferential orientation relative to the surface, with the hydrophobic side chain being closer to the surface than the hydrophilic carboxylate group. The observed amino acid surface propensity has implications in atmospheric science as the surface interactions play a central role in cloud droplet formation, and they should be considered in climate models.

Conservation of artists' acrylic emulsion paints: XPS, NEXAFS and ATR-FTIR studies of wet cleaning methods

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

Willneff, E. A.; Ormsby, B. A.; Stevens, J. S.

Works of art prepared with acrylic emulsion paints became commercially available in the 1960s. It is increasingly necessary to undertake and optimise cleaning and preventative conservation treatments to ensure their longevity. Model artists' acrylic paint films covered with artificial soiling were thus prepared on a canvas support and exposed to a variety of wet cleaning treatments based on aqueous or hydrocarbon solvent systems. This included some with additives such as chelating agents and/or surfactants, and microemulsion systems made specifically for conservation practice. The impact of cleaning (soiling removal) on the paint film surface was examined visually and correlated with resultsmore » of attenuated total reflection Fourier transform infrared, XPS and near-edge X-ray absorption fine structure analyses – three spectroscopic techniques with increasing surface sensitivity ranging from approximately $-$ 1000, 10 and 5 nm, respectively. Visual analysis established the relative cleaning efficacy of the wet cleaning treatments in line with previous results. X-ray spectroscopy analysis provided significant additional findings, including evidence for (i) surfactant extraction following aqueous swabbing, (ii) modifications to pigment following cleaning and (iii) cleaning system residues.« less

Conservation of artists' acrylic emulsion paints: XPS, NEXAFS and ATR-FTIR studies of wet cleaning methods

DOE PAGES

Willneff, E. A.; Ormsby, B. A.; Stevens, J. S.; ...

2014-02-17

Works of art prepared with acrylic emulsion paints became commercially available in the 1960s. It is increasingly necessary to undertake and optimise cleaning and preventative conservation treatments to ensure their longevity. Model artists' acrylic paint films covered with artificial soiling were thus prepared on a canvas support and exposed to a variety of wet cleaning treatments based on aqueous or hydrocarbon solvent systems. This included some with additives such as chelating agents and/or surfactants, and microemulsion systems made specifically for conservation practice. The impact of cleaning (soiling removal) on the paint film surface was examined visually and correlated with resultsmore » of attenuated total reflection Fourier transform infrared, XPS and near-edge X-ray absorption fine structure analyses – three spectroscopic techniques with increasing surface sensitivity ranging from approximately $-$ 1000, 10 and 5 nm, respectively. Visual analysis established the relative cleaning efficacy of the wet cleaning treatments in line with previous results. X-ray spectroscopy analysis provided significant additional findings, including evidence for (i) surfactant extraction following aqueous swabbing, (ii) modifications to pigment following cleaning and (iii) cleaning system residues.« less

Equivalent peak resolution: characterization of the extent of separation for two components based on their relative peak overlap.

PubMed

Dvořák, Martin; Svobodová, Jana; Dubský, Pavel; Riesová, Martina; Vigh, Gyula; Gaš, Bohuslav

2015-03-01

Although the classical formula of peak resolution was derived to characterize the extent of separation only for Gaussian peaks of equal areas, it is often used even when the peaks follow non-Gaussian distributions and/or have unequal areas. This practice can result in misleading information about the extent of separation in terms of the severity of peak overlap. We propose here the use of the equivalent peak resolution value, a term based on relative peak overlap, to characterize the extent of separation that had been achieved. The definition of equivalent peak resolution is not constrained either by the form(s) of the concentration distribution function(s) of the peaks (Gaussian or non-Gaussian) or the relative area of the peaks. The equivalent peak resolution value and the classically defined peak resolution value are numerically identical when the separated peaks are Gaussian and have identical areas and SDs. Using our new freeware program, Resolution Analyzer, one can calculate both the classically defined and the equivalent peak resolution values. With the help of this tool, we demonstrate here that the classical peak resolution values mischaracterize the extent of peak overlap even when the peaks are Gaussian but have different areas. We show that under ideal conditions of the separation process, the relative peak overlap value is easily accessible by fitting the overall peak profile as the sum of two Gaussian functions. The applicability of the new approach is demonstrated on real separations. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Osteoporosis: Peak Bone Mass in Women

MedlinePlus

... Osteoporosis: Peak Bone Mass in Women Osteoporosis: Peak Bone Mass in Women Bones are the framework for ... that affect peak bone mass. Factors Affecting Peak Bone Mass A variety of genetic and environmental factors ...

Temperature shift of intraband absorption peak in tunnel-coupled QW structure

NASA Astrophysics Data System (ADS)

Akimov, V.; Firsov, D. A.; Duque, C. A.; Tulupenko, V.; Balagula, R. M.; Vinnichenko, M. Ya.; Vorobjev, L. E.

2017-04-01

An experimental study of the intersubband light absorption by the 100-period GaAs/Al0.25Ga0.75As double quantum well heterostructure doped with silicon is reported and interpreted. Small temperature redshift of the 1-3 intersubband absorption peak is detected. Numerical calculations of the absorption coefficient including self-consistent Hartree calculations of the bottom of the conduction band show good agreement with the observed phenomena. The temperature dependence of energy gap of the material and the depolarization shift should be accounted for to explain the shift.

Impact Crater with Peak

NASA Technical Reports Server (NTRS)

2002-01-01

(Released 14 June 2002) The Science This THEMIS visible image shows a classic example of a martian impact crater with a central peak. Central peaks are common in large, fresh craters on both Mars and the Moon. This peak formed during the extremely high-energy impact cratering event. In many martian craters the central peak has been either eroded or buried by later sedimentary processes, so the presence of a peak in this crater indicates that the crater is relatively young and has experienced little degradation. Observations of large craters on the Earth and the Moon, as well as computer modeling of the impact process, show that the central peak contains material brought from deep beneath the surface. The material exposed in these peaks will provide an excellent opportunity to study the composition of the martian interior using THEMIS multi-spectral infrared observations. The ejecta material around the crater can is well preserved, again indicating relatively little modification of this landform since its initial creation. The inner walls of this approximately 18 km diameter crater show complex slumping that likely occurred during the impact event. Since that time there has been some downslope movement of material to form the small chutes and gullies that can be seen on the inner crater wall. Small (50-100 m) mega-ripples composed of mobile material can be seen on the floor of the crater. Much of this material may have come from the walls of the crater itself, or may have been blown into the crater by the wind. The Story When a meteor smacked into the surface of Mars with extremely high energy, pow! Not only did it punch an 11-mile-wide crater in the smoother terrain, it created a central peak in the middle of the crater. This peak forms kind of on the 'rebound.' You can see this same effect if you drop a single drop of milk into a glass of milk. With craters, in the heat and fury of the impact, some of the land material can even liquefy. Central peaks like the one

The visible extinction peaks of Ag nanohelixes: A periodic effective dipole model

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

Zhang, Z.-Y.; Zhao, Y.-P.

2011-02-21

Using the discrete dipole approximation method, two visible extinction peaks are found for Ag nanohelixes. Both of them redshift periodically in an approximate half pitch with the helix height and redshift linearly with the helix diameter and pitch height. At the two absorbance peaks, an integer number of E-field maxima occur along the helix. These field maxima could be treated as results of collective electron oscillations by periodic effective dipoles within a half pitch along the helix. The wavelengths of the absorbance peaks are found to scale with the effective dipole length, which is consistent with the periodic structure ofmore » the helix.« less

Forecasting Strategies for Predicting Peak Electric Load Days

NASA Astrophysics Data System (ADS)

Saxena, Harshit

Academic institutions spend thousands of dollars every month on their electric power consumption. Some of these institutions follow a demand charges pricing structure; here the amount a customer pays to the utility is decided based on the total energy consumed during the month, with an additional charge based on the highest average power load required by the customer over a moving window of time as decided by the utility. Therefore, it is crucial for these institutions to minimize the time periods where a high amount of electric load is demanded over a short duration of time. In order to reduce the peak loads and have more uniform energy consumption, it is imperative to predict when these peaks occur, so that appropriate mitigation strategies can be developed. The research work presented in this thesis has been conducted for Rochester Institute of Technology (RIT), where the demand charges are decided based on a 15 minute sliding window panned over the entire month. This case study makes use of different statistical and machine learning algorithms to develop a forecasting strategy for predicting the peak electric load days of the month. The proposed strategy was tested for a whole year starting May 2015 to April 2016 during which a total of 57 peak days were observed. The model predicted a total of 74 peak days during this period, 40 of these cases were true positives, hence achieving an accuracy level of 70 percent. The results obtained with the proposed forecasting strategy are promising and demonstrate an annual savings potential worth about $80,000 for a single submeter of RIT.

Depositional systems and diagenesis of Travis Peak tight gas sandstone reservoirs, Sabine Uplift Area, Texas

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

Fracasso, M.A.; Dutton, S.P.; Finley, R.J.

The Travis Peak formation (lower Cretaceous) in the eastern East Texas basin is a fluvio-deltaic depositional system divided into large-scale facies packages: a middle sandstone-rich fluvial and delta-plain sequence that is gradationally overlain and underlain by a marine-influenced delta-fringe zone with a higher mudstone content. Domes and structural terraces on the west flank of the Sabine Uplift influenced deposition of Travis Peak sediments, and most Travis Peak gas production in this area is from thin sandstones (<25 ft(<7.6 m) thick) in the upper delta-fringe facies. The trapping mechanism is stratigraphic pinch-out of sandstones or porosity zones within sandstone, or both,more » on the flanks of structures. Detailed mapping of producing sandstone sequences in the uppermost upper delta-fringe on the western flank of the Bethany structure has delineated fluvial channelways, distributary or tidal channels, and barrier of distributary-mouth bars. Most Travis Peak gas production in the Bethany West area is from the bases of channel sandstones in a marine-influenced facies belt. Travis Peak sandstones in the eastern East Texas basin have undergone a complex series of diagenetic modifications. Precipitation of authigenic quartz, ankerite, dolomite, illite, and chlorite and the introduction of reservoir bitumen were the most important causes of occlusion of primary porosity and reduction of permeability. Permeability decreases with depth in the Travis Peak, which suggests that the diagenetic processes that caused extensive cementation and resultant low permeability throughout most of the formation operated less completely on sediments deposited near the top of the succession.« less

Effect of gear ratio on peak power and time to peak power in BMX cyclists.

PubMed

Rylands, Lee P; Roberts, Simon J; Hurst, Howard T

2017-03-01

The aim of this study was to ascertain if gear ratio selection would have an effect on peak power and time to peak power production in elite Bicycle Motocross (BMX) cyclists. Eight male elite BMX riders volunteered for the study. Each rider performed three, 10-s maximal sprints on an Olympic standard indoor BMX track. The riders' bicycles were fitted with a portable SRM power meter. Each rider performed the three sprints using gear ratios of 41/16, 43/16 and 45/16 tooth. The results from the 41/16 and 45/16 gear ratios were compared to the current standard 43/16 gear ratio. Statistically, significant differences were found between the gear ratios for peak power (F(2,14) = 6.448; p = .010) and peak torque (F(2,14) = 4.777; p = .026), but no significant difference was found for time to peak power (F(2,14) = 0.200; p = .821). When comparing gear ratios, the results showed a 45/16 gear ratio elicited the highest peak power,1658 ± 221 W, compared to 1436 ± 129 W and 1380 ± 56 W, for the 43/16 and 41/16 ratios, respectively. The time to peak power showed a 41/16 tooth gear ratio attained peak power in -0.01 s and a 45/16 in 0.22 s compared to the 43/16. The findings of this study suggest that gear ratio choice has a significant effect on peak power production, though time to peak power output is not significantly affected. Therefore, selecting a higher gear ratio results in riders attaining higher power outputs without reducing their start time.

The effect of massive neutrinos on the BAO peak

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

Peloso, Marco; Pietroni, Massimo; Viel, Matteo

2015-07-01

We study the impact of neutrino masses on the shape and height of the BAO peak of the matter correlation function, both in real and redshift space. In order to describe the nonlinear evolution of the BAO peak we run N-body simulations and compare them with simple analytic formulae. We show that the evolution with redshift of the correlation function and its dependence on the neutrino masses is well reproduced in a simplified version of the Zel'dovich approximation, in which the mode-coupling contribution to the power spectrum is neglected. While in linear theory the BAO peak decreases for increasing neutrinomore » masses, the effect of nonlinear structure formation goes in the opposite direction, since the peak broadening by large scale flows is less effective. As a result of this combined effect, the peak decreases by ∼ 0.6 % for  ∑ m{sub ν} = 0.15 eV and increases by ∼1.2% for  ∑ m{sub ν} = 0.3 eV, with respect to a massless neutrino cosmology with equal value of the other cosmological parameters. We extend our analysis to redshift space and to halos, and confirm the agreement between simulations and the analytic formulae. We argue that all analytical approaches having the Zel'dovich propagator in their lowest order approximation should give comparable performances, irrespectively to their formulation in Lagrangian or in Eulerian space.« less

PeakVizor: Visual Analytics of Peaks in Video Clickstreams from Massive Open Online Courses.

PubMed

Chen, Qing; Chen, Yuanzhe; Liu, Dongyu; Shi, Conglei; Wu, Yingcai; Qu, Huamin

2016-10-01

Massive open online courses (MOOCs) aim to facilitate open-access and massive-participation education. These courses have attracted millions of learners recently. At present, most MOOC platforms record the web log data of learner interactions with course videos. Such large amounts of multivariate data pose a new challenge in terms of analyzing online learning behaviors. Previous studies have mainly focused on the aggregate behaviors of learners from a summative view; however, few attempts have been made to conduct a detailed analysis of such behaviors. To determine complex learning patterns in MOOC video interactions, this paper introduces a comprehensive visualization system called PeakVizor. This system enables course instructors and education experts to analyze the "peaks" or the video segments that generate numerous clickstreams. The system features three views at different levels: the overview with glyphs to display valuable statistics regarding the peaks detected; the flow view to present spatio-temporal information regarding the peaks; and the correlation view to show the correlation between different learner groups and the peaks. Case studies and interviews conducted with domain experts have demonstrated the usefulness and effectiveness of PeakVizor, and new findings about learning behaviors in MOOC platforms have been reported.

Observation of GaSe-SnO2 Heterostructure by XPS and AES

NASA Astrophysics Data System (ADS)

Tatsuyama, Chiei; Ichimura, Shoji; Iwakuro, Hiroaki

1982-01-01

The depth profile of the elemental composition of the GaSe-SnO2 heterostructure has been studied by XPS and AES. The SnO2 layer was prepared by spraying a solution of SnCl4 and SbCl3 in ethyl alcohol on to the the cleaved surface of GaSe heated to ˜400°C in air. After the solution had been sprayed on for about 5 secs., an SnO2 layer of thickness ˜460 Å formed, and a Ga2O3 layer of thickness ˜120 Å formed under the SnO2 layer. The Ga2O3 layer is a likely origin of the high-resistivity layer observed in the GaSe-SnO2 heterostructure.

Adsorption and reaction of propene on Ni(100)

NASA Astrophysics Data System (ADS)

Kleyna, R.; Borgmann, D.; Wedler, G.

1998-05-01

Photoelectron spectroscopy (UPS, XPS) and thermal desorption techniques were used to study the chemisorption and decomposition reactions of propene on Ni(100). Propene is molecularly adsorbed at temperatures below 150 K. At saturation coverage the TD spectrum shows two propene desorption peaks at 155 and 225 K and three hydrogen desorption peaks at 300, 330 and 380 K with a shoulder at 420 K. No other desorbing species could be detected. The amount of desorption of propene was determined by XPS to be 20% of the saturation coverage. The electronic structure of adsorbed propene and the chemical nature of its decomposition products were deduced from UP and XP spectra taken at saturation coverage. Adsorption at low temperatures results in a π-bonded species which is stable up to 150 K. At temperatures above 150 K the UP spectra point to a σ-bonded species which decomposes further at temperatures above 260 K.

PolyaPeak: Detecting Transcription Factor Binding Sites from ChIP-seq Using Peak Shape Information

PubMed Central

Wu, Hao; Ji, Hongkai

2014-01-01

ChIP-seq is a powerful technology for detecting genomic regions where a protein of interest interacts with DNA. ChIP-seq data for mapping transcription factor binding sites (TFBSs) have a characteristic pattern: around each binding site, sequence reads aligned to the forward and reverse strands of the reference genome form two separate peaks shifted away from each other, and the true binding site is located in between these two peaks. While it has been shown previously that the accuracy and resolution of binding site detection can be improved by modeling the pattern, efficient methods are unavailable to fully utilize that information in TFBS detection procedure. We present PolyaPeak, a new method to improve TFBS detection by incorporating the peak shape information. PolyaPeak describes peak shapes using a flexible Pólya model. The shapes are automatically learnt from the data using Minorization-Maximization (MM) algorithm, then integrated with the read count information via a hierarchical model to distinguish true binding sites from background noises. Extensive real data analyses show that PolyaPeak is capable of robustly improving TFBS detection compared with existing methods. An R package is freely available. PMID:24608116

Surface composition XPS analysis of a plasma treated polystyrene: Evolution over long storage periods.

PubMed

Ba, Ousmane M; Marmey, Pascal; Anselme, Karine; Duncan, Anthony C; Ponche, Arnaud

2016-09-01

A polystyrene surface (PS) was initially treated by cold nitrogen and oxygen plasma in order to incorporate in particular amine and hydroxyl functions, respectively. The evolution of the chemical nature of the surface was further monitored over a long time period (580 days) by chemical assay, XPS and contact angle measurements. Surface density quantification of primary amine groups was performed using three chemical amine assays: 4-nitrobenzaldehyde (4-NBZ), Sulfo succinimidyl 6-[3'(2 pyridyldithio)-pionamido] hexanoate (Sulfo-LC-SPDP) and iminothiolane (ITL). The results showed amine densities were in the range of 2 per square nanometer (comparable to the results described in the literature) after 5min of nitrogen plasma treatment. Over the time period investigated, chemical assays, XPS and contact angles suggest a drastic significant evolution of the chemical nature of the surface within the first two weeks. Beyond that time period and up to almost two years, nitrogen plasma modified substrates exhibits a slow and continuous oxidation whereas oxygen plasma modifed polystyrene surface is chemically stable after two weeks of storage. The latter appeared to "ease of" showing relatively mild changes within the one year period. Our results suggest that it may be preferable to wait for a chemical "stabilization" period of two weeks before subsequent covalent immobilization of proteins onto the surface. The originality of this work resides in the study of the plasma treated surface chemistry evolution over long periods of storage time (580 days) considerably exceeding those described in the literature. Copyright © 2016 Elsevier B.V. All rights reserved.

Radiative Rates for Forbidden Transitions in Doubly-Ionized Fe-Peak Elements

NASA Astrophysics Data System (ADS)

Fivet, Vanessa; Quinet, P.; Bautista, M.

2012-05-01

Accurate and reliable atomic data for lowly-ionized Fe-peak species (Sc, Ti, V, Cr, Mn, Fe, Co, Ni and Cu) are of paramount importance for the analysis of the high resolution astrophysical spectra currently available. The third spectra of several iron group elements have been observed in different galactic sources like Herbig-Haro objects in the Orion Nebula [1] and stars like Eta Carinae [2]. However, forbidden transitions between low-lying metastable levels of doubly-ionized iron-peak ions have been very little investigated so far and radiative rates for those lines remain sparse or inexistent. We are carrying out a systematic study of the electronic structure of doubly-ionized iron-peak elements. The magnetic dipole (M1) and electric quadrupole (E2) transition probabilities are computed using the pseudo-relativistic Hartree-Fock (HFR) code of Cowan [3] and the central Thomas-Fermi-Dirac potential approximation implemented in AUTOSTRUCTURE [4]. This multi-platform approach allows for consistency checks and intercomparison and has proven very successful in the study of the complex Fe-peak species where many different effects contribute [5]. References [1] A. Mesa-Delgado et al., MNRAS 395 (2009) 855 [2] S. Johansson et al., A&A 361 (2000) 977 [3] R.D. Cowan, The Theory of Atomic Structure and Spectra, Berkeley: Univ. California Press (1981) [4] N.R. Badnell, J. Phys. B: At. Mol. Opt. Phys. 30 (1997) 1 [5] M. Bautista et al., ApJ 718 (2010) L189

Local properties of the large-scale peaks of the CMB temperature

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

Marcos-Caballero, A.; Martínez-González, E.; Vielva, P., E-mail: marcos@ifca.unican.es, E-mail: martinez@ifca.unican.es, E-mail: vielva@ifca.unican.es

2017-05-01

In the present work, we study the largest structures of the CMB temperature measured by Planck in terms of the most prominent peaks on the sky, which, in particular, are located in the southern galactic hemisphere. Besides these large-scale features, the well-known Cold Spot anomaly is included in the analysis. All these peaks would contribute significantly to some of the CMB large-scale anomalies, as the parity and hemispherical asymmetries, the dipole modulation, the alignment between the quadrupole and the octopole, or in the case of the Cold Spot, to the non-Gaussianity of the field. The analysis of the peaks ismore » performed by using their multipolar profiles, which characterize the local shape of the peaks in terms of the discrete Fourier transform of the azimuthal angle. In order to quantify the local anisotropy of the peaks, the distribution of the phases of the multipolar profiles is studied by using the Rayleigh random walk methodology. Finally, a direct analysis of the 2-dimensional field around the peaks is performed in order to take into account the effect of the galactic mask. The results of the analysis conclude that, once the peak amplitude and its first and second order derivatives at the centre are conditioned, the rest of the field is compatible with the standard model. In particular, it is observed that the Cold Spot anomaly is caused by the large value of curvature at the centre.« less

Verification of 1921 peak discharge at Skagit River near Concrete, Washington, using 2003 peak-discharge data

USGS Publications Warehouse

Mastin, M.C.; Kresch, D.L.

2005-01-01

The 1921 peak discharge at Skagit River near Concrete, Washington (U.S. Geological Survey streamflow-gaging station 12194000), was verified using peak-discharge data from the flood of October 21, 2003, the largest flood since 1921. This peak discharge is critical to determining other high discharges at the gaging station and to reliably estimating the 100-year flood, the primary design flood being used in a current flood study of the Skagit River basin. The four largest annual peak discharges of record (1897, 1909, 1917, and 1921) were used to determine the 100-year flood discharge at Skagit River near Concrete. The peak discharge on December 13, 1921, was determined by James E. Stewart of the U.S. Geological Survey using a slope-area measurement and a contracted-opening measurement. An extended stage-discharge rating curve based on the 1921 peak discharge was used to determine the peak discharges of the three other large floods. Any inaccuracy in the 1921 peak discharge also would affect the accuracies of the three other largest peak discharges. The peak discharge of the 1921 flood was recalculated using the cross sections and high-water marks surveyed after the 1921 flood in conjunction with a new estimate of the channel roughness coefficient (n value) based on an n-verification analysis of the peak discharge of the October 21, 2003, flood. The n value used by Stewart for his slope-area measurement of the 1921 flood was 0.033, and the corresponding calculated peak discharge was 240,000 cubic feet per second (ft3/s). Determination of a single definitive water-surface profile for use in the n-verification analysis was precluded because of considerable variation in elevations of surveyed high-water marks from the flood on October 21, 2003. Therefore, n values were determined for two separate water-surface profiles thought to bracket a plausible range of water-surface slopes defined by high-water marks. The n value determined using the flattest plausible slope was 0

Peak capacity and peak capacity per unit time in capillary and microchip zone electrophoresis.

PubMed

Foley, Joe P; Blackney, Donna M; Ennis, Erin J

2017-11-10

The origins of the peak capacity concept are described and the important contributions to the development of that concept in chromatography and electrophoresis are reviewed. Whereas numerous quantitative expressions have been reported for one- and two-dimensional separations, most are focused on chromatographic separations and few, if any, quantitative unbiased expressions have been developed for capillary or microchip zone electrophoresis. Making the common assumption that longitudinal diffusion is the predominant source of zone broadening in capillary electrophoresis, analytical expressions for the peak capacity are derived, first in terms of migration time, diffusion coefficient, migration distance, and desired resolution, and then in terms of the remaining underlying fundamental parameters (electric field, electroosmotic and electrophoretic mobilities) that determine the migration time. The latter expressions clearly illustrate the direct square root dependence of peak capacity on electric field and migration distance and the inverse square root dependence on solute diffusion coefficient. Conditions that result in a high peak capacity will result in a low peak capacity per unit time and vice-versa. For a given symmetrical range of relative electrophoretic mobilities for co- and counter-electroosmotic species (cations and anions), the peak capacity increases with the square root of the electric field even as the temporal window narrows considerably, resulting in a significant reduction in analysis time. Over a broad relative electrophoretic mobility interval [-0.9, 0.9], an approximately two-fold greater amount of peak capacity can be generated for counter-electroosmotic species although it takes about five-fold longer to do so, consistent with the well-known bias in migration time and resolving power for co- and counter-electroosmotic species. The optimum lower bound of the relative electrophoretic mobility interval [μ r,Z , μ r,A ] that provides the maximum

Interfacial development of electrophoretically deposited graphene oxide films on Al alloys

DOE PAGES

Jin, Sumin; Dickerson, James H.; Pham, Viet Hung; ...

2015-07-28

Adhesion between film and substrate is critical for electronic device and coating applications. Interfacial development between electrophoretically deposited graphene oxide films on Al 1100 and Al 5052 alloys were investigated using FT-IR and XPS depth profiling techniques. Obtained results suggest metal ion permeation from the substrates into deposited graphene oxide films. The interface between the films and the substrates were primarily composed of Al-O-C bonds from oxygenated defects on graphene oxide plane rather than expected Al-C formation. Films heat treated at 150 °C had change in microstructure and peak shifts in XPS spectra suggesting change in chemical structure of bondsmore » between the films and the substrates.« less

Peak phosphorus - peak food? The need to close the phosphorus cycle.

PubMed

Rhodes, Christopher J

2013-01-01

The peak in the world production of phosphorus has been predicted to occur in 2033, based on world reserves of rock phosphate (URR) reckoned at around 24,000 million tonnes (Mt), with around 18,000 Mt remaining. This figure was reckoned-up to 71,000 Mt, by the USGS, in 2012, but a production maximum during the present century is still highly probable. There are complex issues over what the demand will be for phosphorus in the future, as measured against a rising population (from 7 billion to over 9 billion in 2050), and a greater per capita demand for fertiliser to grow more grain, in part to feed animals and meet a rising demand for meat by a human species that is not merely more populous but more affluent. As a counterweight to this, we may expect that greater efficiencies in the use of phosphorus - including recycling from farms and of human and animal waste - will reduce the per capita demand for phosphate rock. The unseen game changer is peak oil, since phosphate is mined and recovered using machinery powered by liquid fuels refined from crude oil. Hence, peak oil and peak phosphorus might appear as conjoined twins. There is no unequivocal case that we can afford to ignore the likelihood of a supply-demand gap for phosphorus occurring sometime this century, and it would be perilous to do so.

Assignment of polarization-dependent peaks in carbon K-edge spectra from biogenic and geologic aragonite.

PubMed

Zhou, Dong; Metzler, Rebecca A; Tyliszczak, Tolek; Guo, Jinghua; Abrecht, Mike; Coppersmith, Susan N; Gilbert, P U P A

2008-10-16

Many biominerals, including mollusk and echinoderm shells, avian eggshells, modern and fossil bacterial sediments, planktonic coccolithophores, and foraminifera, contain carbonates in the form of biogenic aragonite or calcite. Here we analyze biogenic and geologic aragonite using different kinds of surface- and bulk-sensitive X-ray absorption near-edge structure (XANES) spectroscopy at the carbon K-edge, as well as high-resolution scanning transmission X-ray microscopy (STXM). Besides the well-known main pi* and sigma* carbonate peaks, we observed and fully characterized four minor peaks, at energies between the main pi* and sigma* peaks. As expected, the main peaks are similar in geologic and biogenic aragonite, while the minor peaks differ in relative intensity. In this and previous work, the minor peaks appear to be the ones most affected in biomineralization processes, hence the interest in characterizing them. Peak assignment was achieved by correlation of polarization-dependent behavior of the minor peaks with that of the main pi* and sigma* peaks. The present characterization provides the background for future studies of aragonitic biominerals.

Low-temperature protein dynamics: a simulation analysis of interprotein vibrations and the boson peak at 150 k.

PubMed

Kurkal-Siebert, Vandana; Smith, Jeremy C

2006-02-22

An understanding of low-frequency, collective protein dynamics at low temperatures can furnish valuable information on functional protein energy landscapes, on the origins of the protein glass transition and on protein-protein interactions. Here, molecular dynamics (MD) simulations and normal-mode analyses are performed on various models of crystalline myoglobin in order to characterize intra- and interprotein vibrations at 150 K. Principal component analysis of the MD trajectories indicates that the Boson peak, a broad peak in the dynamic structure factor centered at about approximately 2-2.5 meV, originates from approximately 10(2) collective, harmonic vibrations. An accurate description of the environment is found to be essential in reproducing the experimental Boson peak form and position. At lower energies other strong peaks are found in the calculated dynamic structure factor. Characterization of these peaks shows that they arise from harmonic vibrations of proteins relative to each other. These vibrations are likely to furnish valuable information on the physical nature of protein-protein interactions.

Weak Lensing Peaks in Simulated Light-Cones: Investigating the Coupling between Dark Matter and Dark Energy

NASA Astrophysics Data System (ADS)

Giocoli, Carlo; Moscardini, Lauro; Baldi, Marco; Meneghetti, Massimo; Metcalf, Robert B.

2018-05-01

In this paper, we study the statistical properties of weak lensing peaks in light-cones generated from cosmological simulations. In order to assess the prospects of such observable as a cosmological probe, we consider simulations that include interacting Dark Energy (hereafter DE) models with coupling term between DE and Dark Matter. Cosmological models that produce a larger population of massive clusters have more numerous high signal-to-noise peaks; among models with comparable numbers of clusters those with more concentrated haloes produce more peaks. The most extreme model under investigation shows a difference in peak counts of about 20% with respect to the reference ΛCDM model. We find that peak statistics can be used to distinguish a coupling DE model from a reference one with the same power spectrum normalisation. The differences in the expansion history and the growth rate of structure formation are reflected in their halo counts, non-linear scale features and, through them, in the properties of the lensing peaks. For a source redshift distribution consistent with the expectations of future space-based wide field surveys, we find that typically seventy percent of the cluster population contributes to weak-lensing peaks with signal-to-noise ratios larger than two, and that the fraction of clusters in peaks approaches one-hundred percent for haloes with redshift z ≤ 0.5. Our analysis demonstrates that peak statistics are an important tool for disentangling DE models by accurately tracing the structure formation processes as a function of the cosmic time.

Initial stages of oxide formation on the Zr surface at low oxygen pressure: An in situ FIM and XPS study

PubMed Central

Bespalov, I.; Datler, M.; Buhr, S.; Drachsel, W.; Rupprechter, G.; Suchorski, Y.

2015-01-01

An improved methodology of the Zr specimen preparation was developed which allows fabrication of stable Zr nanotips suitable for FIM and AP applications. Initial oxidation of the Zr surface was studied on a Zr nanotip by FIM and on a polycrystalline Zr foil by XPS, both at low oxygen pressure (10−8–10−7 mbar). The XPS data reveal that in a first, fast stage of oxidation, a Zr suboxide interlayer is formed which contains three suboxide components (Zr+1, Zr+2 and Zr+3) and is located between the Zr surface and a stoichiometric ZrO2 overlayer that grows in a second, slow oxidation stage. The sole suboxide layer has been observed for the first time at very early states of the oxidation (oxygen exposure ≤4 L). The Ne+ FIM observations are in accord with a two stage process of Zr oxide formation. PMID:25766998

Surface XPS characterization of NiTi shape memory alloy after advanced oxidation processes in UV/H 2O 2 photocatalytic system

NASA Astrophysics Data System (ADS)

Wang, R. M.; Chu, C. L.; Hu, T.; Dong, Y. S.; Guo, C.; Sheng, X. B.; Lin, P. H.; Chung, C. Y.; Chu, P. K.

2007-08-01

Surface structure of NiTi shape memory alloy (SMA) was modified by advanced oxidation processes (AOP) in an ultraviolet (UV)/H 2O 2 photocatalytic system, and then systematically characterized with x-ray photoelectron spectroscopy (XPS). It is found that the AOP in UV/H 2O 2 photocatalytic system leads to formation of titanium oxides film on NiTi substrate. Depth profiles of O, Ni and Ti show such a film possesses a graded interface structure to NiTi substrate and there is no intermediate Ni-rich layer like that produced in conventional high temperature oxidation. Except TiO 2 phase, some titanium suboxides (TiO, Ti 2O 3) may also exist in the titanium oxides film. Oxygen mainly presents in metal oxides and some chemisorbed water and OH - are found in titanium oxides film. Ni nearly reaches zero on the upper surface and relatively depleted in the whole titanium oxides film. The work indicates the AOP in UV/H 2O 2 photocatalytic system is a promising way to favor the widespread application of biomedical NiTi SMA by improving its biocompatibility.

How to use your peak flow meter

MedlinePlus

Peak flow meter - how to use; Asthma - peak flow meter; Reactive airway disease - peak flow meter; Bronchial asthma - peak flow meter ... your airways are narrowed and blocked due to asthma, your peak flow values drop. You can check ...

XPS and Ag L3-edge XANES characterization of silver and silver-gold sulfoselenides

NASA Astrophysics Data System (ADS)

Mikhlin, Yuri L.; Pal'yanova, Galina A.; Tomashevich, Yevgeny V.; Vishnyakova, Elena A.; Vorobyev, Sergey A.; Kokh, Konstantin A.

2018-05-01

Gold and silver sulfoselenides are of interest as materials with high ionic conductivity and promising magnetoresistive, thermoelectric, optical, and other physico-chemical properties, which are strongly dependent on composition and structure. Here, we applied X-ray photoelectron spectroscopy and Ag L3 X-ray absorption near-edge structure (XANES) to study the electronic structures of low-temperature compounds and solid solutions Ag2SxSe1-x (0 < x < 1), AgAuS, and Ag3AuSxSe2-x (x = 0, 1, 2). Upon substitution of Se with S, a steady increase in the positive charge at Ag(I) sites and only minor changes in the local charge at chalcogen atoms were found from the photoelectron Ag 3d, S 2p, Se 3d, and Ag M4,5VV Auger spectra. The intensity of the Ag L3-edge peak, which is known to correlate with hole counts in the Ag 4d shell having a formal d10 configuration, was enhanced by 20-25% from Ag2Se to Ag2S and from Ag3AuSe2 to Ag3AuS2. The effect of gold is more pronounced, and the number of Ag d holes and the negative charge of S and Se notably decreased for Au-containing compounds; in particular, the Ag L3-edge peak is about 35% lower for AgAuS relative to Ag2S. At the same time, the Au 4f binding energy and, therefore, charge at Au(I) sites increase with increasing S content due to the transfer of electron density from Au to Ag atoms. It was concluded that the effects mainly originate from shortening of the metal-chalcogen and especially the Ausbnd Ag interatomic distances in substances having similar coordination geometry.

Software for peak finding and elemental composition assignment for glycosaminoglycan tandem mass spectra.

PubMed

Hogan, John D; Klein, Joshua A; Wu, Jiandong; Chopra, Pradeep; Boons, Geert-Jan; Carvalho, Luis; Lin, Cheng; Zaia, Joseph

2018-04-03

Glycosaminoglycans (GAGs) covalently linked to proteoglycans (PGs) are characterized by repeating disaccharide units and variable sulfation patterns along the chain. GAG length and sulfation patterns impact disease etiology, cellular signaling, and structural support for cells. We and others have demonstrated the usefulness of tandem mass spectrometry (MS2) for assigning the structures of GAG saccharides; however, manual interpretation of tandem mass spectra is time-consuming, so computational methods must be employed. In the proteomics domain, the identification of monoisotopic peaks and charge states relies on algorithms that use averagine, or the average building block of the compound class being analyzed. While these methods perform well for protein and peptide spectra, they perform poorly on GAG tandem mass spectra, due to the fact that a single average building block does not characterize the variable sulfation of GAG disaccharide units. In addition, it is necessary to assign product ion isotope patterns in order to interpret the tandem mass spectra of GAG saccharides. To address these problems, we developed GAGfinder, the first tandem mass spectrum peak finding algorithm developed specifically for GAGs. We define peak finding as assigning experimental isotopic peaks directly to a given product ion composition, as opposed to deconvolution or peak picking, which are terms more accurately describing the existing methods previously mentioned. GAGfinder is a targeted, brute force approach to spectrum analysis that utilizes precursor composition information to generate all theoretical fragments. GAGfinder also performs peak isotope composition annotation, which is typically a subsequent step for averagine-based methods. Data are available via ProteomeXchange with identifier PXD009101. Published under license by The American Society for Biochemistry and Molecular Biology, Inc.

Evaluation of different time domain peak models using extreme learning machine-based peak detection for EEG signal.

PubMed

Adam, Asrul; Ibrahim, Zuwairie; Mokhtar, Norrima; Shapiai, Mohd Ibrahim; Cumming, Paul; Mubin, Marizan

2016-01-01

Various peak models have been introduced to detect and analyze peaks in the time domain analysis of electroencephalogram (EEG) signals. In general, peak model in the time domain analysis consists of a set of signal parameters, such as amplitude, width, and slope. Models including those proposed by Dumpala, Acir, Liu, and Dingle are routinely used to detect peaks in EEG signals acquired in clinical studies of epilepsy or eye blink. The optimal peak model is the most reliable peak detection performance in a particular application. A fair measure of performance of different models requires a common and unbiased platform. In this study, we evaluate the performance of the four different peak models using the extreme learning machine (ELM)-based peak detection algorithm. We found that the Dingle model gave the best performance, with 72 % accuracy in the analysis of real EEG data. Statistical analysis conferred that the Dingle model afforded significantly better mean testing accuracy than did the Acir and Liu models, which were in the range 37-52 %. Meanwhile, the Dingle model has no significant difference compared to Dumpala model.

Reaction of propane with the ordered NiO/Rh(1 1 1) studied by XPS and LEISS

NASA Astrophysics Data System (ADS)

Zhang, Hong; Wang, Wenyi; Chen, Mingshu; Wan, Huilin

2018-05-01

Nickel oxide has been reported to be an efficient catalyst for oxidative dehydrogenation of propane (ODP) to propene at low temperature. In this paper, ultrathin NiO films with various thickness were prepared on a Rh(1 1 1) surface and characterized by X-ray photoemission spectroscopy (XPS) and Low-energy ion scattering spectroscopy (LEISS). Results show that NiO forms a two-dimensional (2D) network with a O-Ni-O structure at submonolayer coverages, and a bulk-like NiO at multilayer coverages. The submonolayer NiO films are less stable than the thick ones when annealed in ultra-high vacuum (UHV) due to the strong interaction with the Rh substrate. Propane was dosed onto the model surfaces at different temperatures to investigate the activation of propane and reactivity of NiO films with propane. The reactions of propane with the thin and thick NiO films are significantly different. Propane activates on the O defect sites for the thick NiO films, whereas activation occurs on the interface of nickel oxide and substrate for the thin films with a higher activity.

The Apollo peak-ring impact basin: Insights into the structure and evolution of the South Pole-Aitken basin

NASA Astrophysics Data System (ADS)

Potter, Ross W. K.; Head, James W.; Guo, Dijun; Liu, Jianzhong; Xiao, Long

2018-05-01

The 492 km-diameter Apollo impact basin post-dates, and is located at the inner edge of, the ∼2240 km-diameter South Pole-Aitken (SPA) basin, providing an opportunity to assess the SPA substructure and lateral heterogeneity. Gravity Recovery and Interior Laboratory gravity data suggest an average crustal thickness on the floor of SPA of ∼20 km and within the Apollo basin of ∼5 km, yet remote sensing data reveal no conclusive evidence for the presence of exposed mantle material. We use the iSALE shock physics code to model the formation of the Apollo basin and find that the observational data are best fit by the impact of a 40 km diameter body traveling at 15 km/s into 20-40 km thick crustal material. These results strongly suggest that the Apollo impact occurred on ejecta deposits and collapsed crustal material of the SPA basin and could help place constraints on the location, size and geometry of the SPA transient cavity. The peak ring in the interior of Apollo basin is plausibly interpreted to be composed of inwardly collapsed lower crustal material that experienced peak shock pressures in excess of 35 GPa, consistent with remote sensing observations that suggest shocked plagioclase. Proposed robotic and/or human missions to SPA and Apollo would present an excellent opportunity to test the predictions of this work and address many scientific questions about SPA basin evolution and structure.

Multiscale peak detection in wavelet space.

PubMed

Zhang, Zhi-Min; Tong, Xia; Peng, Ying; Ma, Pan; Zhang, Ming-Jin; Lu, Hong-Mei; Chen, Xiao-Qing; Liang, Yi-Zeng

2015-12-07

Accurate peak detection is essential for analyzing high-throughput datasets generated by analytical instruments. Derivatives with noise reduction and matched filtration are frequently used, but they are sensitive to baseline variations, random noise and deviations in the peak shape. A continuous wavelet transform (CWT)-based method is more practical and popular in this situation, which can increase the accuracy and reliability by identifying peaks across scales in wavelet space and implicitly removing noise as well as the baseline. However, its computational load is relatively high and the estimated features of peaks may not be accurate in the case of peaks that are overlapping, dense or weak. In this study, we present multi-scale peak detection (MSPD) by taking full advantage of additional information in wavelet space including ridges, valleys, and zero-crossings. It can achieve a high accuracy by thresholding each detected peak with the maximum of its ridge. It has been comprehensively evaluated with MALDI-TOF spectra in proteomics, the CAMDA 2006 SELDI dataset as well as the Romanian database of Raman spectra, which is particularly suitable for detecting peaks in high-throughput analytical signals. Receiver operating characteristic (ROC) curves show that MSPD can detect more true peaks while keeping the false discovery rate lower than MassSpecWavelet and MALDIquant methods. Superior results in Raman spectra suggest that MSPD seems to be a more universal method for peak detection. MSPD has been designed and implemented efficiently in Python and Cython. It is available as an open source package at .

Peak-discharge frequency and potential extreme peak discharge for natural streams in the Brazos River basin, Texas

USGS Publications Warehouse

Raines, Timothy H.

1998-01-01

The potential extreme peak-discharge curves as related to contributing drainage area were estimated for each of the three hydrologic regions from measured extreme peaks of record at 186 sites with streamflow-gaging stations and from measured extreme peaks at 37 sites without streamflow-gaging stations in and near the Brazos River Basin. The potential extreme peak-discharge curves generally are similar for hydrologic regions 1 and 2, and the curve for region 3 consistently is below the curves for regions 1 and 2, which indicates smaller peak discharges.

Can You Hear That Peak? Utilization of Auditory and Visual Feedback at Peak Limb Velocity.

PubMed

Loria, Tristan; de Grosbois, John; Tremblay, Luc

2016-09-01

At rest, the central nervous system combines and integrates multisensory cues to yield an optimal percept. When engaging in action, the relative weighing of sensory modalities has been shown to be altered. Because the timing of peak velocity is the critical moment in some goal-directed movements (e.g., overarm throwing), the current study sought to test whether visual and auditory cues are optimally integrated at that specific kinematic marker when it is the critical part of the trajectory. Participants performed an upper-limb movement in which they were required to reach their peak limb velocity when the right index finger intersected a virtual target (i.e., a flinging movement). Brief auditory, visual, or audiovisual feedback (i.e., 20 ms in duration) was provided to participants at peak limb velocity. Performance was assessed primarily through the resultant position of peak limb velocity and the variability of that position. Relative to when no feedback was provided, auditory feedback significantly reduced the resultant endpoint variability of the finger position at peak limb velocity. However, no such reductions were found for the visual or audiovisual feedback conditions. Further, providing both auditory and visual cues concurrently also failed to yield the theoretically predicted improvements in endpoint variability. Overall, the central nervous system can make significant use of an auditory cue but may not optimally integrate a visual and auditory cue at peak limb velocity, when peak velocity is the critical part of the trajectory.

Peak broadening and peak shift pole figures investigations by STRESS-SPEC diffractometer at FRM II

NASA Astrophysics Data System (ADS)

Gan, W. M.; Randau, C.; Hofmann, M.; Brokmeier, H. G.; Mueller, M.; Schreyer, A.

2012-02-01

This paper studied for the first time peak intensity, peak position and FHWM pole figures with one time measurement at the neutron diffractometer STRESS-SPEC via in-situ tensile deformation on austenitic steel. Fibre distribution with its evolution from central tensile direction to normal direction of these three kinds of pole figures was obtained. Variation of peak position and FWHM can be correlated to the reorientation of the texture component.

Flood frequency estimates and documented and potential extreme peak discharges in Oklahoma

USGS Publications Warehouse

Tortorelli, Robert L.; McCabe, Lan P.

2001-01-01

Knowledge of the magnitude and frequency of floods is required for the safe and economical design of highway bridges, culverts, dams, levees, and other structures on or near streams; and for flood plain management programs. Flood frequency estimates for gaged streamflow sites were updated, documented extreme peak discharges for gaged and miscellaneous measurement sites were tabulated, and potential extreme peak discharges for Oklahoma streamflow sites were estimated. Potential extreme peak discharges, derived from the relation between documented extreme peak discharges and contributing drainage areas, can provide valuable information concerning the maximum peak discharge that could be expected at a stream site. Potential extreme peak discharge is useful in conjunction with flood frequency analysis to give the best evaluation of flood risk at a site. Peak discharge and flood frequency for selected recurrence intervals from 2 to 500 years were estimated for 352 gaged streamflow sites. Data through 1999 water year were used from streamflow-gaging stations with at least 8 years of record within Oklahoma or about 25 kilometers into the bordering states of Arkansas, Kansas, Missouri, New Mexico, and Texas. These sites were in unregulated basins, and basins affected by regulation, urbanization, and irrigation. Documented extreme peak discharges and associated data were compiled for 514 sites in and near Oklahoma, 352 with streamflow-gaging stations and 162 at miscellaneous measurements sites or streamflow-gaging stations with short record, with a total of 671 measurements.The sites are fairly well distributed statewide, however many streams, large and small, have never been monitored. Potential extreme peak-discharge curves were developed for streamflow sites in hydrologic regions of the state based on documented extreme peak discharges and the contributing drainage areas. Two hydrologic regions, east and west, were defined using 98 degrees 15 minutes longitude as the

XPS and ToF-SIMS analysis of natural rubies and sapphires heat-treated in a reducing (5 mol% H 2/Ar) atmosphere

NASA Astrophysics Data System (ADS)

Achiwawanich, S.; James, B. D.; Liesegang, J.

2008-12-01

Surface effects on Mong Hsu rubies and Kanchanaburi sapphires after heat treatment in a controlled reducing atmosphere (5 mol% H 2/Ar) have been investigated using advanced surface science techniques including X-ray photoelectron spectroscopy (XPS) and time-of-flight secondary ion mass spectrometry (ToF-SIMS). Visual appearance of the gemstones is clearly affected by the heat treatment in a reducing atmosphere. Kanchanaburi sapphires, in particular, exhibit Fe-containing precipitates after the heat treatment which have not been observed in previous studies under an inert atmosphere. Significant correlation between changes in visual appearance of the gemstones and variations in surface concentration of trace elements, especially Ti and Fe are observed. The XPS and ToF-SIMS results suggest that; (1) a reducing atmosphere affects the oxidation state of Fe; (2) dissociation of Fe-Ti interaction may occur during heat treatment.

A model to forecast peak spreading.

DOT National Transportation Integrated Search

2012-04-01

As traffic congestion increases, the K-factor, defined as the proportion of the 24-hour traffic volume that occurs during the peak hour, may decrease. This behavioral response is known as peak spreading: as congestion grows during the peak travel tim...

Stability of boron-doped graphene/copper interface: DFT, XPS and OSEE studies

NASA Astrophysics Data System (ADS)

Boukhvalov, D. W.; Zhidkov, I. S.; Kukharenko, A. I.; Slesarev, A. I.; Zatsepin, A. F.; Cholakh, S. O.; Kurmaev, E. Z.

2018-05-01

Two different types of boron-doped graphene/copper interfaces synthesized using two different flow rates of Ar through the bubbler containing the boron source were studied. X-ray photoelectron spectra (XPS) and optically stimulated electron emission (OSEE) measurements have demonstrated that boron-doped graphene coating provides a high corrosion resistivity of Cu-substrate with the light traces of the oxidation of carbon cover. The density functional theory calculations suggest that for the case of substitutional (graphitic) boron-defect only the oxidation near boron impurity is energetically favorable and creation of the vacancies that can induce the oxidation of copper substrate is energetically unfavorable. In the case of non-graphitic boron defects oxidation of the area, a nearby impurity is metastable that not only prevent oxidation but makes boron-doped graphene. Modeling of oxygen reduction reaction demonstrates high catalytic performance of these materials.

Geologic map of the Reyes Peak quadrangle, Ventura County, California

USGS Publications Warehouse

Minor, Scott A.

2004-01-01

New 1:24,000-scale geologic mapping in the Cuyama 30' x 60' quadrangle, in support of the USGS Southern California Areal Mapping Project (SCAMP), is contributing to a more complete understanding of the stratigraphy, structure, and tectonic evolution of the complex junction area between the NW-trending Coast Ranges and EW-trending western Transverse Ranges. The 1:24,000-scale geologic map of the Reyes Peak quadrangle, located in the eastern part of the Cuyama map area, is the final of six contiguous 7 ?' quadrangle geologic maps compiled for a more detailed portrayal and reevaluation of geologic structures and rock units shown on previous maps of the region (Carman, 1964; Dibblee, 1972; Vedder and others, 1973). SCAMP digital geologic maps of the five other contiguous quadrangles have recently been published (Minor, 1999; Kellogg, 1999, 2003; Stone and Cossette, 2000; Kellogg and Miggins, 2002). This digital compilation presents a new geologic map database for the Reyes Peak 7?' quadrangle, which is located in southern California about 75 km northwest of Los Angeles. The map database is at 1:24,000-scale resolution.

A 800 kV compact peaking capacitor for nanosecond generator.

PubMed

Jia, Wei; Chen, Zhiqiang; Tang, Junping; Chen, Weiqing; Guo, Fan; Sun, Fengrong; Li, Junna; Qiu, Aici

2014-09-01

An extremely compact high voltage peaking capacitor is developed. The capacitor has a pancake structure with a diameter of 315 mm, a thickness of 59 mm, and a mass of 6.1 kg. The novel structural design endows the capacitor with a better mechanical stability and reliability under hundreds of kilovolts pulse voltage and an inner gas pressure of more than 1.5 MPa. The theoretical value of the capacitor self-inductance is near to 17 nH. Proved by series of electrical experiments, the capacitor can endure a high-voltage pulse with a rise time of about 20 ns, a half-width duration of around 25 ns, and an amplitude of up to 800 kV in a single shot model. When the capacitor was used in an electromagnetic pulse simulator as a peaking capacitor, the rise time of the voltage pulse can be reduced from 20 ns to less than 3 ns. The practical value of the capacitor's inductance deduced from the experimental date is no more than 25 nH.

Towards nanometric resolution in multilayer depth profiling: a comparative study of RBS, SIMS, XPS and GDOES.

PubMed

Escobar Galindo, Ramón; Gago, Raul; Duday, David; Palacio, Carlos

2010-04-01

An increasing amount of effort is currently being directed towards the development of new functionalized nanostructured materials (i.e., multilayers and nanocomposites). Using an appropriate combination of composition and microstructure, it is possible to optimize and tailor the final properties of the material to its final application. The analytical characterization of these new complex nanostructures requires high-resolution analytical techniques that are able to provide information about surface and depth composition at the nanometric level. In this work, we comparatively review the state of the art in four different depth-profiling characterization techniques: Rutherford backscattering spectroscopy (RBS), secondary ion mass spectrometry (SIMS), X-ray photoelectron spectroscopy (XPS) and glow discharge optical emission spectroscopy (GDOES). In addition, we predict future trends in these techniques regarding improvements in their depth resolutions. Subnanometric resolution can now be achieved in RBS using magnetic spectrometry systems. In SIMS, the use of rotating sample holders and oxygen flooding during analysis as well as the optimization of floating low-energy ion guns to lower the impact energy of the primary ions improves the depth resolution of the technique. Angle-resolved XPS provides a very powerful and nondestructive technique for obtaining depth profiling and chemical information within the range of a few monolayers. Finally, the application of mathematical tools (deconvolution algorithms and a depth-profiling model), pulsed sources and surface plasma cleaning procedures is expected to greatly improve GDOES depth resolution.

5. VIEW TO THE EAST NORTH EAST FROM PEAK OF ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

5. VIEW TO THE EAST NORTH EAST FROM PEAK OF THE TURBINE HALL. THE BRICK STACK TO THE RIGHT EXHAUSTED BOILER 904 WHICH WAS INSTALLED IN 1944. STEEL SHEATHED STRUCTURE IN CENTER OF PHOTOGRAPH HOUSED BOILERS 902 AND 903. - New York, New Haven & Hartford Railroad, Cos Cob Power Plant, Sound Shore Drive, Greenwich, Fairfield County, CT

Optical, Structural, and Thermal Properties of Cerium-Doped Zinc Borophosphate Glasses.

PubMed

Choi, Su-Yeon; Ryu, Bong-Ki

2015-11-01

In this study, we verify the relationship between the optical properties and structure of cerium-doped zinc borophosphate glasses that have concurrence of non-bridging oxygen (NBO) and bridging oxygen (BO), Ce3+ and Ce4+, and BO3 structure and BO4 structure. We prepared cerium-doped zinc borophosphate glass with various compositions, given by xCeO2-(100-x)[50ZnO-10B2O3 -40P2O5] (x = 1 mol% to 6 mol%), and analyzed their optical band energy, glass transition temperature, crystallization temperature, density, and molar volume. Some of the techniques used for analysis were Fourier transform infrared (FT-IR) spectroscopy and X-ray photoelectron spectroscopy (XPS). In the investigated glasses, the optical band gap energy decreased from 3.28 eV to 1.73 eV. From these results, we can deduce the changes when transitions occur from BO to NBO, from Ce3+ to Ce4+, and from the BO3 structure to the BO4 structure with increasing CeO2 content using FT-IR and XPS analysis. We also verified the changes in structural and physical properties from quantitative properties such as glass transition temperature, crystallization temperature, density, and molar volume.

Hubbert's Peak: A Physicist's View

NASA Astrophysics Data System (ADS)

McDonald, Richard

2011-11-01

Oil and its by-products, as used in manufacturing, agriculture, and transportation, are the lifeblood of today's 7 billion-person population and our 65T world economy. Despite this importance, estimates of future oil production seem dominated by wishful thinking rather than quantitative analysis. Better studies are needed. In 1956, Dr. M.King Hubbert proposed a theory of resource production and applied it successfully to predict peak U.S. oil production in 1970. Thus, the peak of oil production is referred to as ``Hubbert's Peak.'' Prof. Al Bartlett extended this work in publications and lectures on population and oil. Both Hubbert and Bartlett place peak world oil production at a similar time, essentially now. This paper extends this line of work to include analyses of individual countries, inclusion of multiple Gaussian peaks, and analysis of reserves data. While this is not strictly a predictive theory, we will demonstrate a ``closed'' story connecting production, oil-in-place, and reserves. This gives us the ``most likely'' estimate of future oil availability. Finally, we will comment on synthetic oil and the possibility of carbon-neutral synthetic oil for a sustainable future.

A Novel Approach for the Treatment of Radiation-Induced Hemorrhagic Cystitis with the GreenLight™ XPS Laser

PubMed Central

Martinez, Daniel Roberto; Ercole, Cesar E; Lopez, Juan Gabriel; Parker, Justin; Hall, Mary K

2015-01-01

ABSTRACT Introduction: The treatment of pelvic malignancies with radiotherapy can develop severe sequelae, especially radiation-induced hemorrhagic cystitis. It is a progressive disease that can lead to the need for blood transfusion, hospitalizations, and surgical interventions. This tends to affect the quality of life of these patients, and management can at times be difficult. We have evaluated the GreenLight Xcelerated Performance System (XPS) with TruCoag, although primarily used for management of benign prostatic hypertrophy (BPH), for the treatment of radiation-induced hemorrhagic cystitis. Materials and Methods: After International Review Board (IRB) approval, a retrospective chart review was performed in addition to a literature search. A series of four male patients, mean age of 81 years, with radiation-induced hemorrhagic cystitis secondary to radiotherapy for pelvic malignancies (3 prostate cancer, 1 rectal cancer) were successfully treated with the GreenLight laser after unsuccessful treatment with current therapies described in the literature. Results: All four patients treated with the GreenLight laser had resolution of their hematuria after one treatment and were discharge from the hospital with clear urine. Conclusion: The GreenLight XPS laser shows promising results for the treatment of patients with radiation-induced hemorrhagic cystitis, and deserves further evaluation and validation, especially since there is limited data available in the literature regarding the use of this technology for the treatment of this devastating condition. PMID:26200555

Impact of ambient environment on the electronic structure of CuPc/Au sample

NASA Astrophysics Data System (ADS)

Sinha, Sumona; Mukherjee, M.

2018-02-01

The performances of organic devices are crucially connected with their stability in the ambient environment. The impact of 24 h. Ambient environment exposure to the electronic structures of about 12 nm thick CuPc thin film on clean Au substrate have been studied employing UV photoemission spectroscopy technique. X-ray photoemission spectroscopy (XPS) was used to find out the origin of the change of the electronic structures in the sample with the exposure. The XPS study suggests that the oxidation occurs at the CuPc thin film. Due to the adsorption of oxygen in the CuPc film from the ambient air, charge carriers are formed within the CuPc film. Moreover, the XPS results imply that the CuPc film is sufficiently thinner for diffusing oxygen molecules through it and gets physically absorbed on Au substrate during the ambient exposure. Consequently, the hole injection barrier height of pristine CuPc film, grown on Au substrate, is reduced by about 0.50 eV and work-function of the pristine CuPc sample is enhanced by around 0.25 eV in the exposure. The findings will help to understand the mechanism that governs the degradation of performance of CuPc based devices in ambient environment.

27 CFR 9.140 - Atlas Peak.

Code of Federal Regulations, 2010 CFR

2010-04-01

... 27 Alcohol, Tobacco Products and Firearms 1 2010-04-01 2010-04-01 false Atlas Peak. 9.140 Section... THE TREASURY LIQUORS AMERICAN VITICULTURAL AREAS Approved American Viticultural Areas § 9.140 Atlas Peak. (a) Name. The name of the viticultural area described in this section is “Atlas Peak.” (b...

Separation of overlapping vibrational peaks in terahertz spectra using two-dimensional correlation spectroscopy

NASA Astrophysics Data System (ADS)

Hoshina, Hiromichi; Ishii, Shinya; Otani, Chiko

2014-07-01

In this study, the terahertz (THz) absorption spectra of poly(3-hydroxybutyrate) (PHB) were measured during isothermal crystallization at 90-120 °C. The temporal changes in the absorption spectra were analyzed using two-dimensional correlation spectroscopy (2DCOS). In the asynchronous plot, cross peaks were observed around 2.4 THz, suggesting that two vibrational modes overlap in the raw spectrum. By comparing this to the peak at 2.9 THz corresponding to the stretching mode of the helical structure of PHB and the assignment obtained using polarization spectroscopy, we concluded that the high-frequency band could be attributed to the vibration of the helical structure and the low-frequency band to the vibration between the helical structures. The exact frequencies of the overlapping vibrational bands and their assignments provide a new means to inspect the thermal behavior of the intermolecular vibrational modes. The large red-shift of the interhelix vibrational mode suggests a large anharmonicity in the vibrational potential.

XPS and biocompatibility studies of titania film on anodized NiTi shape memory alloy.

PubMed

Chu, C L; Wang, R M; Hu, T; Yin, L H; Pu, Y P; Lin, P H; Dong, Y S; Guo, C; Chung, C Y; Yeung, K W K; Chu, Paul K

2009-01-01

A dense titania film is fabricated in situ on NiTi shape memory alloy (SMA) by anodic oxidation in a Na(2)SO(4) electrolyte. The microstructure of the titania film and its influence on the biocompatibility of NiTi SMA are investigated by scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), inductively coupled plasma mass spectrometry (ICPMS), hemolysis analysis, and platelet adhesion test. The results indicate that the titania film has a Ni-free zone near the surface and can effectively block the release of harmful Ni ions from the NiTi substrate in simulated body fluids. Moreover, the wettability, hemolysis resistance, and thromboresistance of the NiTi sample are improved by this anodic oxidation method.

Depth profile composition studies of thin film CdS:Cu2S solar cells using XPS and AES

NASA Astrophysics Data System (ADS)

Bhide, V. G.; Salkalachen, S.; Rastogi, A. C.; Rao, C. N. R.; Hegde, M. S.

1981-09-01

Studies of the surface composition and depth profiles of thin film CdS:Cu2S solar cells based on the techniques of X-ray photoelectron spectroscopy (XPS) and Auger electron spectroscopy (AES) are reported. Specimens were fabricated by the thermal deposition of polycrystalline CdS films onto silver-backed electrodes predeposited on window glass substrates, followed by texturization in hot HCl and chemical plating in a hot CuCl(I) bath for a few seconds to achieve the topotaxial growth of CuS films. The XPS and AES studies indicate the junction to be fairly diffused in the as-prepared cell, with heat treatment in air at 210 C sharpening the junction, improving the stoichiometry of the Cu2S layer and thus improving cell performance. The top copper sulfide layer is found to contain impurities such as Cd, Cl, O and C, which may be removed by mild Ar(+) ion beam etching. The presence of copper deep in the junction is invariably detected, apparently in the grain boundary region in the form of CuS or Cu(2+) trapped in the lattice. It is also noted that the nominal valence state of copper changes abruptly from Cu(+) to Cu(2+) across the junction.

The intrinsic dependence structure of peak, volume, duration, and average intensity of hyetographs and hydrographs

NASA Astrophysics Data System (ADS)

Serinaldi, Francesco; Kilsby, Chris G.

2013-06-01

The information contained in hyetographs and hydrographs is often synthesized by using key properties such as the peak or maximum value Xp, volume V, duration D, and average intensity I. These variables play a fundamental role in hydrologic engineering as they are used, for instance, to define design hyetographs and hydrographs as well as to model and simulate the rainfall and streamflow processes. Given their inherent variability and the empirical evidence of the presence of a significant degree of association, such quantities have been studied as correlated random variables suitable to be modeled by multivariate joint distribution functions. The advent of copulas in geosciences simplified the inference procedures allowing for splitting the analysis of the marginal distributions and the study of the so-called dependence structure or copula. However, the attention paid to the modeling task has overlooked a more thorough study of the true nature and origin of the relationships that link Xp,V,D, and I. In this study, we apply a set of ad hoc bootstrap algorithms to investigate these aspects by analyzing the hyetographs and hydrographs extracted from 282 daily rainfall series from central eastern Europe, three 5 min rainfall series from central Italy, 80 daily streamflow series from the continental United States, and two sets of 200 simulated universal multifractal time series. Our results show that all the pairwise dependence structures between Xp,V,D, and I exhibit some key properties that can be reproduced by simple bootstrap algorithms that rely on a standard univariate resampling without resort to multivariate techniques. Therefore, the strong similarities between the observed dependence structures and the agreement between the observed and bootstrap samples suggest the existence of a numerical generating mechanism based on the superposition of the effects of sampling data at finite time steps and the process of summing realizations of independent random

Investigating the complex mechanism of B migration in a magnetic-tunnel-junction trilayer structure—a combined study using XPS and TOF-SIMS

NASA Astrophysics Data System (ADS)

Ying, Ji-Feng; Ji, Rong; Ter Lim, Sze; Tran, Michael N.; Wang, Chen Chen; Ernult, Franck

2016-02-01

The magnetic-tunnel-junction (MTJ) structure is the core of many important devices, such as magnetic recording head and STT-RAM. CoFeB/MgO/CoFeB tri-layer thin-film stack is a widely researched MTJ structure. In this tri-layer, the functional property of the MTJ, i.e. its TMR ratio, is critically dependent on the crystal orientation of the CoFe grains. In order for the desired (1 0 0) out of plane texture to develop in the CoFeB layers, B needs to be engineered to be expelled out of these CoFeB layers, and diffuse or migrate into the adjacent layers. Ta is usually used as a seed layer adjacent to the MTJ structure. In this work, we investigated the important B-migration mechanisms within this MTJ structure through a combined XPS/TOF-SIMS study. Specifically, we tried to elucidate the possible physical/chemical interactions between the B and Ta that could happen with different film stack designs. Previous works have shown that there might be two possible B-migration mechanisms. One mechanism is direct B diffusion into the adjacent Ta layer during annealing. The other B-migration mechanism is through the formation of TaBOx species, in which B could be carried out by the Ta diffusion. In particular, through studying a series of film stacks, we discussed the circumstances under which one of these B-migration mechanisms becomes dominant. Furthermore, we discussed how these B-migration mechanisms facilitated the B expulsion in a common MTJ structure.

Effect of Molybdenum Incorporation on the Structure and Magnetic Properties of Cobalt Ferrite

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

Orozco, C.; Melendez, A.; Manadhar, S.

Here, we report on the effect of molybdenum (Mo) incorporation on the crystal structure, surface morphology, Mo chemical valence state, and magnetic properties of cobalt ferrite (CoFe 2O 4, referred to CFO). Molybdenum incorporated cobalt ferrite (CoFe 2–xMo xO 4, referred to CFMO) ceramics were prepared by the conventional solid-state reaction method by varying the Mo concentration in the range of x = 0.0–0.3. X-ray diffraction studies indicate that the CFMO materials crystallize in inverse spinel cubic phase. Molybdenum incorporation induced lattice parameter increase from 8.322 to 8.343 Å coupled with a significant increase in density from 5.4 to 5.7more » g/cm 3 was evident in structural analyses. Scanning electron microscopy imaging analyses indicate that the Mo incorporation induces agglomeration of particles leading to larger particle size with increasing x(Mo) values. Detailed X-ray photoelectron spectroscopic (XPS) analyses indicate the increasing Mo content with increasing x from 0.0 to 0.3. XPS confirms that the chemistry of Mo is complex in these CFMO compounds; Mo ions exist in the lower oxidation state (Mo 4+) for higher x while in a mixed chemical valence state (Mo 4+, Mo 5+, Mo 6+) for lower x values. From the temperature-dependent magnetization, the samples show ferrimagnetic behavior including the pristine CFO. From the isothermal magnetization measurements, we find almost 2-fold decrease in coercive field ( H c) from 2143 to 1145 Oe with the increase in Mo doping up to 30%. This doping-dependent H c is consistently observed at all the temperatures measured (4, 100, 200, and 300 K). Furthermore, the saturation magnetization estimated at 4 K and at 1.5 T (from M–H loops) goes through a peak at 92 emu/g (at 15% Mo doping) from 81 emu/g (pristine CFO), and starts decreasing to 79 emu/g (at 30% Mo doping). The results demonstrate that the crystal structure, microstructure, and magnetic properties can be tuned by controlling the Mo-content in

Effect of Molybdenum Incorporation on the Structure and Magnetic Properties of Cobalt Ferrite

DOE PAGES

Orozco, C.; Melendez, A.; Manadhar, S.; ...

2017-09-26

Here, we report on the effect of molybdenum (Mo) incorporation on the crystal structure, surface morphology, Mo chemical valence state, and magnetic properties of cobalt ferrite (CoFe 2O 4, referred to CFO). Molybdenum incorporated cobalt ferrite (CoFe 2–xMo xO 4, referred to CFMO) ceramics were prepared by the conventional solid-state reaction method by varying the Mo concentration in the range of x = 0.0–0.3. X-ray diffraction studies indicate that the CFMO materials crystallize in inverse spinel cubic phase. Molybdenum incorporation induced lattice parameter increase from 8.322 to 8.343 Å coupled with a significant increase in density from 5.4 to 5.7more » g/cm 3 was evident in structural analyses. Scanning electron microscopy imaging analyses indicate that the Mo incorporation induces agglomeration of particles leading to larger particle size with increasing x(Mo) values. Detailed X-ray photoelectron spectroscopic (XPS) analyses indicate the increasing Mo content with increasing x from 0.0 to 0.3. XPS confirms that the chemistry of Mo is complex in these CFMO compounds; Mo ions exist in the lower oxidation state (Mo 4+) for higher x while in a mixed chemical valence state (Mo 4+, Mo 5+, Mo 6+) for lower x values. From the temperature-dependent magnetization, the samples show ferrimagnetic behavior including the pristine CFO. From the isothermal magnetization measurements, we find almost 2-fold decrease in coercive field ( H c) from 2143 to 1145 Oe with the increase in Mo doping up to 30%. This doping-dependent H c is consistently observed at all the temperatures measured (4, 100, 200, and 300 K). Furthermore, the saturation magnetization estimated at 4 K and at 1.5 T (from M–H loops) goes through a peak at 92 emu/g (at 15% Mo doping) from 81 emu/g (pristine CFO), and starts decreasing to 79 emu/g (at 30% Mo doping). The results demonstrate that the crystal structure, microstructure, and magnetic properties can be tuned by controlling the Mo-content in

Comparison of Peak-Flow Estimation Methods for Small Drainage Basins in Maine

USGS Publications Warehouse

Hodgkins, Glenn A.; Hebson, Charles; Lombard, Pamela J.; Mann, Alexander

2007-01-01

Understanding the accuracy of commonly used methods for estimating peak streamflows is important because the designs of bridges, culverts, and other river structures are based on these flows. Different methods for estimating peak streamflows were analyzed for small drainage basins in Maine. For the smallest basins, with drainage areas of 0.2 to 1.0 square mile, nine peak streamflows from actual rainfall events at four crest-stage gaging stations were modeled by the Rational Method and the Natural Resource Conservation Service TR-20 method and compared to observed peak flows. The Rational Method had a root mean square error (RMSE) of -69.7 to 230 percent (which means that approximately two thirds of the modeled flows were within -69.7 to 230 percent of the observed flows). The TR-20 method had an RMSE of -98.0 to 5,010 percent. Both the Rational Method and TR-20 underestimated the observed flows in most cases. For small basins, with drainage areas of 1.0 to 10 square miles, modeled peak flows were compared to observed statistical peak flows with return periods of 2, 50, and 100 years for 17 streams in Maine and adjoining parts of New Hampshire. Peak flows were modeled by the Rational Method, the Natural Resources Conservation Service TR-20 method, U.S. Geological Survey regression equations, and the Probabilistic Rational Method. The regression equations were the most accurate method of computing peak flows in Maine for streams with drainage areas of 1.0 to 10 square miles with an RMSE of -34.3 to 52.2 percent for 50-year peak flows. The Probabilistic Rational Method was the next most accurate method (-38.5 to 62.6 percent). The Rational Method (-56.1 to 128 percent) and particularly the TR-20 method (-76.4 to 323 percent) had much larger errors. Both the TR-20 and regression methods had similar numbers of underpredictions and overpredictions. The Rational Method overpredicted most peak flows and the Probabilistic Rational Method tended to overpredict peak flows

PEAK LIMITING AMPLIFIER

DOEpatents

Goldsworthy, W.W.; Robinson, J.B.

1959-03-31

A peak voltage amplitude limiting system adapted for use with a cascade type amplifier is described. In its detailed aspects, the invention includes an amplifier having at least a first triode tube and a second triode tube, the cathode of the second tube being connected to the anode of the first tube. A peak limiter triode tube has its control grid coupled to thc anode of the second tube and its anode connected to the cathode of the second tube. The operation of the limiter is controlled by a bias voltage source connected to the control grid of the limiter tube and the output of the system is taken from the anode of the second tube.

XPS analysis of activated carbon supported ionic liquids: Enhanced purity and reduced charging

NASA Astrophysics Data System (ADS)

Foelske-Schmitz, A.; Weingarth, D.; Kötz, R.

2011-12-01

Herein we report on XPS measurements on five different [EMIM] based ionic liquids (IL) prepared on activated carbon and aluminium supports. The anions were [TFSI], [BF4], [FAP], [B(CN)4] and [EtOSO3]. The results show that impurities such as O, Si or hydrocarbons were significantly reduced or no longer detected when preparation was performed on the high surface area carbon support. All core level spectra were fitted and for [EMIM][FAP], [EMIM][B(CN)4] and [EMIM][EtOSO3] de-convolution procedures of the C 1s lines are suggested. Comparison of the determined binding energies with published data strongly suggests that sample charging is irrelevant when preparation is performed on the activated carbon support. This observation is supposed to refer to the high capacitance of the high surface area carbon.

Hidden relationship between the electrical conductivity and the Mn 2p core-level photoemission spectra in La{sub 1-x}Sr{sub x}MnO{sub 3}

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

Hishida, T.; Ohbayashi, K.; Saitoh, T.

2013-01-28

Core-level electronic structure of La{sub 1-x}Sr{sub x}MnO{sub 3} has been studied by x-ray photoemission spectroscopy (XPS). We first report, by the conventional XPS, the well-screened shoulder structure in Mn 2p{sub 3/2} peak, which had been observed only by hard x-ray photoemission spectroscopy so far. Multiple-peak analysis revealed that the Mn{sup 4+} spectral weight was not proportional to the nominal hole concentration x, indicating that a simple Mn{sup 3+}/Mn{sup 4+} intensity ratio analysis may result in a wrong quantitative elemental analysis. Considerable weight of the shoulder at x = 0.0 and the fact that the shoulder weight was even slightly goingmore » down from x = 0.2 to 0.4 were not compatible with the idea that this weight simply represents the metallic behavior. Further analysis found that the whole Mn 2p{sub 3/2} peak can be decomposed into four portions, the Mn{sup 4+}, the (nominal) Mn{sup 3+}, the shoulder, and the other spectral weight located almost at the Mn{sup 3+} location. We concluded that this weight represents the well-screened final state at Mn{sup 4+} sites, whereas the shoulder is known as that of the Mn{sup 3+} states. We found that the sum of these two spectral weight has an empirical relationship to the conductivity evolution with x.« less

Historical changes in annual peak flows in Maine and implications for flood-frequency analyses

USGS Publications Warehouse

Hodgkins, Glenn A.

2010-01-01

To safely and economically design bridges, culverts, and other structures that are in or near streams (fig. 1 for example), it is necessary to determine the magnitude of peak streamflows such as the 100-year flow. Flood-frequency analyses use statistical methods to compute peak flows for selected recurrence intervals (100 years, for example). The recurrence interval is the average number of years between peak flows that are equal to or greater than a specified peak flow. Floodfrequency analyses are based on annual peak flows at a stream. It has long been assumed that annual peak streamflows are stationary over very long periods of time, except in river basins subject to urbanization, regulation, and other direct human activities. Stationarity is the concept that natural systems fluctuate within an envelope of variability that does not change over time (Milly and others, 2008). Because of the potential effects of global warming on peak flows, the assumption of peak-flow stationarity has recently been questioned (Milly and others, 2008). Maine has many streamgaging stations with 50 to 105 years of recorded annual peak streamflows. This long-term record has been tested for historical flood-frequency stationarity, to provide some insight into future flood frequency (Hodgkins, 2010). This fact sheet, prepared by the U.S. Geological Survey (USGS) in cooperation with the Maine Department of Transportation (MaineDOT), provides a partial summary of the results of the study by Hodgkins (2010).

The Boson peak in supercooled water.

PubMed

Kumar, Pradeep; Wikfeldt, K Thor; Schlesinger, Daniel; Pettersson, Lars G M; Stanley, H Eugene

2013-01-01

We perform extensive molecular dynamics simulations of the TIP4P/2005 model of water to investigate the origin of the Boson peak reported in experiments on supercooled water in nanoconfined pores, and in hydration water around proteins. We find that the onset of the Boson peak in supercooled bulk water coincides with the crossover to a predominantly low-density-like liquid below the Widom line TW. The frequency and onset temperature of the Boson peak in our simulations of bulk water agree well with the results from experiments on nanoconfined water. Our results suggest that the Boson peak in water is not an exclusive effect of confinement. We further find that, similar to other glass-forming liquids, the vibrational modes corresponding to the Boson peak are spatially extended and are related to transverse phonons found in the parent crystal, here ice Ih.

Surface analysis of glass fibres using XPS and AFM: case study of glass fibres recovered from the glass fibre reinforced polymer using chemical recycling

NASA Astrophysics Data System (ADS)

Nzioka, A. M.; Kim, Y. J.

2018-01-01

In this study, we present the results of an experimental study of the use of the X-ray photoelectron spectroscopy (XPS) and atomic force microscopy (AFM) to characterise the coatings of the recovered E - glass fibres. The recovered E - glass fibres were obtained using chemical recycling process coupled with ultrasound cavitation. The objective of this study was to analyse the impact of chemical recycling and the ultrasound cavitation process on the sizing properties of the recovered fibres. We obtained the recovered fibres and sized using 1 wt% 3 - aminopropyltriethoxysilane (APS). Part of the sized fibres was washed with acetone and analysed all the sample fibres using AFM and XPS. Results showed the different composition of sizing after extraction using acetone. We compared the results of this study with that of virgin clean glass fibres.

Empirical optimization of DFT  +  U and HSE for the band structure of ZnO.

PubMed

Bashyal, Keshab; Pyles, Christopher K; Afroosheh, Sajjad; Lamichhane, Aneer; Zayak, Alexey T

2018-02-14

ZnO is a well-known wide band gap semiconductor with promising potential for applications in optoelectronics, transparent electronics, and spintronics. Computational simulations based on the density functional theory (DFT) play an important role in the research of ZnO, but the standard functionals, like Perdew-Burke-Erzenhof, result in largely underestimated values of the band gap and the binding energies of the Zn 3d electrons. Methods like DFT  +  U and hybrid functionals are meant to remedy the weaknesses of plain DFT. However, both methods are not parameter-free. Direct comparison with experimental data is the best way to optimize the computational parameters. X-ray photoemission spectroscopy (XPS) is commonly considered as a benchmark for the computed electronic densities of states. In this work, both DFT  +  U and HSE methods were parametrized to fit almost exactly the binding energies of electrons in ZnO obtained by XPS. The optimized parameterizations of DFT  +  U and HSE lead to significantly worse results in reproducing the ion-clamped static dielectric tensor, compared to standard high-level calculations, including GW, which in turn yield a perfect match for the dielectric tensor. The failure of our XPS-based optimization reveals the fact that XPS does not report the ground state electronic structure for ZnO and should not be used for benchmarking ground state electronic structure calculations.

Empirical optimization of DFT  +  U and HSE for the band structure of ZnO

NASA Astrophysics Data System (ADS)

Bashyal, Keshab; Pyles, Christopher K.; Afroosheh, Sajjad; Lamichhane, Aneer; Zayak, Alexey T.

2018-02-01

ZnO is a well-known wide band gap semiconductor with promising potential for applications in optoelectronics, transparent electronics, and spintronics. Computational simulations based on the density functional theory (DFT) play an important role in the research of ZnO, but the standard functionals, like Perdew-Burke-Erzenhof, result in largely underestimated values of the band gap and the binding energies of the Zn3d electrons. Methods like DFT  +  U and hybrid functionals are meant to remedy the weaknesses of plain DFT. However, both methods are not parameter-free. Direct comparison with experimental data is the best way to optimize the computational parameters. X-ray photoemission spectroscopy (XPS) is commonly considered as a benchmark for the computed electronic densities of states. In this work, both DFT  +  U and HSE methods were parametrized to fit almost exactly the binding energies of electrons in ZnO obtained by XPS. The optimized parameterizations of DFT  +  U and HSE lead to significantly worse results in reproducing the ion-clamped static dielectric tensor, compared to standard high-level calculations, including GW, which in turn yield a perfect match for the dielectric tensor. The failure of our XPS-based optimization reveals the fact that XPS does not report the ground state electronic structure for ZnO and should not be used for benchmarking ground state electronic structure calculations.

High-Frequency Peaks in the Power Spectrum of Solar Velocity Observations from the GOLF Experiment

NASA Astrophysics Data System (ADS)

García, R. A.; Pallé, P. L.; Turck-Chièze, S.; Osaki, Y.; Shibahashi, H.; Jefferies, S. M.; Boumier, P.; Gabriel, A. H.; Grec, G.; Robillot, J. M.; Cortés, T. Roca; Ulrich, R. K.

1998-09-01

The power spectrum of more than 630 days of full-disk solar velocity data, provided by the GOLF spectrophotometer aboard the Solar and Heliospheric Observatory, has revealed the presence of modelike structure well beyond the acoustic cutoff frequency for the solar atmosphere (νac~5.4 mHz). Similar data produced by full-disk instruments deployed in Earth-based networks (BiSON and IRIS) had not shown any peak structure above νac: this is probably due to the higher levels of noise that are inherent in Earth-based experiments. We show that the observed peak structure (νac<=ν<=7.5 mHz) can be explained by a simple two-wave interference model if the high-frequency waves are partially reflected at the back side of the Sun.

Post-Wildfire Peak Discharge Prediction Methods in Northern New Mexico

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

Ronstadt, Jackie A.

Recent changes in climate have resulted in a decrease in precipitation and snowpack amounts and increased temperatures in the western United States. As the climate warms, there are also changes to runoff amounts and water availability. Drier and warmer conditions coupled with forest management practices have led to an increase in the frequency and size of forest fires. The 2000 Cerro Grande fire in Los Alamos, New Mexico burned over 43,000 acres and 200 structures. Eleven years later, the Las Conchas fire burned over 156,000 acres and 100 structures, including areas previously burned in 2000, and was considered the largestmore » fire in New Mexico’s history. Both fires burned ponderosa, juniper, piñon and mixed conifer forests, resulting in dramatic decreases in vegetation, changes to surface soils, and alterations to the hydrologic cycle (decreased evapotranspiration, decreased infiltration, increased runoff volume and peak discharge, and decreased time to peak discharge) in surrounding watersheds. The frequency of large, intense “mega-fires” are predicted to increase, thus there is a potential for more post-fire flood damage and more surface water resources to be altered due to water quality issues.« less

KiDS-450: cosmological constraints from weak lensing peak statistics - I. Inference from analytical prediction of high signal-to-noise ratio convergence peaks

NASA Astrophysics Data System (ADS)

Shan, HuanYuan; Liu, Xiangkun; Hildebrandt, Hendrik; Pan, Chuzhong; Martinet, Nicolas; Fan, Zuhui; Schneider, Peter; Asgari, Marika; Harnois-Déraps, Joachim; Hoekstra, Henk; Wright, Angus; Dietrich, Jörg P.; Erben, Thomas; Getman, Fedor; Grado, Aniello; Heymans, Catherine; Klaes, Dominik; Kuijken, Konrad; Merten, Julian; Puddu, Emanuella; Radovich, Mario; Wang, Qiao

2018-02-01

This paper is the first of a series of papers constraining cosmological parameters with weak lensing peak statistics using ˜ 450 deg2 of imaging data from the Kilo Degree Survey (KiDS-450). We measure high signal-to-noise ratio (SNR: ν) weak lensing convergence peaks in the range of 3 < ν < 5, and employ theoretical models to derive expected values. These models are validated using a suite of simulations. We take into account two major systematic effects, the boost factor and the effect of baryons on the mass-concentration relation of dark matter haloes. In addition, we investigate the impacts of other potential astrophysical systematics including the projection effects of large-scale structures, intrinsic galaxy alignments, as well as residual measurement uncertainties in the shear and redshift calibration. Assuming a flat Λ cold dark matter model, we find constraints for S_8=σ _8(Ω _m/0.3)^{0.5}=0.746^{+0.046}_{-0.107} according to the degeneracy direction of the cosmic shear analysis and Σ _8=σ _8(Ω _m/0.3)^{0.38}=0.696^{+0.048}_{-0.050} based on the derived degeneracy direction of our high-SNR peak statistics. The difference between the power index of S8 and in Σ8 indicates that combining cosmic shear with peak statistics has the potential to break the degeneracy in σ8 and Ωm. Our results are consistent with the cosmic shear tomographic correlation analysis of the same data set and ˜2σ lower than the Planck 2016 results.

Method and apparatus for current-output peak detection

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

De Geronimo, Gianluigi

2017-01-24

A method and apparatus for a current-output peak detector. A current-output peak detector circuit is disclosed and works in two phases. The peak detector circuit includes switches to switch the peak detector circuit from the first phase to the second phase upon detection of the peak voltage of an input voltage signal. The peak detector generates a current output with a high degree of accuracy in the second phase.

User's Manual for Program PeakFQ, Annual Flood-Frequency Analysis Using Bulletin 17B Guidelines

USGS Publications Warehouse

Flynn, Kathleen M.; Kirby, William H.; Hummel, Paul R.

2006-01-01

Estimates of flood flows having given recurrence intervals or probabilities of exceedance are needed for design of hydraulic structures and floodplain management. Program PeakFQ provides estimates of instantaneous annual-maximum peak flows having recurrence intervals of 2, 5, 10, 25, 50, 100, 200, and 500 years (annual-exceedance probabilities of 0.50, 0.20, 0.10, 0.04, 0.02, 0.01, 0.005, and 0.002, respectively). As implemented in program PeakFQ, the Pearson Type III frequency distribution is fit to the logarithms of instantaneous annual peak flows following Bulletin 17B guidelines of the Interagency Advisory Committee on Water Data. The parameters of the Pearson Type III frequency curve are estimated by the logarithmic sample moments (mean, standard deviation, and coefficient of skewness), with adjustments for low outliers, high outliers, historic peaks, and generalized skew. This documentation provides an overview of the computational procedures in program PeakFQ, provides a description of the program menus, and provides an example of the output from the program.

Peak distortion effects in analytical ion chromatography.

PubMed

Wahab, M Farooq; Anderson, Jordan K; Abdelrady, Mohamed; Lucy, Charles A

2014-01-07

The elution profile of chromatographic peaks provides fundamental understanding of the processes that occur in the mobile phase and the stationary phase. Major advances have been made in the column chemistry and suppressor technology in ion chromatography (IC) to handle a variety of sample matrices and ions. However, if the samples contain high concentrations of matrix ions, the overloaded peak elution profile is distorted. Consequently, the trace peaks shift their positions in the chromatogram in a manner that depends on the peak shape of the overloading analyte. In this work, the peak shapes in IC are examined from a fundamental perspective. Three commercial IC columns AS16, AS18, and AS23 were studied with borate, hydroxide and carbonate as suppressible eluents. Monovalent ions (chloride, bromide, and nitrate) are used as model analytes under analytical (0.1 mM) to overload conditions (10-500 mM). Both peak fronting and tailing are observed. On the basis of competitive Langmuir isotherms, if the eluent anion is more strongly retained than the analyte ion on an ion exchanger, the analyte peak is fronting. If the eluent is more weakly retained on the stationary phase, the analyte peak always tails under overload conditions regardless of the stationary phase capacity. If the charge of the analyte and eluent anions are different (e.g., Br(-) vs CO3(2-)), the analyte peak shapes depend on the eluent concentration in a more complex pattern. It was shown that there are interesting similarities with peak distortions due to strongly retained mobile phase components in other modes of liquid chromatography.

Comparative study of GeO 2/Ge and SiO 2/Si structures on anomalous charging of oxide films upon water adsorption revealed by ambient-pressure X-ray photoelectron spectroscopy

DOE PAGES

Mori, Daichi; Oka, Hiroshi; Hosoi, Takuji; ...

2016-09-02

The energy difference between the oxide and bulk peaks in X-ray photoelectron spectroscopy (XPS) spectra was investigated in this paper for both GeO 2/Ge and SiO 2/Si structures with thickness-controlled water films. This was achieved by obtaining XPS spectra at various values of relative humidity (RH) of up to ~15%. The increase in the energy shift is more significant for thermal GeO 2 on Ge than for thermal SiO 2 on Si above ~10 -4% RH, which is due to the larger amount of water molecules that infiltrate into the GeO 2 film to form hydroxyls. Analyzing the origins ofmore » this energy shift, we propose that the positive charging of a partially hydroxylated GeO 2 film, which is unrelated to X-ray irradiation, causes the larger energy shift for GeO 2/Ge than for SiO 2/Si. A possible microscopic mechanism of this intrinsic positive charging is the emission of electrons from adsorbed water species in the suboxide layer of the GeO 2 film to the Ge bulk, leaving immobile cations or positively charged states in the oxide. Finally, this may be related to the reported negative shift of flat band voltages in metal-oxide-semiconductor diodes with an air-exposed GeO 2 layer.« less

Interface electronic structure and morphology of 2,7-dioctyl[1]benzothieno[3,2-b]benzothiophene (C8-BTBT) on Au film

NASA Astrophysics Data System (ADS)

Wang, Shitan; Niu, Dongmei; Lyu, Lu; Huang, Yingbao; Wei, Xuhui; Wang, Can; Xie, Haipeng; Gao, Yongli

2017-09-01

The interfacial electronic structure and morphology of 2,7-dioctyl[1]benzothieno[3,2-b]benzothiophene(C8-BTBT) on polycrystalline Au film was investigated with photoemission spectroscopy (PES), atomic force microscopy (AFM) and grazing incidence X-ray diffraction (GIXRD). The transport barriers of holes and electrons at the interface are 1.72 eV and 2.12 eV, respectively, from the UPS measurement. There is no chemical reaction of C8-BTBT with Au from the XPS investigation of core levels Au 4f, C 1s and S 2p. The upmost molecules adopt a standing up configuration deduced from the diffraction peaks in GIXRD and the step height in AFM. Increasing order of the upright orientation of C8-BTBT molecules with film growth result in decreasing work function of the C8-BTBT thin film by forming an outward pointing dipole layer with the ordered end Csbnd H bonds.

Improved Peak Detection and Deconvolution of Native Electrospray Mass Spectra from Large Protein Complexes.

PubMed

Lu, Jonathan; Trnka, Michael J; Roh, Soung-Hun; Robinson, Philip J J; Shiau, Carrie; Fujimori, Danica Galonic; Chiu, Wah; Burlingame, Alma L; Guan, Shenheng

2015-12-01

Native electrospray-ionization mass spectrometry (native MS) measures biomolecules under conditions that preserve most aspects of protein tertiary and quaternary structure, enabling direct characterization of large intact protein assemblies. However, native spectra derived from these assemblies are often partially obscured by low signal-to-noise as well as broad peak shapes because of residual solvation and adduction after the electrospray process. The wide peak widths together with the fact that sequential charge state series from highly charged ions are closely spaced means that native spectra containing multiple species often suffer from high degrees of peak overlap or else contain highly interleaved charge envelopes. This situation presents a challenge for peak detection, correct charge state and charge envelope assignment, and ultimately extraction of the relevant underlying mass values of the noncovalent assemblages being investigated. In this report, we describe a comprehensive algorithm developed for addressing peak detection, peak overlap, and charge state assignment in native mass spectra, called PeakSeeker. Overlapped peaks are detected by examination of the second derivative of the raw mass spectrum. Charge state distributions of the molecular species are determined by fitting linear combinations of charge envelopes to the overall experimental mass spectrum. This software is capable of deconvoluting heterogeneous, complex, and noisy native mass spectra of large protein assemblies as demonstrated by analysis of (1) synthetic mononucleosomes containing severely overlapping peaks, (2) an RNA polymerase II/α-amanitin complex with many closely interleaved ion signals, and (3) human TriC complex containing high levels of background noise. Graphical Abstract ᅟ.

ITALIAN PEAK AND ITALIAN PEAK MIDDLE ROADLESS AREAS, IDAHO AND MONTANA.

USGS Publications Warehouse

Skipp, Betty; Lambeth, Robert H.

1984-01-01

The Italian Peak and Italian Peak Middle Roadless Areas, in southwestern Montana and east-central Idaho, contain areas of probable mineral-resource potential based on combined geologic, geophysical, and geochemical studies and prospect examination. Small areas along the western, southern, and northeastern boundaries of the roadless areas have probable mineral resource potential for zinc, lead, silver, and uranium. An area of probable resource potential just east of and including a part of the Birch Creek mining district, may contain stratabound and fault-controlled silver and base metals, even though geochemical anomalies are low, and extensive prospecting has not identified any significant mineralization. The roadless areas are a part of the overthrust belt, and oil and gas possibilities must be assessed.

Quantification of the toxic hexavalent chromium content in an organic matrix by X-ray photoelectron spectroscopy (XPS) and ultra-low-angle microtomy (ULAM)

NASA Astrophysics Data System (ADS)

Greunz, Theresia; Duchaczek, Hubert; Sagl, Raffaela; Duchoslav, Jiri; Steinberger, Roland; Strauß, Bernhard; Stifter, David

2017-02-01

Cr(VI) is known for its corrosion inhibitive properties and is, despite legal regulations, still a potential candidate to be added to thin (1-3 μm) protective coatings applied on, e.g., electrical steel as used for transformers, etc. However, Cr(VI) is harmful to the environment and to the human health. Hence, a reliable quantification of it is of decisive interest. Commonly, an alkaline extraction with a photometric endpoint detection of Cr(VI) is used for such material systems. However, this procedure requires an accurate knowledge on sample parameters such as dry film thickness and coating density that are occasionally associated with significant experimental errors. We present a comprehensive study of a coating system with a defined Cr(VI) pigment concentration applied on electrical steel. X-ray photoelectron spectroscopy (XPS) was employed to resolve the elemental chromium concentration and the chemical state. Turning to the fact that XPS is extremely surface sensitive (<10 nm) and that the lowest commonly achievable lateral resolution is a number of times higher than the coating thickness (∼2 μm), a bulk analysis was achieved with XPS line scans on extended wedge-shaped tapers through the coating. For that purpose a special sample preparation step performed on an ultra-microtome was required prior to analysis. Since a temperature increase leads to a reduction of Cr(VI) we extend our method on samples, which were subjected to different curing temperatures. We show that our proposed approach now allows to determine the elemental and Cr(VI) concentration and distribution inside the coating.

New quaternary thallium indium germanium selenide TlInGe2Se6: Crystal and electronic structure

NASA Astrophysics Data System (ADS)

Khyzhun, O. Y.; Parasyuk, O. V.; Tsisar, O. V.; Piskach, L. V.; Myronchuk, G. L.; Levytskyy, V. O.; Babizhetskyy, V. S.

2017-10-01

Crystal structure of a novel quaternary thallium indium germanium selenide TlInGe2Se6 was investigated by means of powder X-ray diffraction method. It was determined that the compound crystallizes in the trigonal space group R3 with the unit cell parameters a = 10.1798(2) Å, c = 9.2872(3) Å. The relationship with similar structures was discussed. The as-synthesized TlInGe2Se6 ingot was tested with X-ray photoelectron spectroscopy (XPS) and X-ray emission spectroscopy (XES). In particular, the XPS valence-band and core-level spectra were recorded for initial and Ar+ ion-bombarded surfaces of the sample under consideration. The XPS data allow for statement that the TlInGe2Se6 surface is rigid with respect to Ar+ ion-bombardment. Particularly, Ar+ ion-bombardment (3.0 keV, 5 min duration, ion current density fixed at 14 μA/cm2) did not cause substantial modifications of stoichiometry in topmost surface layers. Furthermore, comparison on a common energy scale of the XES Se Kβ2 and Ge Kβ2 bands and the XPS valence-band spectrum reveals that the principal contributions of the Se 4p and Ge 4p states occur in the upper and central portions of the valence band of TlInGe2Se6, respectively, with also their substantial contributions in other portions of the band. The bandgap energy of TlInGe2Se6 at the level of αg=103 cm-1 is equal to 2.38 eV at room temperature.

DOUBLE-PEAKED NARROW-LINE ACTIVE GALACTIC NUCLEI. II. THE CASE OF EQUAL PEAKS

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

Smith, K. L.; Shields, G. A.; Salviander, S.

Active galactic nuclei (AGNs) with double-peaked narrow lines (DPAGNs) may be caused by kiloparsec-scale binary AGNs, bipolar outflows, or rotating gaseous disks. We examine the class of DPAGNs in which the two narrow-line components have closely similar intensity as being especially likely to involve disks or jets. Two spectroscopic indicators support this likelihood. For DPAGNs from Smith et al., the 'equal-peaked' objects (EPAGNs) have [Ne V]/[O III]ratios lower than for a control sample of non-double-peaked AGNs. This is unexpected for a pair of normal AGNs in a galactic merger, but may be consistent with [O III] emission from a rotatingmore » ring with relatively little gas at small radii. Also, [O III]/H{beta} ratios of the redshifted and blueshifted systems in the EPAGN are more similar to each other than in a control sample, suggestive of a single ionizing source and inconsistent with the binary interpretation.« less

Effect of Co doping on the structural, optical and magnetic properties of ZnO nanoparticles.

PubMed

Hays, J; Reddy, K M; Graces, N Y; Engelhard, M H; Shutthanandan, V; Luo, M; Xu, C; Giles, N C; Wang, C; Thevuthasan, S; Punnoose, A

2007-07-04

We report the results of a detailed investigation of sol-gel-synthesized nanoscale Zn(1-x)Co(x)O powders processed at 350 °C with 0≤x≤0.12 to understand how the structural, morphological, optical and magnetic properties of ZnO are modified by Co doping, in addition to searching for the theoretically predicted ferromagnetism. With x increasing to 0.03, both lattice parameters a and c of the hexagonal ZnO decreased, suggesting substitutional doping of Co at the tetrahedral Zn(2+) sites. For x>0.03, these trends reversed and the lattice showed a gradual expansion as x approached 0.12, probably due to additional interstitial incorporation of Co. Raman spectroscopy measurements showed a rapid change in the ZnO peak positions for x>0.03, suggesting significant disorder and changes in the ZnO structure, in support of additional interstitial Co doping possibility. Combined x-ray photoelectron spectroscopy (XPS), electron paramagnetic resonance spectroscopy, photoluminescence spectroscopy and diffuse reflectance spectroscopy showed clear evidence for tetrahedrally coordinated high-spin Co(2+) ions occupying the lattice sites of ZnO host system, which became saturated for x>0.03. Magnetic measurements showed a paramagnetic behaviour in Zn(1-x)Co(x)O with increasing antiferromagnetic interactions as x increased to 0.10. Surprisingly, a weak ferromagnetic behaviour was observed for the sample with x = 0.12 with a characteristic hysteresis loop showing a coercivity H(c)∼350 Oe, 25% remanence M(r), a low saturation magnetization M(s)∼0.04 emu g(-1) and with a Curie temperature T(c)∼540 K. The XPS data collected from Zn(1-x)Co(x)O samples showed a gradual increase in the oxygen concentration, changing the oxygen-deficient undoped ZnO to an excess oxygen state for x = 0.12. This indicates that such high Co concentrations and appropriate oxygen stoichiometry may be needed to achieve adequate ferromagnetic exchange coupling between the incorporated Co(2+) ions.

Relationships between Electroencephalographic Spectral Peaks Across Frequency Bands

PubMed Central

van Albada, S. J.; Robinson, P. A.

2013-01-01

The degree to which electroencephalographic spectral peaks are independent, and the relationships between their frequencies have been debated. A novel fitting method was used to determine peak parameters in the range 2–35 Hz from a large sample of eyes-closed spectra, and their interrelationships were investigated. Findings were compared with a mean-field model of thalamocortical activity, which predicts near-harmonic relationships between peaks. The subject set consisted of 1424 healthy subjects from the Brain Resource International Database. Peaks in the theta range occurred on average near half the alpha peak frequency, while peaks in the beta range tended to occur near twice and three times the alpha peak frequency on an individual-subject basis. Moreover, for the majority of subjects, alpha peak frequencies were significantly positively correlated with frequencies of peaks in the theta and low and high beta ranges. Such a harmonic progression agrees semiquantitatively with theoretical predictions from the mean-field model. These findings indicate a common or analogous source for different rhythms, and help to define appropriate individual frequency bands for peak identification. PMID:23483663

Hubbert's Peak -- A Physicist's View

NASA Astrophysics Data System (ADS)

McDonald, Richard

2011-04-01

Oil, as used in agriculture and transportation, is the lifeblood of modern society. It is finite in quantity and will someday be exhausted. In 1956, Hubbert proposed a theory of resource production and applied it successfully to predict peak U.S. oil production in 1970. Bartlett extended this work in publications and lectures on the finite nature of oil and its production peak and depletion. Both Hubbert and Bartlett place peak world oil production at a similar time, essentially now. Central to these analyses are estimates of total ``oil in place'' obtained from engineering studies of oil reservoirs as this quantity determines the area under the Hubbert's Peak. Knowing the production history and the total oil in place allows us to make estimates of reserves, and therefore future oil availability. We will then examine reserves data for various countries, in particular OPEC countries, and see if these data tell us anything about the future availability of oil. Finally, we will comment on synthetic oil and the possibility of carbon-neutral synthetic oil for a sustainable future.

PEAK READING VOLTMETER

DOEpatents

Dyer, A.L.

1958-07-29

An improvement in peak reading voltmeters is described, which provides for storing an electrical charge representative of the magnitude of a transient voltage pulse and thereafter measuring the stored charge, drawing oniy negligible energy from the storage element. The incoming voltage is rectified and stored in a condenser. The voltage of the capacitor is applied across a piezoelectric crystal between two parallel plates. Amy change in the voltage of the capacitor is reflected in a change in the dielectric constant of the crystal and the capacitance between a second pair of plates affixed to the crystal is altered. The latter capacitor forms part of the frequency determlning circuit of an oscillator and means is provided for indicating the frequency deviation which is a measure of the peak voltage applied to the voltmeter.

XPS Spectra Analysis of Ti2+, Ti3+ Ions and Dye Photodegradation Evaluation of Titania-Silica Mixed Oxide Nanoparticles

NASA Astrophysics Data System (ADS)

Chinh, Vu Duc; Broggi, Alessandra; Di Palma, Luca; Scarsella, Marco; Speranza, Giorgio; Vilardi, Giorgio; Thang, Pham Nam

2018-04-01

TiO2-SiO2 mixed oxides have been prepared by the sol-gel technique from tetrabutyl orthotitanate and tetraethyl orthosilicate. The prepared materials were characterized by x-ray diffraction, scanning electron microscopy, energy dispersive x-ray spectroscopy, nitrogen physisorption, Fourier-transform infrared spectroscopy (FT-IR) and x-ray photoelectron spectroscopy (XPS). The results indicate that the TiO2-SiO2 mixed oxides have a large surface area and a nanoscale size. FT-IR spectra show that Ti atoms are bonded to silica by oxygen bridging atoms in Ti-O-Si bonds. The titanium valence states in TiO2-SiO2 mixed oxides were investigated by XPS, and their spectra report the presence of Ti2+ and Ti3+ cations for high silica concentration, suggesting the formation of oxygen vacancies. The photocatalytic activity of the prepared materials has been evaluated for the photodegradation of methylene blue (MB). The mixed oxides were activated by means of a UV light source, and the concentration of MB was monitored by UV-Vis spectroscopy. The synthesized TiO2-SiO2 shows significantly higher MB removal efficiency in comparison with that of the commercial TiO2 Degussa, P25.

Peak Experiences: Some Empirical Tests.

ERIC Educational Resources Information Center

Wuthnow, Robert

1978-01-01

This article presents findings regarding peak experiences from a systematic random sample of 1,000 persons in the San Francisco-Oakland area. Evidence is presented on the incidence of peak experiences, on the kinds of life styles which tend to be associated with these experiences, and on some of the social implications that these experiences have.…

Structural characterization of oxidized titanium surfaces

NASA Astrophysics Data System (ADS)

Jobin, M.; Taborelli, M.; Descouts, P.

1995-05-01

Oxidized titanium surfaces resulting from various processes have been structurally characterized by means of scanning force microscopy, x-ray photoemission spectroscopy (XPS), x-ray diffraction, and electron energy-loss spectroscopy (EELS) with losses in the 0-100 eV range. It has been found that the surface morphology has a granular structure for electropolished titanium and for titanium evaporated on mica at low substrate temperature (570 K), but changes to flat terraces for the films evaporated at higher temperature (770 K). Angular-dependent XPS has revealed the presence of a Ti2O3 suboxide at the Ti/TiO2 interface for electropolished titanium. Dry oxidation has been performed at 770 and 970 K on both weakly and highly crystallized evaporated titanium films oriented along (0001). In the case of underlying crystallized metallic titanium, the resulting TiO2 films are crystallized with the anatase (004) orientation for oxidation at 770 K and with rutile (200) orientation for oxidation at 970 K. EELS spectra interpreted in terms of the molecular orbitals of a (TiO6)8- cluster show that the local octahedral environment of titanium atoms is preserved on native oxides, even if these oxides are not crystallized.

VASQUEZ PEAK WILDERNESS STUDY AREA, AND ST. LOUIS PEAK, AND WILLIAMS FORK ROADLESS AREAS, COLORADO.

USGS Publications Warehouse

Theobald, P.K.; Bielski, A.M.

1984-01-01

A mineral-resource survey was conducted during the years 1979-82 in the Vasquez Peak Wilderness Study Area and in the St. Louis Peak and Williams Fork Roadless Areas, central Front Range, Colorado. Probable resource potential for the occurrence of copper, lead, zinc, and silver in massive sulfide deposits has been identified in calcareous metamorphic rocks in the northern part of the St. Louis Peak Roadless Area and in the southern part of the Williams Fork Roadless Area. A probable resource potential for vein-type uranium deposits is identified along the Berthoud Pass fault zone in the eastern part of the Vasquez Peak Wilderness Study Area. A large area encompassing the eastern and southeastern part of each of the three areas has probable and substantiated potential for either high-grade lead-zinc-silver vein deposits, or larger, lower-grade clustered vein deposits. A probable resource potential for stockwork molybdenum deposits related to porphyry molybdenum type mineralization exists beneath the lead-zinc-silver-rich veins. The nature of the geologic terrane indicates little likelihood for the occurrence of organic fuels.

Peak water limits to freshwater withdrawal and use

PubMed Central

Gleick, Peter H.; Palaniappan, Meena

2010-01-01

Freshwater resources are fundamental for maintaining human health, agricultural production, economic activity as well as critical ecosystem functions. As populations and economies grow, new constraints on water resources are appearing, raising questions about limits to water availability. Such resource questions are not new. The specter of “peak oil”—a peaking and then decline in oil production—has long been predicted and debated. We present here a detailed assessment and definition of three concepts of “peak water”: peak renewable water, peak nonrenewable water, and peak ecological water. These concepts can help hydrologists, water managers, policy makers, and the public understand and manage different water systems more effectively and sustainably. Peak renewable water applies where flow constraints limit total water availability over time. Peak nonrenewable water is observable in groundwater systems where production rates substantially exceed natural recharge rates and where overpumping or contamination leads to a peak of production followed by a decline, similar to more traditional peak-oil curves. Peak “ecological” water is defined as the point beyond which the total costs of ecological disruptions and damages exceed the total value provided by human use of that water. Despite uncertainties in quantifying many of these costs and benefits in consistent ways, more and more watersheds appear to have already passed the point of peak water. Applying these concepts can help shift the way freshwater resources are managed toward more productive, equitable, efficient, and sustainable use. PMID:20498082

Peak-flow characteristics of Wyoming streams

USGS Publications Warehouse

Miller, Kirk A.

2003-01-01

Peak-flow characteristics for unregulated streams in Wyoming are described in this report. Frequency relations for annual peak flows through water year 2000 at 364 streamflow-gaging stations in and near Wyoming were evaluated and revised or updated as needed. Analyses of historical floods, temporal trends, and generalized skew were included in the evaluation. Physical and climatic basin characteristics were determined for each gaging station using a geographic information system. Gaging stations with similar peak-flow and basin characteristics were grouped into six hydrologic regions. Regional statistical relations between peak-flow and basin characteristics were explored using multiple-regression techniques. Generalized least squares regression equations for estimating magnitudes of annual peak flows with selected recurrence intervals from 1.5 to 500 years were developed for each region. Average standard errors of estimate range from 34 to 131 percent. Average standard errors of prediction range from 35 to 135 percent. Several statistics for evaluating and comparing the errors in these estimates are described. Limitations of the equations are described. Methods for applying the regional equations for various circumstances are listed and examples are given.

Auger electron diffraction study of the growth of Fe(001) films on ZnSe(001)

NASA Astrophysics Data System (ADS)

Jonker, B. T.; Prinz, G. A.

1991-03-01

The growth of Fe films on ZnSe(001) epilayers and bulk GaAs(001) substrates has been studied to determine the mode of film growth, the formation of the interface, and the structure of the overlayer at the 1-10 monolayer level. Auger electron diffraction (AED), x-ray photoelectron spectroscopy (XPS), and reflection high-energy electron diffraction data are obtained for incremental deposition of the Fe(001) overlayer. The coverage dependence of the AED forward scattering peaks reveals a predominantly layer-by-layer mode of film growth at 175 °C on ZnSe, while a more three-dimensional growth mode occurs on the oxide-desorbed GaAs(001) substrate. XPS studies of the semiconductor 3d levels indicate that the Fe/ZnSe interface is less reactive than the Fe/GaAs interface.

Neutron-diffraction studies of the crystal structure and the color enhancement in γ-irradiated tourmaline

NASA Astrophysics Data System (ADS)

Maneewong, Apichate; Seong, Baek Seok; Shin, Eun Joo; Kim, Jeong Seog; Kajornrith, Varavuth

2016-01-01

Tourmaline gemstones have an extremely complex composition and show great variety in color. Most color centers are related to transition-metal ions. Oxidation/reduction of these ions is known to be related with the color enhancement of tourmaline caused by gamma-ray ( γ)-irradiation and/or thermal treatment. However, the current understanding of the microscopic structure of the color centers remains weak. In this work, γ-irradiation was performed on three types of tourmaline gemstones to enhance the colors of the gemstones: two pink from Afghanistan and one green from Nigeria. All three samples were irradiated at 600 and 800 kGy. Their crystal structural and chemical behaviors have been investigated by using a Rietveld refinement analysis of neutron diffraction data, Energy Dispersive X-ray Fluorescence (EDXRF), Ultraviolet-visible Spectroscopy (UV-Vis) and X-ray Photoelectron Spectroscopy (XPS), and the results were compared with data obtained for samples in the natural state. Pink tourmaline of a high number of Mn ions (T2, 0.24 wt%) showed significant improvement in the quality of the pink color (rubellite) after irradiation of 800 kGy while the pink tourmaline of low MnO content (T1, 0.08 wt%) showed color adulteration. Pink color enhancement in T2, responding to darker pink, was associated with increases in the two absorption bands, one peaking at 396 and the other at 522 nm, after irradiation. These absorption bands are ascribed to d-d transitions of divalent manganese. T1 with color enhancement due to oxidation of Mn2+ showed a slightly larger < Y- O> distance. The green tourmaline containing much higher amounts of both Mn (T3) and Fe ions, 2.59 wt% and 5.7 wt%, respectively, changed to a yellow color after irradiation at 800 kGy. The refined structural parameters of this sample revealed distortions in the Z site. The < Z- O> distance decreased from 2.033 to 2.0192 Å. In addition, the unit-cell parameter was decreased after irradiation. The color change

Passive radio frequency peak power multiplier

DOEpatents

Farkas, Zoltan D.; Wilson, Perry B.

1977-01-01

Peak power multiplication of a radio frequency source by simultaneous charging of two high-Q resonant microwave cavities by applying the source output through a directional coupler to the cavities and then reversing the phase of the source power to the coupler, thereby permitting the power in the cavities to simultaneously discharge through the coupler to the load in combination with power from the source to apply a peak power to the load that is a multiplication of the source peak power.

In situ formation of the active sites in Pd-Au bimetallic nanocatalysts for CO oxidation: NAP (near ambient pressure) XPS and MS study.

PubMed

Bukhtiyarov, A V; Prosvirin, I P; Saraev, A A; Klyushin, A Yu; Knop-Gericke, A; Bukhtiyarov, V I

2018-06-07

Model bimetallic Pd-Au/HOPG catalysts have been investigated in the CO oxidation reaction using a combination of NAP XPS and MS techniques. The samples have shown catalytic activity at temperatures above 150 °C. The redistribution of Au and Pd on the surface depending on the reaction conditions has been demonstrated using NAP XPS. The Pd enrichment of the bimetallic particles' surface under reaction gas mixture has been shown. Apparently, CO adsorption induces Pd segregation on the surface. Heating the sample under reaction conditions above 150 °C decomposes the Pd-CO state due to CO desorption and reaction and simultaneous Pd-Au alloy formation on the surface takes place. Cooling back down to RT results in reversible Pd segregation due to Pd-CO formation and the sample becomes inactive. It has been shown that in situ studies are necessary for investigation of the active sites in Pd-Au bimetallic systems.

Peak capacity, peak-capacity production rate, and boiling point resolution for temperature-programmed GC with very high programming rates

PubMed

Grall; Leonard; Sacks

2000-02-01

Recent advances in column heating technology have made possible very fast linear temperature programming for high-speed gas chromatography. A fused-silica capillary column is contained in a tubular metal jacket, which is resistively heated by a precision power supply. With very rapid column heating, the rate of peak-capacity production is significantly enhanced, but the total peak capacity and the boiling-point resolution (minimum boiling-point difference required for the separation of two nonpolar compounds on a nonpolar column) are reduced relative to more conventional heating rates used with convection-oven instruments. As temperature-programming rates increase, elution temperatures also increase with the result that retention may become insignificant prior to elution. This results in inefficient utilization of the down-stream end of the column and causes a loss in the rate of peak-capacity production. The rate of peak-capacity production is increased by the use of shorter columns and higher carrier gas velocities. With high programming rates (100-600 degrees C/min), column lengths of 6-12 m and average linear carrier gas velocities in the 100-150 cm/s range are satisfactory. In this study, the rate of peak-capacity production, the total peak capacity, and the boiling point resolution are determined for C10-C28 n-alkanes using 6-18 m long columns, 50-200 cm/s average carrier gas velocities, and 60-600 degrees C/min programming rates. It was found that with a 6-meter-long, 0.25-mm i.d. column programmed at a rate of 600 degrees C/min, a maximum peak-capacity production rate of 6.1 peaks/s was obtained. A total peak capacity of about 75 peaks was produced in a 37-s long separation spanning a boiling-point range from n-C10 (174 degrees C) to n-C28 (432 degrees C).

Surface characterization in composite and titanium bonding: Carbon fiber surface treatments for improved adhesion to thermoplastic polymers

NASA Technical Reports Server (NTRS)

Devilbiss, T. A.; Wightman, J. P.

1987-01-01

The effect of anodization in NaOH, H2SO4, and amine salts on the surface chemistry of carbon fibers was examined by X-ray photoelectron spectroscopy (XPS). The surfaces of carbon fibers after anodization in NaOH and H2SO4 were examined by scanning transmission electron microscopy (STEM), angular dependent XPS, UV absorption spectroscopy of the anodization bath, secondary ion mass spectrometry, and polar/dispersive surface energy analysis. Hercules AS-4, Dexter Hysol XAS, and Union Carbide T-300 fibers were examined by STEM, angular dependent XPS, and breaking strength measurement before and after commercial surface treatment. Oxygen and nitrogen were added to the fiber surfaces by anodization in amine salts. Analysis of the plasmon peak in the carbon 1s signal indicated that H2SO4 anodization affected the morphological structure of the carbon fiber surface. The work of adhesion of carbon fibers to thermoplastic resins was calculated using the geometric mean relationship. A correlation was observed between the dispersive component of the work of adhesion and the interfacial adhesion.

The effect of Cr substitution on the structural, electronic and magnetic properties of pulsed laser deposited NiFe2O4 thin films

NASA Astrophysics Data System (ADS)

Panwar, Kalpana; Tiwari, Shailja; Bapna, Komal; Heda, N. L.; Choudhary, R. J.; Phase, D. M.; Ahuja, B. L.

2017-01-01

We have studied the structural, electronic and magnetic properties of pulsed laser deposited thin films of Ni1-xCrxFe2O4 (x=0.02 and 0.05) on Si (111) and Si (100) substrates. The films reveal single phase, polycrystalline structure with larger grain size on Si (111) substrate than that on Si (100) substrate. Contrary to the expected inverse spinel structure, x-ray photoemission (XPS) studies reveal the mixed spinel structure. XPS results suggest that Ni and Fe ions exist in 2+ and 3+ states, respectively, and they exist in tetrahedral as well as octahedral sites. The deviation from the inverse spinel leads to modified magnetic properties. It is observed that saturation magnetization drastically drops compared to the expected saturation value for inverse spinel structure. Strain in the films and lattice distortion produced by the Cr doping also appear to influence the magnetic properties.

Analysis of electronic structure of amorphous InGaZnO/SiO{sub 2} interface by angle-resolved X-ray photoelectron spectroscopy

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

Ueoka, Y.; Ishikawa, Y.; Maejima, N.

2013-10-28

The electronic structures of amorphous indium gallium zinc oxide (a-IGZO) on a SiO{sub 2} layers before and after annealing were observed by constant final state X-ray photoelectron spectroscopy (CFS-XPS) and X-ray adsorption near-edge structure spectroscopy (XANES). From the results of angle-resolved CFS-XPS, the change in the electronic state was clearly observed in the a-IGZO bulk rather than in the a-IGZO/SiO{sub 2} interface. This suggests that the electronic structures of the a-IGZO bulk strongly affected the thin-film transistor characteristics. The results of XANES indicated an increase in the number of tail states upon atmospheric annealing (AT). We consider that the increasemore » in the number of tail states decreased the channel mobility of AT samples.« less

GLAST answers about high-energy peaked BL Lacs: double-humped {gamma}-ray peak and extreme accelerators?

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

Costamante, L.; Aharonian, F.; Khangulyan, D.

2007-07-12

An often overlooked fact is that the MeV-GeV emission from High-energy peaked BL Lacs (HBL) is basically unknown: there are only 3 objects of this type among all EGRET identified blazars with measured spectra. GLAST will be able to measure the spectrum for many of them, in particular TeV-blazars, and surprises are expected. GLAST will tell if the {gamma}-ray peak in some HBL is actually a ''double peak'', as suggested by the comparison of EGRET and HESS data in PKS 2155-304, We also remind and argue that a new class of BL Lacs could exist, where particles are shock-accelerated nearmore » the maximum possible rate, characterized by the synchrotron emission peaking in the GLAST band (100 MeV - few GeV). Such objects could easily have escaped detection or identification so far, and could now be unveiled by GLAST.« less

In situ NAP-XPS spectroscopy during methane dry reforming on ZrO2/Pt(1 1 1) inverse model catalyst

NASA Astrophysics Data System (ADS)

Rameshan, C.; Li, H.; Anic, K.; Roiaz, M.; Pramhaas, V.; Rameshan, R.; Blume, R.; Hävecker, M.; Knudsen, J.; Knop-Gericke, A.; Rupprechter, G.

2018-07-01

Due to the need of sustainable energy sources, methane dry reforming is a useful reaction for conversion of the greenhouse gases CH4 and CO2 to synthesis gas (CO  +  H2). Syngas is the basis for a wide range of commodity chemicals and can be utilized for fuel production via Fischer–Tropsch synthesis. The current study focuses on spectroscopic investigations of the surface and reaction properties of a ZrO2/Pt inverse model catalyst, i.e. ZrO2 particles (islands) grown on a Pt(1 1 1) single crystal, with emphasis on in situ near ambient pressure x-ray photoelectron spectroscopy (NAP-XPS) during MDR reaction. In comparison to technological systems, model catalysts facilitate characterization of the surface (oxidation) state, surface adsorbates, and the role of the metal-support interface. Using XPS and infrared reflection absorption spectroscopy we demonstrated that under reducing conditions (UHV or CH4) the ZrO2 particles transformed to an ultrathin ZrO2 film that started to cover (wet) the Pt surface in an SMSI-like fashion, paralleled by a decrease in surface/interface oxygen. In contrast, (more oxidizing) dry reforming conditions with a 1:1 ratio of CH4 and CO2 were stabilizing the ZrO2 particles on the model catalyst surface (or were even reversing the strong metal support interaction (SMSI) effect), as revealed by in situ XPS. Carbon deposits resulting from CH4 dissociation were easily removed by CO2 or by switching to dry reforming conditions (673–873 K). Thus, at these temperatures the active Pt surface remained free of carbon deposits, also preserving the ZrO2/Pt interface.

Peak experiences of psilocybin users and non-users.

PubMed

Cummins, Christina; Lyke, Jennifer

2013-01-01

Maslow (1970) defined peak experiences as the most wonderful experiences of a person's life, which may include a sense of awe, well-being, or transcendence. Furthermore, recent research has suggested that psilocybin can produce experiences subjectively rated as uniquely meaningful and significant (Griffiths et al. 2006). It is therefore possible that psilocybin may facilitate or change the nature of peak experiences in users compared to non-users. This study was designed to compare the peak experiences of psilocybin users and non-users, to evaluate the frequency of peak experiences while under the influence of psilocybin, and to assess the perceived degree of alteration of consciousness during these experiences. Participants were recruited through convenience and snowball sampling from undergraduate classes and at a musical event. Participants were divided into three groups, those who reported a peak experience while under the influence of psilocybin (psilocybin peak experience: PPE), participants who had used psilocybin but reported their peak experiences did not occur while they were under the influence of psilocybin (non-psilocybin peak experience: NPPE), and participants who had never used psilocybin (non-user: NU). A total of 101 participants were asked to think about their peak experiences and complete a measure evaluating the degree of alteration of consciousness during that experience. Results indicated that 47% of psilocybin users reported their peak experience occurred while using psilocybin. In addition, there were significant differences among the three groups on all dimensions of alteration of consciousness. Future research is necessary to identify factors that influence the peak experiences of psilocybin users in naturalistic settings and contribute to the different characteristics of peak experiences of psilocybin users and non-users.

Extragalactic Peaked-spectrum Radio Sources at Low Frequencies

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

Callingham, J. R.; Gaensler, B. M.; Sadler, E. M.

We present a sample of 1483 sources that display spectral peaks between 72 MHz and 1.4 GHz, selected from the GaLactic and Extragalactic All-sky Murchison Widefield Array (GLEAM) survey. The GLEAM survey is the widest fractional bandwidth all-sky survey to date, ideal for identifying peaked-spectrum sources at low radio frequencies. Our peaked-spectrum sources are the low-frequency analogs of gigahertz-peaked spectrum (GPS) and compact-steep spectrum (CSS) sources, which have been hypothesized to be the precursors to massive radio galaxies. Our sample more than doubles the number of known peaked-spectrum candidates, and 95% of our sample have a newly characterized spectral peak.more » We highlight that some GPS sources peaking above 5 GHz have had multiple epochs of nuclear activity, and we demonstrate the possibility of identifying high-redshift ( z > 2) galaxies via steep optically thin spectral indices and low observed peak frequencies. The distribution of the optically thick spectral indices of our sample is consistent with past GPS/CSS samples but with a large dispersion, suggesting that the spectral peak is a product of an inhomogeneous environment that is individualistic. We find no dependence of observed peak frequency with redshift, consistent with the peaked-spectrum sample comprising both local CSS sources and high-redshift GPS sources. The 5 GHz luminosity distribution lacks the brightest GPS and CSS sources of previous samples, implying that a convolution of source evolution and redshift influences the type of peaked-spectrum sources identified below 1 GHz. Finally, we discuss sources with optically thick spectral indices that exceed the synchrotron self-absorption limit.« less

Individual vision and peak distribution in collective actions

NASA Astrophysics Data System (ADS)

Lu, Peng

2017-06-01

People make decisions on whether they should participate as participants or not as free riders in collective actions with heterogeneous visions. Besides of the utility heterogeneity and cost heterogeneity, this work includes and investigates the effect of vision heterogeneity by constructing a decision model, i.e. the revised peak model of participants. In this model, potential participants make decisions under the joint influence of utility, cost, and vision heterogeneities. The outcomes of simulations indicate that vision heterogeneity reduces the values of peaks, and the relative variance of peaks is stable. Under normal distributions of vision heterogeneity and other factors, the peaks of participants are normally distributed as well. Therefore, it is necessary to predict distribution traits of peaks based on distribution traits of related factors such as vision heterogeneity and so on. We predict the distribution of peaks with parameters of both mean and standard deviation, which provides the confident intervals and robust predictions of peaks. Besides, we validate the peak model of via the Yuyuan Incident, a real case in China (2014), and the model works well in explaining the dynamics and predicting the peak of real case.

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

USGS Publications Warehouse

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

1996-01-01

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

Total absorption peak by use of a rigid frame porous layer backed by a rigid multi-irregularities grating.

PubMed

Groby, J-P; Lauriks, W; Vigran, T E

2010-05-01

The acoustic properties of a low resistivity porous layer backed by a rigid plate containing periodic rectangular irregularities, creating a multicomponent diffraction gratings, are investigated. Numerical and experimental results show that the structure possesses a total absorption peak at the frequency of the modified mode of the layer, when designed as proposed in the article. These results are explained by an analysis of the acoustic response of the whole structure and especially by the modal analysis of the configuration. When more than one irregularity per spatial period is considered, additional higher frequency peaks are observed.

Degradation of the Bragg peak due to inhomogeneities.

PubMed

Urie, M; Goitein, M; Holley, W R; Chen, G T

1986-01-01

The rapid fall-off of dose at the end of range of heavy charged particle beams has the potential in therapeutic applications of sparing critical structures just distal to the target volume. Here we explored the effects of highly inhomogeneous regions on this desirable depth-dose characteristic. The proton depth-dose distribution behind a lucite-air interface parallel to the beam was bimodal, indicating the presence of two groups of protons with different residual ranges, creating a step-like depth-dose distribution at the end of range. The residual ranges became more spread out as the interface was angled at 3 degrees, and still more at 6 degrees, to the direction of the beam. A second experiment showed little significant effect on the distal depth-dose of protons having passed through a mosaic of teflon and lucite. Anatomic studies demonstrated significant effects of complex fine inhomogeneities on the end of range characteristics. Monoenergetic protons passing through the petrous ridges and mastoid air cells in the base of skull showed a dramatic degradation of the distal Bragg peak. In beams with spread out Bragg peaks passing through regions of the base of skull, the distal fall-off from 90 to 20% dose was increased from its nominal 6 to well over 32 mm. Heavy ions showed a corresponding degradation in their ends of range. In the worst case in the base of skull region, a monoenergetic neon beam showed a broadening of the full width at half maximum of the Bragg peak to over 15 mm (compared with 4 mm in a homogeneous unit density medium). A similar effect was found with carbon ions in the abdomen, where the full width at half maximum of the Bragg peak (nominally 5.5 mm) was found to be greater than 25 mm behind gas-soft-tissue interfaces. We address the implications of these data for dose computation with heavy charged particles.

Applications of time-of-flight secondary ion mass spectrometry (TOF-SIMS) and X-ray photoelectron spectroscopy (XPS) to study interactions of genetically engineered proteins with noble metal films

NASA Astrophysics Data System (ADS)

Suzuki, Noriaki

Genetically engineered proteins for inorganics (GEPIs) belong to a new class of polypeptides that are designed to have specific affinities to inorganic materials. A "gold binding protein (GBP)" was chosen as a model protein for GEPIs to study the molecular origins of binding specificity to gold using Time-of-flight secondary ion mass spectrometry (TOF-SIMS) and X-ray photoelectron spectroscopy (XPS). TOF-SIMS, a surface-sensitive analytical instrument with extremely high mass resolutions, provides information on specific amino acid-surface interactions. We used "principal component analysis (PCA)" to analyze the data. We also introduced a new multivariate technique, "hierarchical cluster analysis (HCA)" to organize the data into meaningful structures by measuring a degree of "similarity" and "dissimilarity" of the data. This report discusses a combined use of PCA and HCA to elucidate the binding specificity of GBP to Au. Based on the knowledge gained from TOF-SIMS measurements, we further investigated the nature of the interaction between selected amino acids and noble metal surfaces by using X-ray photoelectron spectroscopy (XPS). We developed a unique capability to introduce water vapor during the adsorption of a single amino acid and applied this method to study the intrinsic nature of sidechain/Au interactions. To further apply this unique research protocol, we characterized another type of GEPI, "quartz binding protein (QBP)," to identify the possible binding sites. This thesis research aims to provide experimental protocols for analyzing short peptide-substrate interface from complex spectroscopic data by using multivariate analysis techniques.

Compendium of Post-Failure Analysis Techniques for Composite Materials.

DTIC Science & Technology

1987-01-01

HHdrocarbon 285.0 Ether or alcohol 286.5 Ketone 288.0 Ester 288.8 (Ref. 5) Figure 3-37. Carbon Peak Shifts in XPS 5-B70227Rt -130 " Hydrocarbon...structure overlays composite material since neutrons are not as attenuated by metal as X-rays, and are relatively sensitive to poly - meric materials...Thermal Aging 3-18 Glass Transition Temperature Determination - 3-37 TMA Penetration Test Setup 3-19 Glass Transition Temperature Determination - 3-37 TMA

Properties of micro-arc oxidation coatings on aluminum alloy at different negative peak current densities

NASA Astrophysics Data System (ADS)

Gu, Xin; Jiang, Bailing; Li, Hongtao; Liu, Cancan; Shao, Lianlian

2018-05-01

Micro-arc oxidation coatings were fabricated on 6061 aluminum alloy using whereby bipolar pulse mode in the case of different negative peak current densities. The phase composition, microstructures and wear properties were studied using x-ray diffraction, scanning electron microscopy and ball-on-disk wear tester, respectively. As results indicate, by virtue of negative peak current density, the oxygen can be expelled by produced hydrogen on anode in the case of negative pulse width and via the opened discharge channel. The results of x-ray diffraction, surface and cross-sectional morphology indicated that the coating was structured compactly taking on less small-diameter micro-pores and defects with negative peak current density of 75 A dm‑2. Additionally, as the results of wear tracks and weight loss bespeak, by virtue of appropriate negative peak current density, coatings resisted the abrasive wear and showed excellent wear resistance.

Measuring peak expiratory flow in general practice: comparison of mini Wright peak flow meter and turbine spirometer.

PubMed Central

Jones, K P; Mullee, M A

1990-01-01

OBJECTIVE--To compare measurements of the peak expiratory flow rate taken by the mini Wright peak flow meter and the turbine spirometer. DESIGN--Pragmatic study with randomised order of use of recording instruments. Phase 1 compared a peak expiratory flow type expiration recorded by the mini Wright peak flow meter with an expiration to forced vital capacity recorded by the turbine spirometer. Phase 2 compared peak expiratory flow type expirations recorded by both meters. Reproducibility was assessed separately. SETTING--Routine surgeries at Aldermoor Health Centre, Southampton. SUBJECTS--212 Patients aged 4 to 78 presenting with asthma or obstructive airways disease. Each patient contributed only once to each phase (105 in phase 1, 107 in phase 2), but some entered both phases on separate occasions. Reproducibility was tested on a further 31 patients. MAIN OUTCOME MEASURE--95% Limits of agreement between measurements on the two meters. RESULTS--208 (98%) Of the readings taken by the mini Wright meter were higher than the corresponding readings taken by the turbine spirometer, but the 95% limits of agreement (mean difference (2 SD] were wide (1 to 173 l/min). Differences due to errors in reproducibility were not sufficient to predict this level of disagreement. Analysis by age, sex, order of use, and the type of expiration did not detect any significant differences. CONCLUSIONS--The two methods of measuring peak expiratory flow rate were not comparable. The mini Wright meter is likely to remain the preferred instrument in general practice. PMID:2142611

Hurricane Mitch: Peak Discharge for Selected River Reachesin Honduras

USGS Publications Warehouse

Smith, Mark E.; Phillips, Jeffrey V.; Spahr, Norman E.

2002-01-01

peak discharge are based on post-flood surveys of the river channel (observed high-water marks, cross sections, and hydraulic properties) and model computation of peak discharge. Determination of the flood peaks associated with Hurricane Mitch will help scientists understand the magnitude of this devastating hurricane. Peak-discharge information also is critical for the proper design of hydraulic structures (such as bridges and levees), delineation of theoretical flood boundaries, and development of stage-discharge relations at streamflow-monitoring sites.

Helping System Engineers Bridge the Peaks

NASA Technical Reports Server (NTRS)

Rungta, Neha; Tkachuk, Oksana; Person, Suzette; Biatek, Jason; Whalen, Michael W.; Castle, Joseph; Castle, JosephGundy-Burlet, Karen

2014-01-01

In our experience at NASA, system engineers generally follow the Twin Peaks approach when developing safety-critical systems. However, iterations between the peaks require considerable manual, and in some cases duplicate, effort. A significant part of the manual effort stems from the fact that requirements are written in English natural language rather than a formal notation. In this work, we propose an approach that enables system engineers to leverage formal requirements and automated test generation to streamline iterations, effectively "bridging the peaks". The key to the approach is a formal language notation that a) system engineers are comfortable with, b) is supported by a family of automated V&V tools, and c) is semantically rich enough to describe the requirements of interest. We believe the combination of formalizing requirements and providing tool support to automate the iterations will lead to a more efficient Twin Peaks implementation at NASA.

Monitoring N3 dye adsorption and desorption on TiO2 surfaces: a combined QCM-D and XPS study.

PubMed

Wayment-Steele, Hannah K; Johnson, Lewis E; Tian, Fangyuan; Dixon, Matthew C; Benz, Lauren; Johal, Malkiat S

2014-06-25

Understanding the kinetics of dye adsorption and desorption on semiconductors is crucial for optimizing the performance of dye-sensitized solar cells (DSSCs). Quartz crystal microbalance with dissipation monitoring (QCM-D) measures adsorbed mass in real time, allowing determination of binding kinetics. In this work, we characterize adsorption of the common RuBipy dye N3 to the native oxide layer of a planar, sputter-coated titanium surface, simulating the TiO2 substrate of a DSSC. We report adsorption equilibrium constants consistent with prior optical measurements of N3 adsorption. Dye binding and surface integrity were also verified by scanning electron microscopy, energy-dispersive X-ray spectroscopy, and X-ray photoelectron spectroscopy (XPS). We further study desorption of the dye from the native oxide layer on the QCM sensors using tetrabutylammonium hydroxide (TBAOH), a commonly used industrial desorbant. We find that using TBAOH as a desorbant does not fully regenerate the surface, though little ruthenium or nitrogen is observed by XPS after desorption, suggesting that carboxyl moieties of N3 remain bound. We demonstrate the native oxide layer of a titanium sensor as a valid and readily available planar TiO2 morphology to study dye adsorption and desorption and begin to investigate the mechanism of dye desorption in DSSCs, a system that requires further study.

KiDS-450: cosmological constraints from weak-lensing peak statistics - II: Inference from shear peaks using N-body simulations

NASA Astrophysics Data System (ADS)

Martinet, Nicolas; Schneider, Peter; Hildebrandt, Hendrik; Shan, HuanYuan; Asgari, Marika; Dietrich, Jörg P.; Harnois-Déraps, Joachim; Erben, Thomas; Grado, Aniello; Heymans, Catherine; Hoekstra, Henk; Klaes, Dominik; Kuijken, Konrad; Merten, Julian; Nakajima, Reiko

2018-02-01

We study the statistics of peaks in a weak-lensing reconstructed mass map of the first 450 deg2 of the Kilo Degree Survey (KiDS-450). The map is computed with aperture masses directly applied to the shear field with an NFW-like compensated filter. We compare the peak statistics in the observations with that of simulations for various cosmologies to constrain the cosmological parameter S_8 = σ _8 √{Ω _m/0.3}, which probes the (Ωm, σ8) plane perpendicularly to its main degeneracy. We estimate S8 = 0.750 ± 0.059, using peaks in the signal-to-noise range 0 ≤ S/N ≤ 4, and accounting for various systematics, such as multiplicative shear bias, mean redshift bias, baryon feedback, intrinsic alignment, and shear-position coupling. These constraints are ˜ 25 per cent tighter than the constraints from the high significance peaks alone (3 ≤ S/N ≤ 4) which typically trace single-massive haloes. This demonstrates the gain of information from low-S/N peaks. However, we find that including S/N < 0 peaks does not add further information. Our results are in good agreement with the tomographic shear two-point correlation function measurement in KiDS-450. Combining shear peaks with non-tomographic measurements of the shear two-point correlation functions yields a ˜20 per cent improvement in the uncertainty on S8 compared to the shear two-point correlation functions alone, highlighting the great potential of peaks as a cosmological probe.

Pressure Effect on the Boson Peak in Deeply Cooled Confined Water: Evidence of a Liquid-Liquid Transition.

PubMed

Wang, Zhe; Kolesnikov, Alexander I; Ito, Kanae; Podlesnyak, Andrey; Chen, Sow-Hsin

2015-12-04

The boson peak in deeply cooled water confined in nanopores is studied to examine the liquid-liquid transition (LLT). Below ∼180  K, the boson peaks at pressures P higher than ∼3.5  kbar are evidently distinct from those at low pressures by higher mean frequencies and lower heights. Moreover, the higher-P boson peaks can be rescaled to a master curve while the lower-P boson peaks can be rescaled to a different one. These phenomena agree with the existence of two liquid phases with different densities and local structures and the associated LLT in the measured (P, T) region. In addition, the P dependence of the librational band also agrees with the above conclusion.

Pressure Effect on the Boson Peak in Deeply Cooled Confined Water: Evidence of a Liquid-Liquid Transition

DOE PAGES

Wang, Zhe; Kolesnikov, Alexander I.; Ito, Kanae; ...

2015-12-03

We studied the boson peak in deeply cooled water confined in nanopores in order to examine the liquid-liquid transition (LLT). Below ~180 K, the boson peaks at pressures P higher than ~3.5 kbar are evidently distinct from those at low pressures by higher mean frequencies and lower heights. Moreover, the higher-P boson peaks can be rescaled to a master curve while the lower-P boson peaks can be rescaled to a different one. Moreover, these phenomena agree with the existence of two liquid phases with different densities and local structures and the associated LLT in the measured (P, T) region. Additionally,more » the P dependence of the librational band also agrees with the above conclusion.« less

Achieving high peak capacity production for gas chromatography and comprehensive two-dimensional gas chromatography by minimizing off-column peak broadening.

PubMed

Wilson, Ryan B; Siegler, W Christopher; Hoggard, Jamin C; Fitz, Brian D; Nadeau, Jeremy S; Synovec, Robert E

2011-05-27

By taking into consideration band broadening theory and using those results to select experimental conditions, and also by reducing the injection pulse width, peak capacity production (i.e., peak capacity per separation time) is substantially improved for one dimensional (1D-GC) and comprehensive two dimensional (GC×GC) gas chromatography. A theoretical framework for determining the optimal linear gas velocity (the linear gas velocity producing the minimum H), from experimental parameters provides an in-depth understanding of the potential for GC separations in the absence of extra-column band broadening. The extra-column band broadening is referred to herein as off-column band broadening since it is additional band broadening not due to the on-column separation processes. The theory provides the basis to experimentally evaluate and improve temperature programmed 1D-GC separations, but in order to do so with a commercial 1D-GC instrument platform, off-column band broadening from injection and detection needed to be significantly reduced. Specifically for injection, a resistively heated transfer line is coupled to a high-speed diaphragm valve to provide a suitable injection pulse width (referred to herein as modified injection). Additionally, flame ionization detection (FID) was modified to provide a data collection rate of 5kHz. The use of long, relatively narrow open tubular capillary columns and a 40°C/min programming rate were explored for 1D-GC, specifically a 40m, 180μm i.d. capillary column operated at or above the optimal average linear gas velocity. Injection using standard auto-injection with a 1:400 split resulted in an average peak width of ∼1.5s, hence a peak capacity production of 40peaks/min. In contrast, use of modified injection produced ∼500ms peak widths for 1D-GC, i.e., a peak capacity production of 120peaks/min (a 3-fold improvement over standard auto-injection). Implementation of modified injection resulted in retention time, peak width

Kondo peak splitting and Kondo dip in single molecular magnet junctions

NASA Astrophysics Data System (ADS)

Niu, Pengbin; Shi, Yunlong; Sun, Zhu; Nie, Yi-Hang; Luo, Hong-Gang

2016-01-01

Many factors containing bias, spin-orbit coupling, magnetic fields applied, and so on can strongly influence the Kondo effect, and one of the consequences is Kondo peak splitting (KPS). It is natural that KPS should also appear when another spin degree of freedom is involved. In this work we study the KPS effects of single molecular magnets (SMM) coupled with two metallic leads in low-temperature regime. It is found that the Kondo transport properties are strongly influenced by the exchange coupling and anisotropy of the magnetic core. By employing Green's function method in Hubbard operator representation, we give an analytical expression for local retarded Green's function of SMM and discussed its low-temperature transport properties. We find that the anisotropy term behaves as a magnetic field and the splitting behavior of exchange coupling is quite similar to the spin-orbit coupling. These splitting behaviors are explained by introducing inter-level or intra-level transitions, which account for the seven-peak splitting structure. Moreover, we find a Kondo dip at Fermi level under proper parameters. These Kondo peak splitting behaviors in SMM deepen our understanding to Kondo physics and should be observed in the future experiments.

Electronic structure of rare-earth chromium antimonides RECrSb{sub 3} (RE=La-Nd, Sm, Gd-Dy, Yb) by X-ray photoelectron spectroscopy

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

Crerar, Shane J.; Mar, Arthur, E-mail: arthur.mar@ualberta.ca; Grosvenor, Andrew P.

The electronic structure of the ternary rare-earth chromium antimonides RECrSb{sub 3} (RE=La-Nd, Sm, Gd-Dy, Yb) has been examined by high-resolution X-ray photoelectron spectroscopy (XPS) for the first time. The RE 3d or 4d core-line spectra are substantially complicated by the presence of satellite peaks but their general resemblance to those of RE{sub 2}O{sub 3} tends to support the presence of trivalent RE atoms in RECrSb{sub 3}. However, the Yb 4d spectrum of YbCrSb{sub 3} also shows peaks that are characteristic of divalent ytterbium. The Cr 2p core-line spectra exhibit asymmetric lineshapes and little change in binding energy (BE) relative tomore » Cr metal, providing strong evidence for electronic delocalization. The Sb 3d core-line spectra reveal slightly negative BE shifts relative to elemental antimony, supporting the presence of anionic Sb species in RECrSb{sub 3}. The experimental valence band spectrum of LaCrSb{sub 3} matches well with the calculated density of states, and it can be fitted to component peaks belonging to individual atoms to yield an average formulation that agrees well with expectations ('La{sup 3+}Cr{sup 3+}(Sb{sup 2-}){sub 3}'). On progressing from LaCrSb{sub 3} to NdCrSb{sub 3}, the 4f-band in the valence band spectra grows in intensity and shifts to higher BE. The valence band spectrum for YbCrSb{sub 3} also supports the presence of divalent ytterbium. - Graphical Abstract: In their valence band spectra, the 4f-band intensifies and shifts to higher BE on progressing from LaCrSb{sub 3} to NdCrSb{sub 3}. Highlights: Black-Right-Pointing-Pointer High-resolution core-line and valence band XPS spectra were measured for RECrSb{sub 3}. Black-Right-Pointing-Pointer Divalent Yb is present in YbCrSb{sub 3}, in contrast to trivalent RE in other members. Black-Right-Pointing-Pointer Asymmetric Cr 2p spectral lineshape confirms delocalization of Cr valence electrons. Black-Right-Pointing-Pointer Small negative Sb 3d BE shifts support

Lattice and Valence Electronic Structures of Crystalline Octahedral Molybdenum Halide Clusters-Based Compounds, Cs2[Mo6X14] (X = Cl, Br, I), Studied by Density Functional Theory Calculations.

PubMed

Saito, Norio; Cordier, Stéphane; Lemoine, Pierric; Ohsawa, Takeo; Wada, Yoshiki; Grasset, Fabien; Cross, Jeffrey S; Ohashi, Naoki

2017-06-05

The electronic and crystal structures of Cs 2 [Mo 6 X 14 ] (X = Cl, Br, I) cluster-based compounds were investigated by density functional theory (DFT) simulations and experimental methods such as powder X-ray diffraction, ultraviolet-visible spectroscopy, and X-ray photoemission spectroscopy (XPS). The experimentally determined lattice parameters were in good agreement with theoretically optimized ones, indicating the usefulness of DFT calculations for the structural investigation of these clusters. The calculated band gaps of these compounds reproduced those experimentally determined by UV-vis reflectance within an error of a few tenths of an eV. Core-level XPS and effective charge analyses indicated bonding states of the halogens changed according to their sites. The XPS valence spectra were fairly well reproduced by simulations based on the projected electron density of states weighted with cross sections of Al K α , suggesting that DFT calculations can predict the electronic properties of metal-cluster-based crystals with good accuracy.

INDIAN PEAKS WILDERNESS, COLORADO.

USGS Publications Warehouse

Pearson, Robert C.; Speltz, Charles N.

1984-01-01

The Indian Peaks Wilderness northwest of Denver is partly within the Colorado Mineral Belt, and the southeast part of it contains all the geologic characteristics associated with the several nearby mining districts. Two deposits have demonstrated mineral resources, one of copper and the other of uranium; both are surrounded by areas with probable potential. Two other areas have probable resource potential for copper, gold, and possibly molydenum. Detailed gravity and magnetic studies in the southeast part of the Indian Peaks Wilderness might detect in the subsurface igneous bodies that may be mineralized. Physical exploration such as drilling would be necessary to determine more precisely the copper resources at the Roaring Fork locality and uranium resources at Wheeler Basin.

Compositional depth profile of a native oxide LPCVD MNOS structure using X-ray photoelectron spectroscopy and chemical etching

NASA Technical Reports Server (NTRS)

Wurzbach, J. A.; Grunthaner, F. J.

1983-01-01

It is pointed out that there is no report of an unambiguous analysis of the composition and interfacial structure of MNOS (metal-nitride oxide semiconductor) systems, despite the technological importance of these systems. The present investigation is concerned with a study of an MNOS structure on the basis of a technique involving the use of X-ray photoelectron spectroscopy (XPS) with a controlled stopped-flow chemical-etching procedure. XPS is sensitive to the structure of surface layers, while stopped-flow etching permits the controlled removal of overlying material on a scale of atomic layers, to expose new surface layers as a function of thickness. Therefore, with careful analysis of observed intensities at measured depths, this combination of techniques provides depth resolution between 5 and 10 A. According to the obtained data there is intact SiO2 at the substrate interface. There appears to be a thin layer containing excess bonds to silicon on top of the SiO2.

More reliable protein NMR peak assignment via improved 2-interval scheduling.

PubMed

Chen, Zhi-Zhong; Lin, Guohui; Rizzi, Romeo; Wen, Jianjun; Xu, Dong; Xu, Ying; Jiang, Tao

2005-03-01

Protein NMR peak assignment refers to the process of assigning a group of "spin systems" obtained experimentally to a protein sequence of amino acids. The automation of this process is still an unsolved and challenging problem in NMR protein structure determination. Recently, protein NMR peak assignment has been formulated as an interval scheduling problem (ISP), where a protein sequence P of amino acids is viewed as a discrete time interval I (the amino acids on P one-to-one correspond to the time units of I), each subset S of spin systems that are known to originate from consecutive amino acids from P is viewed as a "job" j(s), the preference of assigning S to a subsequence P of consecutive amino acids on P is viewed as the profit of executing job j(s) in the subinterval of I corresponding to P, and the goal is to maximize the total profit of executing the jobs (on a single machine) during I. The interval scheduling problem is max SNP-hard in general; but in the real practice of protein NMR peak assignment, each job j(s) usually requires at most 10 consecutive time units, and typically the jobs that require one or two consecutive time units are the most difficult to assign/schedule. In order to solve these most difficult assignments, we present an efficient 13/7-approximation algorithm for the special case of the interval scheduling problem where each job takes one or two consecutive time units. Combining this algorithm with a greedy filtering strategy for handling long jobs (i.e., jobs that need more than two consecutive time units), we obtain a new efficient heuristic for protein NMR peak assignment. Our experimental study shows that the new heuristic produces the best peak assignment in most of the cases, compared with the NMR peak assignment algorithms in the recent literature. The above algorithm is also the first approximation algorithm for a nontrivial case of the well-known interval scheduling problem that breaks the ratio 2 barrier.

Twin Peaks (B/W)

NASA Technical Reports Server (NTRS)

1997-01-01

The Twin Peaks are modest-size hills to the southwest of the Mars Pathfinder landing site. They were discovered on the first panoramas taken by the IMP camera on the 4th of July, 1997, and subsequently identified in Viking Orbiter images taken over 20 years ago. The peaks are approximately 30-35 meters (-100 feet) tall. North Twin is approximately 860 meters (2800 feet) from the lander, and South Twin is about a kilometer away (3300 feet). The scene includes bouldery ridges and swales or 'hummocks' of flood debris that range from a few tens of meters away from the lander to the distance of the South Twin Peak. The large rock at the right edge of the scene is nicknamed 'Hippo'. This rock is about a meter (3 feet) across and 25 meters (80 feet) distant.

Mars Pathfinder is the second in NASA's Discovery program of low-cost spacecraft with highly focused science goals. The Jet Propulsion Laboratory, Pasadena, CA, developed and manages the Mars Pathfinder mission for NASA's Office of Space Science, Washington, D.C. JPL is a division of the California Institute of Technology (Caltech). The IMP was developed by the University of Arizona Lunar and Planetary Laboratory under contract to JPL. Peter Smith is the Principal Investigator.

Methods for estimating the magnitude and frequency of peak streamflows for unregulated streams in Oklahoma

USGS Publications Warehouse

Lewis, Jason M.

2010-01-01

Peak-streamflow regression equations were determined for estimating flows with exceedance probabilities from 50 to 0.2 percent for the state of Oklahoma. These regression equations incorporate basin characteristics to estimate peak-streamflow magnitude and frequency throughout the state by use of a generalized least squares regression analysis. The most statistically significant independent variables required to estimate peak-streamflow magnitude and frequency for unregulated streams in Oklahoma are contributing drainage area, mean-annual precipitation, and main-channel slope. The regression equations are applicable for watershed basins with drainage areas less than 2,510 square miles that are not affected by regulation. The resulting regression equations had a standard model error ranging from 31 to 46 percent. Annual-maximum peak flows observed at 231 streamflow-gaging stations through water year 2008 were used for the regression analysis. Gage peak-streamflow estimates were used from previous work unless 2008 gaging-station data were available, in which new peak-streamflow estimates were calculated. The U.S. Geological Survey StreamStats web application was used to obtain the independent variables required for the peak-streamflow regression equations. Limitations on the use of the regression equations and the reliability of regression estimates for natural unregulated streams are described. Log-Pearson Type III analysis information, basin and climate characteristics, and the peak-streamflow frequency estimates for the 231 gaging stations in and near Oklahoma are listed. Methodologies are presented to estimate peak streamflows at ungaged sites by using estimates from gaging stations on unregulated streams. For ungaged sites on urban streams and streams regulated by small floodwater retarding structures, an adjustment of the statewide regression equations for natural unregulated streams can be used to estimate peak-streamflow magnitude and frequency.

Elucidating the resistance to failure under tribological tests of various boron-based films by XPS and ToF-SIMS

NASA Astrophysics Data System (ADS)

Spadaro, F.; Rossi, A.; Lainé, E.; Woodward, P.; Spencer, N. D.

2017-12-01

Tribotests performed on boron-based thermal films have revealed higher mechanical durability and lower wear coefficients compared to results from tests performed on boron-free thermal films. In the current study, in order to follow and identify the tribochemical reactions taking place in the contact regions, post-characterization has been carried out on the steel ball and on the steel disc. The techniques adopted to achieve this goal were small-area X-ray photoelectron spectroscopy (XPS) and time-of-flight secondary-ion mass spectroscopy (ToF-SIMS). The contact areas have been investigated before and after failure of the thermal films, revealing thermal-film removal inside the wear track on the disc and the presence of a transfer film in the contact area on the steel ball following tribotesting. Furthermore, borate contributions in the deeper layers within the tribo-stressed area on the disc were revealed at the end of the tribotest. These procedures shed light on the tribomechanical and tribochemical reactions taking place in the contact region, on the ability of boron species to sustain tribological stress and provide mechanical stability, and on the mechanical-mixing processes occurring within the sliding contacts. The mass spectra collected before tribotesting on all thermal films suggest the presence of phosphate- and borate-containing structures.

Fast Metabolite Identification in Nuclear Magnetic Resonance Metabolomic Studies: Statistical Peak Sorting and Peak Overlap Detection for More Reliable Database Queries.

PubMed

Hoijemberg, Pablo A; Pelczer, István

2018-01-05

A lot of time is spent by researchers in the identification of metabolites in NMR-based metabolomic studies. The usual metabolite identification starts employing public or commercial databases to match chemical shifts thought to belong to a given compound. Statistical total correlation spectroscopy (STOCSY), in use for more than a decade, speeds the process by finding statistical correlations among peaks, being able to create a better peak list as input for the database query. However, the (normally not automated) analysis becomes challenging due to the intrinsic issue of peak overlap, where correlations of more than one compound appear in the STOCSY trace. Here we present a fully automated methodology that analyzes all STOCSY traces at once (every peak is chosen as driver peak) and overcomes the peak overlap obstacle. Peak overlap detection by clustering analysis and sorting of traces (POD-CAST) first creates an overlap matrix from the STOCSY traces, then clusters the overlap traces based on their similarity and finally calculates a cumulative overlap index (COI) to account for both strong and intermediate correlations. This information is gathered in one plot to help the user identify the groups of peaks that would belong to a single molecule and perform a more reliable database query. The simultaneous examination of all traces reduces the time of analysis, compared to viewing STOCSY traces by pairs or small groups, and condenses the redundant information in the 2D STOCSY matrix into bands containing similar traces. The COI helps in the detection of overlapping peaks, which can be added to the peak list from another cross-correlated band. POD-CAST overcomes the generally overlooked and underestimated presence of overlapping peaks and it detects them to include them in the search of all compounds contributing to the peak overlap, enabling the user to accelerate the metabolite identification process with more successful database queries and searching all tentative

Experimental evidences for molecular origin of low-Q peak in neutron/x-ray scattering of 1-alkyl-3-methylimidazolium bis(trifluoromethanesulfonyl)amide ionic liquids

NASA Astrophysics Data System (ADS)

Fujii, Kenta; Kanzaki, Ryo; Takamuku, Toshiyuki; Kameda, Yasuo; Kohara, Shinji; Kanakubo, Mitsuhiro; Shibayama, Mitsuhiro; Ishiguro, Shin-ichi; Umebayashi, Yasuhiro

2011-12-01

Short- and long-range liquid structures of [CnmIm+][TFSA-] with n = 2, 4, 6, 8, 10, and 12 have been studied by high-energy x-ray diffraction (HEXRD) and small-angle neutron scattering (SANS) experiments with the aid of MD simulations. Observed x-ray structure factor, S(Q), for the ionic liquids with the alkyl-chain length n > 6 exhibited a characteristic peak in the low-Q range of 0.2-0.4 Å -1, indicating the heterogeneity of their ionic liquids. SANS profiles IH(Q) and ID(Q) for the normal and the alkyl group deuterated ionic liquids, respectively, showed significant peaks for n = 10 and 12 without no form factor component for large spherical or spheroidal aggregates like micelles in solution. The peaks for n = 10 and 12 evidently disappeared in the difference SANS profiles ΔI(Q) [=ID(Q) - IH(Q)], although that for n = 12 slightly remained. This suggests that the long-range correlations originated from the alkyl groups hardly contribute to the low-Q peak intensity in SANS. To reveal molecular origin of the low-Q peak, we introduce here a new function; x-ray structure factor intensity at a given Q as a function of r, SQpeak(r). The SQpeak(r) function suggests that the observed low-Q peak intensity depending on n is originated from liquid structures at two r-region of 5-8 and 8-15 Å for all ionic liquids examined except for n = 12. Atomistic MD simulations are consistent with the HEXRD and SANS experiments, and then we discussed the relationship between both variations of low-Q peak and real-space structure with lengthening the alkyl group of the CnmIm.

Probabilistic peak detection for first-order chromatographic data.

PubMed

Lopatka, M; Vivó-Truyols, G; Sjerps, M J

2014-03-19

We present a novel algorithm for probabilistic peak detection in first-order chromatographic data. Unlike conventional methods that deliver a binary answer pertaining to the expected presence or absence of a chromatographic peak, our method calculates the probability of a point being affected by such a peak. The algorithm makes use of chromatographic information (i.e. the expected width of a single peak and the standard deviation of baseline noise). As prior information of the existence of a peak in a chromatographic run, we make use of the statistical overlap theory. We formulate an exhaustive set of mutually exclusive hypotheses concerning presence or absence of different peak configurations. These models are evaluated by fitting a segment of chromatographic data by least-squares. The evaluation of these competing hypotheses can be performed as a Bayesian inferential task. We outline the potential advantages of adopting this approach for peak detection and provide several examples of both improved performance and increased flexibility afforded by our approach. Copyright © 2014 Elsevier B.V. All rights reserved.

Identification of the silver state in the framework of Ag-containing zeolite by XRD, FTIR, photoluminescence, 109Ag NMR, EPR, DR UV-vis, TEM and XPS investigations.

PubMed

Popovych, Nataliia; Kyriienko, Pavlo; Soloviev, Sergiy; Baran, Rafal; Millot, Yannick; Dzwigaj, Stanislaw

2016-10-26

Silver has been identified in the framework of Ag x SiBEA zeolites (where x = 3-6 Ag wt%) by the combined use of XRD, 109 Ag MAS NMR, FTIR, diffuse reflectance UV-visible, EPR and XPS spectroscopy. The incorporation of Ag ions into the framework of SiBEA zeolite has been evidenced by XRD. The consumption of OH groups as a result of their reaction with the silver precursor has been monitored by FTIR and photoluminescence spectroscopy. The changes in the silver state as a function of Ag content and thermal and hydrogen treatment at 573 K have been identified by 109 Ag MAS NMR, EPR, DR UV-visible, TEM and XPS investigations. The acidity of AgSiBEA has been investigated by FTIR spectroscopy of adsorbed CO and pyridine used as probe molecules.

Techniques for estimating flood peak discharges for unregulated streams and streams regulated by small floodwater retarding structures in Oklahoma

USGS Publications Warehouse

Tortorelli, R.L.; Bergman, D.L.

1985-01-01

Statewide regression relations for Oklahoma were determined for estimating peak discharge of floods for selected recurrence intervals from 2 to 500 years. The independent variables required for estimating flood discharge for rural streams are contributing drainage area and mean annual precipitation. Main-channel slope, a variable used in previous reports, was found to contribute very little to the accuracy of the relations and was not used. The regression equations are applicable for watersheds with drainage areas less than 2,500 square miles that are not significantly affected by regulation from manmade works. These relations are presented in graphical form for easy application. Limitations on the use of the regression relations and the reliability of regression estimates for rural unregulated streams are discussed. Basin and climatic characteristics, log-Pearson Type III statistics and the flood-frequency relations for 226 gaging stations in Oklahoma and adjacent states are presented. Regression relations are investigated for estimating flood magnitude and frequency for watersheds affected by regulation from small FRS (floodwater retarding structures) built by the U.S. Soil Conservation Service in their watershed protection and flood prevention program. Gaging-station data from nine FRS regulated sites in Oklahoma and one FRS regulated site in Kansas are used. For sites regulated by FRS, an adjustment of the statewide rural regression relations can be used to estimate flood magnitude and frequency. The statewide regression equations are used by substituting the drainage area below the FRS, or drainage area that represents the percent of the basin unregulated, in the contributing drainage area parameter to obtain flood-frequency estimates. Flood-frequency curves and flow-duration curves are presented for five gaged sites to illustrate the effects of FRS regulation on peak discharge.

[Identification of impurity peaks in the HPLC chromatogram by LC-MS and two-dimensional chromatographic correlation spectroscopy].

PubMed

Chen, Zhen-Zhen; Zhang, Dou-Sheng; Wang, Nan; Feng, Fang; Hu, Chang-Qin

2012-04-01

A novel qualitative analytical method by using two-dimensional chromatographic correlation spectroscopy techniques for recognizing impurity peaks of HPLC methods of quality control and LC-MS chromatographic system was established. The structures of major degradation products of ceftizoxime and cefdinir were identified by LC-MS and MassWorks application; the standard chromatographic and spectral data of the degradation impurities were obtained by high-performance liquid chromatography with diode array detection. The impurity peaks of two-dimensional chromatography were matched by comparison of spectra and calculating correlation coefficients. Peaks in chromatography can be identified accurately and rapidly in different chromatographic systems such as column and mobile phase changed. The method provides a new way and thought to identify the peaks in quality control of impurities without reference impurity substances.

Peak Wind Tool for General Forecasting

NASA Technical Reports Server (NTRS)

Barrett, Joe H., III; Short, David

2008-01-01

This report describes work done by the Applied Meteorology Unit (AMU) in predicting peak winds at Kennedy Space Center (KSC) and Cape Canaveral Air Force Station (CCAFS). The 45th Weather Squadron requested the AMU develop a tool to help them forecast the speed and timing of the daily peak and average wind, from the surface to 300 ft on KSC/CCAFS during the cool season. Based on observations from the KSC/CCAFS wind tower network , Shuttle Landing Facility (SLF) surface observations, and CCAFS sounding s from the cool season months of October 2002 to February 2007, the AMU created mul tiple linear regression equations to predict the timing and speed of the daily peak wind speed, as well as the background average wind speed. Several possible predictors were evaluated, including persistence , the temperature inversion depth and strength, wind speed at the top of the inversion, wind gust factor (ratio of peak wind speed to average wind speed), synoptic weather pattern, occurrence of precipitation at the SLF, and strongest wind in the lowest 3000 ft, 4000 ft, or 5000 ft.

Applications of High Throughput (Combinatorial) Methodologies to Electronic, Magnetic, Optical, and Energy-Related Materials

DTIC Science & Technology

2013-06-17

of the films without having to fabricate capacitors. In addition, the use of X - ray diffraction (XRD) analysis enabled Chikyow et al.40 to identify an...effects of Al doping and annealing on the thermal stabil- ity of the Y2O3/Si gate stack were studied by X - ray photoemission spectroscopy (XPS) and X - ray ...the major diffraction features in the phase distribution. For a given structural phase, the X - ray peak intensity allows one to track the compositional

Structural studies of a green-emitting terbium doped calcium zinc phosphate phosphor

NASA Astrophysics Data System (ADS)

Ramesh, B.; Dillip, G. R.; Rambabu, B.; Joo, S. W.; Raju, B. Deva Prasad

2018-03-01

In this study, a new green emitting CaZn2(PO4)2:Tb3+ phosphors were synthesized through solid-state reaction route. The phosphors were characterized structurally by X-ray diffraction, Fourier transform infrared spectroscopy (FTIR) and X-ray photoelectron spectroscopy (XPS). All the synthesized phosphors were crystallized in triclinic crystal structure with P 1 bar space group. The phosphate groups in the phosphors were confirmed by FTIR analysis. The surface elements O 1s, P 2p, Ca 2p, Zn 2p and Tb 3d were studied by high-resolution XPS spectra. Upon excitation at 378 nm, the dominant green emission of CaZn2(PO4)2:Tb3+ phosphors at 542 nm were noticed in the emission spectra. For various emission wavelengths (at 435 and 489 nm) and constant excitation wavelength (at 378 nm), the decay curves have shown two different decay dynamics of phosphors. The lighting properties such as Commission International de l'Eclairage (x = 0.319, y = 0.398) and color temperature (5995 K) were calculated.

Interfacial chemistry of a perfluoropolyether lubricant studied by XPS and TDS

NASA Technical Reports Server (NTRS)

Herrera-Fierro, Pilar C.; Jones, William R., Jr.; Pepper, Stephen V.

1992-01-01

The interfacial chemistry of Fomblin Z25, a commercial perfluoropolyether used as lubricant for space applications, with different metallic surfaces: 440C steel, gold and aluminum was studied. Thin layers of Fomblin Z25 were evaporated onto the oxide-free substrates and the interfacial chemistry studied using XPS and TDS. The reactions were induced by heating the substrate and by rubbing the substrate with a steel ball. Gold was found to be completely unreactive towards Fomblin at any temperature. Reaction at room temperature was observed only in the case of the aluminum substrate, the most reactive towards Fomblin Z25 of the substrates studied. It was necessary to heat the 440C steel substrate to 190 degree C to induce decomposition of the fluid. The degradation of the fluid was indicated by the formation of a debris layer at the interface. This debris layer, composed of inorganic and organic reaction products, when completely formed, passivated the surface from further attack to the Fromblin on top. The tribologically induced reactions on 440C steel formed a debris layer of similar chemical characteristics to the thermally induced layer. In all cases, the degradation reaction resulted in preferential consumption of the difluoroformyl carbon (-OCF2O-).

Changes in Manipulative Peak Force Modulation and Time to Peak Thrust among First-Year Chiropractic Students Following a 12-Week Detraining Period.

PubMed

Starmer, David J; Guist, Brett P; Tuff, Taylor R; Warren, Sarah C; Williams, Matthew G R

2016-05-01

The purpose of this study was to analyze differences in peak force modulation and time-to-peak thrust in posterior-to-anterior (PA) high-velocity-low-amplitude (HVLA) manipulations in first-year chiropractic students prior to and following a 12-week detraining period. Chiropractic students (n=125) performed 2 thrusts prior to and following a 12-week detraining period: total peak force targets were 400 and 600 N, on a force-sensing table using a PA hand contact of the participant's choice (bilateral hypothenar, bilateral thenar, or cross bilateral). Force modulation was compared to defined target total peak force values of 600 and 400 N, and time-to-peak thrust was compared between data sets using 2-tailed paired t-tests. Total peak force for the 600 N intensity varied by 124.11 + 65.77 N during the pre-test and 123.29 + 61.43 N during the post-test compared to the defined target of 600 N (P = .90); total peak force for the 400 N intensity varied by 44.91 + 34.67 N during the pre-test and 44.60 + 32.63 N during the post-test compared to the defined target of 400 N (P = .57). Time-to-peak thrust for the 400 N total peak force was 137.094 + 42.47 milliseconds during the pre-test and 125.385 + 37.46 milliseconds during the post-test (P = .0004); time-to-peak thrust for the 600 N total peak force was 136.835 + 40.48 milliseconds during the pre-test and 125.385 + 33.78 milliseconds during the post-test (P = .03). The results indicate no drop-off in the ability to modulate force for either thrust intensity, but did indicate a statistically significant change in time-to-peak thrust for the 400 N total peak force thrust intensity in first-year chiropractic students following a 12-week detraining period. Copyright © 2016 National University of Health Sciences. Published by Elsevier Inc. All rights reserved.

Highly efficient removal of heavy metals by polymer-supported nanosized hydrated Fe(III) oxides: behavior and XPS study.

PubMed

Pan, Bingjun; Qiu, Hui; Pan, Bingcai; Nie, Guangze; Xiao, Lili; Lv, Lu; Zhang, Weiming; Zhang, Quanxing; Zheng, Shourong

2010-02-01

The present study developed a polymer-based hybrid sorbent (HFO-001) for highly efficient removal of heavy metals [e.g., Pb(II), Cd(II), and Cu(II)] by irreversibly impregnating hydrated Fe(III) oxide (HFO) nanoparticles within a cation-exchange resin D-001 (R-SO(3)Na), and revealed the underlying mechanism based on X-ray photoelectron spectroscopy (XPS) study. HFO-001 combines the excellent handling, flow characteristics, and attrition resistance of conventional cation-exchange resins with the specific affinity of HFOs toward heavy metal cations. As compared to D-001, sorption selectivity of HFO-001 toward Pb(II), Cu(II), and Cd(II) was greatly improved from the Ca(II) competition at greater concentration. Column sorption results indicated that the working capacity of HFO-001 was about 4-6 times more than D-001 with respect to removal of three heavy metals from simulated electroplating water (pH approximately 4.0). Also, HFO-001 is particularly effective in removing trace Pb(II) and Cd(II) from simulated natural waters to meet the drinking water standard, with treatment volume orders of magnitude higher than D-001. The superior performance of HFO-001 was attributed to the Donnan membrane effect exerted by the host D-001 as well as to the impregnated HFO nanoparticles of specific interaction toward heavy metal cations, as further confirmed by XPS study on lead sorption. More attractively, the exhausted HFO-001 beads can be effectively regenerated by HCl-NaCl solution (pH 3) for repeated use without any significant capacity loss. (c) 2009 Elsevier Ltd. All rights reserved.

Tycho Crater's Peak

NASA Image and Video Library

2011-06-29

NASA image release June 30, 2011 On June 10, 2011, NASA's Lunar Reconnaissance Orbiter captured a dramatic sunrise view of Tycho crater. A very popular target with amateur astronomers, Tycho is located at 43.37°S, 348.68°E, and is about 51 miles (82 km) in diameter. The summit of the central peak is 1.24 miles (2 km) above the crater floor. The distance from Tycho's floor to its rim is about 2.92 miles (4.7 km). Tycho crater's central peak complex, shown here, is about 9.3 miles (15 km) wide, left to right (southeast to northwest in this view). › More information and related images › NASA's LRO website Credit: NASA Goddard/Arizona State University NASA Goddard Space Flight Center enables NASA’s mission through four scientific endeavors: Earth Science, Heliophysics, Solar System Exploration, and Astrophysics. Goddard plays a leading role in NASA’s accomplishments by contributing compelling scientific knowledge to advance the Agency’s mission. Follow us on Twitter Like us on Facebook Find us on Instagram

A combined ToF-SIMS and XPS study for the elucidation of the role of water in the performances of a Post-Plasma Process using LaMnO3+δ as catalyst in the total oxidation of trichloroethylene

NASA Astrophysics Data System (ADS)

Nuns, N.; Beaurain, A.; Dinh, M. T. Nguyen; Vandenbroucke, A.; De Geyter, N.; Morent, R.; Leys, C.; Giraudon, J.-M.; Lamonier, J.-F.

2014-11-01

LaMnO3+δ which is an environment-friendly and inexpensive material has been previously used as catalyst in Post-Plasma Catalysis (PPC) in the total oxidation of trichloroethylene (TCE) which is a solvent widely used in dry cleaning and degreasing processes. It has been shown that the process efficiency increases in moist air (RH = 18%).The issue we want to address herein is the effect of water on the location of chlorine at the surface of the catalyst as chlorine is able to alter the catalyst structure, activity and stability. Therefore, a combined Time of Flight-Secondary Ion Mass Spectrometry (ToF-SIMS) and X-ray Photoelectron Spectroscopy (XPS) study has been carried out on the fresh LaMnO3+δ catalyst (LM) and used catalysts after performing PPC with TCE diluted in dry synthetic air (LM0) or with industrial air containing water (LM18; 18 stands for the Relative Humidity) and CO2 (about 560 ppmv) at a temperature of 150 °C. XPS and ToF-SIMS results both show the presence of chlorine on the tested catalysts whose amount increases by exposure of the catalyst to the reactive mixture in dry synthetic air. XPS results reveal that chlorine is present as both chloride ion and covalent chlorine on LM0 while organic chlorinated residues are absent on LM18 catalyst. ToF-SIMS study indicates that lanthanum excess as oxide(hydroxide) partially covering the perovskite mainly transforms into LaOCl and to a minor extent into LaCl3. Extent of Mn chlorination seems to be favored over LM0 having a higher MnClx±/MnOCl± ionic ratio compared to LM18. Furthermore ToF-SIMS clearly identifies C1 chlorinated organic ions, mainly CH2Cl+ and CHCl2-, on LM0 which may contribute to the XPS Cl organic component. From the combined ToF-SIMS and XPS results it is found that water delays the surface degradation extent of the perovskite into related (oxy)(hydroxy)chlorinated inorganic phases by less molecular chlorine and related chlorine species on the catalyst surface. A reaction scheme of

Peak Oil, Peak Coal and Climate Change

NASA Astrophysics Data System (ADS)

Murray, J. W.

2009-05-01

Research on future climate change is driven by the family of scenarios developed for the IPCC assessment reports. These scenarios create projections of future energy demand using different story lines consisting of government policies, population projections, and economic models. None of these scenarios consider resources to be limiting. In many of these scenarios oil production is still increasing to 2100. Resource limitation (in a geological sense) is a real possibility that needs more serious consideration. The concept of 'Peak Oil' has been discussed since M. King Hubbert proposed in 1956 that US oil production would peak in 1970. His prediction was accurate. This concept is about production rate not reserves. For many oil producing countries (and all OPEC countries) reserves are closely guarded state secrets and appear to be overstated. Claims that the reserves are 'proven' cannot be independently verified. Hubbert's Linearization Model can be used to predict when half the ultimate oil will be produced and what the ultimate total cumulative production (Qt) will be. US oil production can be used as an example. This conceptual model shows that 90% of the ultimate US oil production (Qt = 225 billion barrels) will have occurred by 2011. This approach can then be used to suggest that total global production will be about 2200 billion barrels and that the half way point will be reached by about 2010. This amount is about 5 to 7 times less than assumed by the IPCC scenarios. The decline of Non-OPEC oil production appears to have started in 2004. Of the OPEC countries, only Saudi Arabia may have spare capacity, but even that is uncertain, because of lack of data transparency. The concept of 'Peak Coal' is more controversial, but even the US National Academy Report in 2007 concluded only a small fraction of previously estimated reserves in the US are actually minable reserves and that US reserves should be reassessed using modern methods. British coal production can be

A naked eye refractive index sensor with a visible multiple peak metamaterial absorber.

PubMed

Ma, Heli; Song, Kun; Zhou, Liang; Zhao, Xiaopeng

2015-03-26

We report a naked eye refractive index sensor with a visible metamaterial absorber. The visible metamaterial absorber consisting of a silver dendritic/dielectric/metal structure shows multiple absorption peaks. By incorporating a gain material (rhodamine B) into the dielectric layer, the maximal magnitude of the absorption peak can be improved by about 30%. As the metamaterial absorber is sensitive to the refractive index of glucose solutions, it can function as a sensor that quickly responds to variations of the refractive index of the liquid. Meanwhile, since the response is presented via color changes, it can be clearly observed by the naked eyes. Further experiments have confirmed that the sensor can be used repeatedly.

NMRNet: A deep learning approach to automated peak picking of protein NMR spectra.

PubMed

Klukowski, Piotr; Augoff, Michal; Zieba, Maciej; Drwal, Maciej; Gonczarek, Adam; Walczak, Michal J

2018-03-14

Automated selection of signals in protein NMR spectra, known as peak picking, has been studied for over 20 years, nevertheless existing peak picking methods are still largely deficient. Accurate and precise automated peak picking would accelerate the structure calculation, and analysis of dynamics and interactions of macromolecules. Recent advancement in handling big data, together with an outburst of machine learning techniques, offer an opportunity to tackle the peak picking problem substantially faster than manual picking and on par with human accuracy. In particular, deep learning has proven to systematically achieve human-level performance in various recognition tasks, and thus emerges as an ideal tool to address automated identification of NMR signals. We have applied a convolutional neural network for visual analysis of multidimensional NMR spectra. A comprehensive test on 31 manually-annotated spectra has demonstrated top-tier average precision (AP) of 0.9596, 0.9058 and 0.8271 for backbone, side-chain and NOESY spectra, respectively. Furthermore, a combination of extracted peak lists with automated assignment routine, FLYA, outperformed other methods, including the manual one, and led to correct resonance assignment at the levels of 90.40%, 89.90% and 90.20% for three benchmark proteins. The proposed model is a part of a Dumpling software (platform for protein NMR data analysis), and is available at https://dumpling.bio/. michaljerzywalczak@gmail.compiotr.klukowski@pwr.edu.pl. Supplementary data are available at Bioinformatics online.

7 CFR 457.163 - Nursery peak inventory endorsement.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 7 Agriculture 6 2010-01-01 2010-01-01 false Nursery peak inventory endorsement. 457.163 Section... CORPORATION, DEPARTMENT OF AGRICULTURE COMMON CROP INSURANCE REGULATIONS § 457.163 Nursery peak inventory endorsement. Nursery Crop Insurance Peak Inventory Endorsement This endorsement is not continuous and must be...

Derived Equivalence Relations of Geometry Skills in Students with Autism: An Application of the PEAK-E Curriculum

ERIC Educational Resources Information Center

Dixon, Mark R.; Belisle, Jordan; Stanley, Caleb R.; Daar, Jacob H.; Williams, Leigh Anne

2016-01-01

The present study evaluated the efficacy of equivalence-based instruction (EBI) as described in the PEAK-E curriculum (Dixon, 2015) for promoting the emergence of derived geometry skills in two children with high-functioning autism. The results suggested that direct training of shape name (A) to shape property (B) (i.e., A-B relations) was…

Averaging peak-to-peak voltage detector for absolute mass determination of single particles with quadrupole ion traps

NASA Astrophysics Data System (ADS)

Peng, Wen-Ping; Lee, Yuan T.; Ting, Joseph W.; Chang, Huan-Cheng

2005-02-01

A sine wave that controls a quadrupole ion trap is generated from a low voltage source, boosted to high voltage through a transformer. Since not even the best transformers can keep a flat amplitude response with respect to frequency, knowing the accurate peak-to-peak value of the sine wave is paramount when the frequency is varied. We have developed an averaging peak-to-peak voltage detector for such measurements and demonstrated that the device is an essential tool to make possible high-precision mass determination of single charged microparticles with masses greater than 1×1011u. Tests of the detector with sine waves from a FLUKE 5720A standard source in the neighborhood of 1400Vpp and frequencies ranging from 100to700Hz showed a measurement accuracy better than 10ppm. The detector settled within 5s after each reset to 5 digits of DVM rock-steady reading, and the calibration against the same source after 3weeks of continuous use of the circuit produced a mere overall 1ppm difference.

Chemical and structural order in silicon oxynitrides by methods of surface physics

NASA Astrophysics Data System (ADS)

Finster, J.; Heeg, J.; Klinkenberg, E.-D.

A large number of thin amorphous layers of SiO xN y and several (crystalline) reference compounds (SiO 2, Si 3N 4, Si 2N 2O) are studied. Although XANES and SEXAFS are well sulted to derive structural and chemical order, for these compounds many problems remain to be solved. We show how core level spectra (XPS, AES) can be used to gain such information (e.g. random bonding structure, N coordination, oxidation behaviour).

Synthesis of complex oxides with garnet structure by spray drying of an aqueous salt solution

NASA Astrophysics Data System (ADS)

Makeenko, A. V.; Larionova, T. V.; Klimova-Korsmik, O. G.; Starykh, R. V.; Galkin, V. V.; Tolochko, O. V.

2017-04-01

The use of spray drying to obtain powders of complex oxides with a garnet structure has demonstrated. The processes occurring during heating of the synthesized oxide-salt product, leading to the formation of a material with a garnet structure, have been investigated using DTA, TGA, XPS, and XRD. It has been shown that a single-phase garnet structure of system (Y x Gd(3- x))3Al5O12 can be synthesized over the entire range of compositions.

Comparative study of GeO{sub 2}/Ge and SiO{sub 2}/Si structures on anomalous charging of oxide films upon water adsorption revealed by ambient-pressure X-ray photoelectron spectroscopy

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

Mori, Daichi; Kawai, Kentaro; Morita, Mizuho

2016-09-07

The energy difference between the oxide and bulk peaks in X-ray photoelectron spectroscopy (XPS) spectra was investigated for both GeO{sub 2}/Ge and SiO{sub 2}/Si structures with thickness-controlled water films. This was achieved by obtaining XPS spectra at various values of relative humidity (RH) of up to ∼15%. The increase in the energy shift is more significant for thermal GeO{sub 2} on Ge than for thermal SiO{sub 2} on Si above ∼10{sup −4}% RH, which is due to the larger amount of water molecules that infiltrate into the GeO{sub 2} film to form hydroxyls. Analyzing the origins of this energy shift,more » we propose that the positive charging of a partially hydroxylated GeO{sub 2} film, which is unrelated to X-ray irradiation, causes the larger energy shift for GeO{sub 2}/Ge than for SiO{sub 2}/Si. A possible microscopic mechanism of this intrinsic positive charging is the emission of electrons from adsorbed water species in the suboxide layer of the GeO{sub 2} film to the Ge bulk, leaving immobile cations or positively charged states in the oxide. This may be related to the reported negative shift of flat band voltages in metal-oxide-semiconductor diodes with an air-exposed GeO{sub 2} layer.« less

Visual stimulus eccentricity affects human gamma peak frequency.

PubMed

van Pelt, Stan; Fries, Pascal

2013-09-01

The peak frequency of neuronal gamma-band synchronization has received much attention in recent years. Gamma peak frequency shifts to higher frequency values for higher contrast, faster moving, and attended stimuli. In monkey V1, gamma peak frequency for a drifting grating is higher for a parafoveal as compared to an eccentric stimulus (Lima et al., 2010). This effect might be due to the cortical magnification factor: the higher cortical magnification for parafoveal stimuli increases the velocity with which the cortical representations of the moving grating stripes move across the cortical surface. Since faster moving stimuli lead to higher gamma frequency, a faster moving cortical representation might do the same. This explanation predicts that the eccentricity effect on gamma peak frequency is absent for stationary stimuli. To test this, we investigated the effect of eccentricity on gamma peak frequency by recording magnetoencephalography in human subjects while they viewed moving or stationary gratings. We found that both the moving and the stationary stimuli induced lower peak frequencies for larger eccentricities, arguing against an explanation based on the cortical magnification factor. We further investigated whether this eccentricity effect was explained by differences in the size or the spatial frequency of the expected cortical activation. Neither of those explained the eccentricity effect. We propose that the different stimulus and top-down factors leading to higher gamma peak frequency all result in higher stimulus salience, that salience is translated into gamma peak frequency, and that gamma peak frequency might subserve the preferential processing of neuronal activity induced by salient stimuli. Copyright © 2013 Elsevier Inc. All rights reserved.

Spanish Peaks, Sangre de Cristo Range, Colorado

NASA Technical Reports Server (NTRS)

2002-01-01

The Spanish Peaks, on the eastern flank of the Sangre de Cristo range, abruptly rise 7,000 feet above the western Great Plains. Settlers, treasure hunters, trappers, gold and silver miners have long sighted on these prominent landmarks along the Taos branch of the Santa Fe trail. Well before the westward migration, the mountains figured in the legends and history of the Ute, Apache, Comanche, and earlier tribes. 'Las Cumbres Espanolas' are also mentioned in chronicles of exploration by Spaniards including Ulibarri in 1706 and later by de Anza, who eventually founded San Francisco (California). This exceptional view (STS108-720-32), captured by the crew of Space Shuttle mission STS108, portrays the Spanish Peaks in the context of the southern Rocky Mountains. Uplift of the Sangre de Cristo began about 75 million years ago and produced the long north-trending ridges of faulted and folded rock to the west of the paired peaks. After uplift had ceased (26 to 22 million years ago), the large masses of igneous rock (granite, granodiorite, syenodiorite) that form the Peaks were emplaced (Penn, 1995-2001). East and West Spanish Peaks are 'stocks'-bodies of molten rock that intruded sedimentary layers, cooled and solidified, and were later exposed by erosion. East Peak (E), at 12,708 ft is almost circular and is about 5 1/2 miles long by 3 miles wide, while West Peak (W), at 13,623 ft is roughly 2 3/4 miles long by 1 3/4 miles wide. Great dikes-long stone walls-radiate outward from the mountains like spokes of a wheel, a prominent one forms a broad arc northeast of East Spanish Peak. As the molten rock rose, it forced its way into vertical cracks and joints in the sedimentary strata; the less resistant material was then eroded away, leaving walls of hard rock from 1 foot to 100 feet wide, up to 100 feet high, and as long as 14 miles. Dikes trending almost east-west are also common in the region. For more information visit: Sangres.com: The Spanish Peaks (accessed January 16

On the likelihood of single-peaked preferences.

PubMed

Lackner, Marie-Louise; Lackner, Martin

2017-01-01

This paper contains an extensive combinatorial analysis of the single-peaked domain restriction and investigates the likelihood that an election is single-peaked. We provide a very general upper bound result for domain restrictions that can be defined by certain forbidden configurations. This upper bound implies that many domain restrictions (including the single-peaked restriction) are very unlikely to appear in a random election chosen according to the Impartial Culture assumption. For single-peaked elections, this upper bound can be refined and complemented by a lower bound that is asymptotically tight. In addition, we provide exact results for elections with few voters or candidates. Moreover, we consider the Pólya urn model and the Mallows model and obtain lower bounds showing that single-peakedness is considerably more likely to appear for certain parameterizations.

Automatic poisson peak harvesting for high throughput protein identification.

PubMed

Breen, E J; Hopwood, F G; Williams, K L; Wilkins, M R

2000-06-01

High throughput identification of proteins by peptide mass fingerprinting requires an efficient means of picking peaks from mass spectra. Here, we report the development of a peak harvester to automatically pick monoisotopic peaks from spectra generated on matrix-assisted laser desorption/ionisation time of flight (MALDI-TOF) mass spectrometers. The peak harvester uses advanced mathematical morphology and watershed algorithms to first process spectra to stick representations. Subsequently, Poisson modelling is applied to determine which peak in an isotopically resolved group represents the monoisotopic mass of a peptide. We illustrate the features of the peak harvester with mass spectra of standard peptides, digests of gel-separated bovine serum albumin, and with Escherictia coli proteins prepared by two-dimensional polyacrylamide gel electrophoresis. In all cases, the peak harvester proved effective in its ability to pick similar monoisotopic peaks as an experienced human operator, and also proved effective in the identification of monoisotopic masses in cases where isotopic distributions of peptides were overlapping. The peak harvester can be operated in an interactive mode, or can be completely automated and linked through to peptide mass fingerprinting protein identification tools to achieve high throughput automated protein identification.

27 CFR 9.140 - Atlas Peak.

Code of Federal Regulations, 2014 CFR

2014-04-01

... straight line approximately one mile to an unnamed pass with an elevation of 1485 feet, located on Soda Canyon Road; (3) Then easterly in a straight line approximately 0.5 miles to an unnamed peak of 2135 feet... miles to the highest point of an unnamed peak of 1268 feet elevation in section 12, T. 6 N., R. 4 W. on...

27 CFR 9.140 - Atlas Peak.

Code of Federal Regulations, 2011 CFR

2011-04-01

... straight line approximately one mile to an unnamed pass with an elevation of 1485 feet, located on Soda Canyon Road; (3) Then easterly in a straight line approximately 0.5 miles to an unnamed peak of 2135 feet... miles to the highest point of an unnamed peak of 1268 feet elevation in section 12, T. 6 N., R. 4 W. on...

27 CFR 9.140 - Atlas Peak.

Code of Federal Regulations, 2012 CFR

2012-04-01

... straight line approximately one mile to an unnamed pass with an elevation of 1485 feet, located on Soda Canyon Road; (3) Then easterly in a straight line approximately 0.5 miles to an unnamed peak of 2135 feet... miles to the highest point of an unnamed peak of 1268 feet elevation in section 12, T. 6 N., R. 4 W. on...

27 CFR 9.140 - Atlas Peak.

Code of Federal Regulations, 2013 CFR

2013-04-01

... straight line approximately one mile to an unnamed pass with an elevation of 1485 feet, located on Soda Canyon Road; (3) Then easterly in a straight line approximately 0.5 miles to an unnamed peak of 2135 feet... miles to the highest point of an unnamed peak of 1268 feet elevation in section 12, T. 6 N., R. 4 W. on...

D-peaks: a visual tool to display ChIP-seq peaks along the genome.

PubMed

Brohée, Sylvain; Bontempi, Gianluca

2012-01-01

ChIP-sequencing is a method of choice to localize the positions of protein binding sites on DNA on a whole genomic scale. The deciphering of the sequencing data produced by this novel technique is challenging and it is achieved by their rigorous interpretation using dedicated tools and adapted visualization programs. Here, we present a bioinformatics tool (D-peaks) that adds several possibilities (including, user-friendliness, high-quality, relative position with respect to the genomic features) to the well-known visualization browsers or databases already existing. D-peaks is directly available through its web interface http://rsat.ulb.ac.be/dpeaks/ as well as a command line tool.

Structure of fluorescent metal clusters on a DNA template.

NASA Astrophysics Data System (ADS)

Vdovichev, A. A.; Sych, T. S.; Reveguk, Z. V.; Smirnova, A. A.; Maksimov, D. A.; Ramazanov, R. R.; Kononov, A. I.

2016-08-01

Luminescent metal clusters are a subject of growing interest in recent years due to their bright emission from visible to near infrared range. Detailed structure of the fluorescent complexes of Ag and other metal clusters with ligands still remains a challenging task. In this joint experimental and theoretical study we synthesized Ag-DNA complexes on a DNA oligonucleotide emitting in violet- green spectral range. The structure of DNA template was determined by means of various spectral measurements (CD, MS, XPS). Comparison of the experimental fluorescent excitation spectra and calculated absorption spectra for different QM/MM optimized structures allowed us to determine the detailed structure of the green cluster containing three silver atoms in the stem of the DNA hairpin structure stabilized by cytosine-Ag+-cytosine bonds.

Modeled future peak streamflows in four coastal Maine rivers

USGS Publications Warehouse

Hodgkins, Glenn A.; Dudley, Robert W.

2013-01-01

To safely and economically design bridges and culverts, it is necessary to compute the magnitude of peak streamflows that have specified annual exceedance probabilities (AEPs). Annual precipitation and air temperature in the northeastern United States are, in general, projected to increase during the 21st century. It is therefore important for engineers and resource managers to understand how peak flows may change in the future. This report, prepared in cooperation with the Maine Department of Transportation (MaineDOT), presents modeled changes in peak flows at four basins in coastal Maine on the basis of projected changes in air temperature and precipitation. To estimate future peak streamflows at the four basins in this study, historical values for climate (temperature and precipitation) in the basins were adjusted by different amounts and input to a hydrologic model of each study basin. To encompass the projected changes in climate in coastal Maine by the end of the 21st century, air temperatures were adjusted by four different amounts, from -3.6 degrees Fahrenheit (ºF) (-2 degrees Celsius (ºC)) to +10.8 ºF (+6 ºC) of observed temperatures. Precipitation was adjusted by three different percentage values from -15 percent to +30 percent of observed precipitation. The resulting 20 combinations of temperature and precipitation changes (includes the no-change scenarios) were input to Precipitation-Runoff Modeling System (PRMS) watershed models, and annual daily maximum peak flows were calculated for each combination. Modeled peak flows from the adjusted changes in temperature and precipitation were compared to unadjusted (historical) modeled peak flows. Annual daily maximum peak flows increase or decrease, depending on whether temperature or precipitation is adjusted; increases in air temperature (with no change in precipitation) lead to decreases in peak flows, whereas increases in precipitation (with no change in temperature) lead to increases in peak flows. As

Comment on ``heating rate effects in thermoluminescent glow-peaks''

NASA Astrophysics Data System (ADS)

Horowitz, Y.

1993-12-01

In a recent article, Kitis et al. [Nucl. Instr. and Meth. B 73 (1993) 367] discuss the effect of heating rate on three well-known thermoluminescence (TL) glow peaks; the 110°C glow peak of Norwegian quartz, the 210°C "dosimetry" glow peak of LiF:Mg,Ti (peak 5 in TLD-700) and the 250°C glow peak of natural Cap 2 : MBLE. The authors state that they focus their attention on "single, well-separated, glow peaks" in order to "test the theory", presumably charge detrapping kinetic theory. To achieve this rather elusive goal for the 210°C peak in LiF:Mg,Ti, the authors employ a 140°C/60 min post-irradiation anneal to depopulate the low temperature peaks. There is, however, substantial evidence in the TL literature over the past three decades that an anneal of this duration at elevated temperatures induces various thermally activated clustering and precipitation processes leading to trap modification and possible creation of new traps.

The development of a peak-time criterion for designing controlled-release devices.

PubMed

Simon, Laurent; Ospina, Juan

2016-08-25

This work consists of estimating dynamic characteristics for topically-applied drugs when the magnitude of the flux increases to a maximum value, called peak flux, before declining to zero. This situation is typical of controlled-released systems with a finite donor or vehicle volume. Laplace transforms were applied to the governing equations and resulted in an expression for the flux in terms of the physical characteristics of the system. After approximating this function by a second-order model, three parameters of this reduced structure captured the essential features of the original process. Closed-form relationships were then developed for the peak flux and time-to-peak based on the empirical representation. Three case studies that involve mechanisms, such as diffusion, partitioning, dissolution and elimination, were selected to illustrate the procedure. The technique performed successfully as shown by the ability of the second-order flux to match the prediction of the original transport equations. A main advantage of the proposed method is that it does not require a solution of the original partial differential equations. Less accurate results were noted for longer lag times. Copyright © 2016 Elsevier B.V. All rights reserved.

Bayesian approach for peak detection in two-dimensional chromatography.

PubMed

Vivó-Truyols, Gabriel

2012-03-20

A new method for peak detection in two-dimensional chromatography is presented. In a first step, the method starts with a conventional one-dimensional peak detection algorithm to detect modulated peaks. In a second step, a sophisticated algorithm is constructed to decide which of the individual one-dimensional peaks have been originated from the same compound and should then be arranged in a two-dimensional peak. The merging algorithm is based on Bayesian inference. The user sets prior information about certain parameters (e.g., second-dimension retention time variability, first-dimension band broadening, chromatographic noise). On the basis of these priors, the algorithm calculates the probability of myriads of peak arrangements (i.e., ways of merging one-dimensional peaks), finding which of them holds the highest value. Uncertainty in each parameter can be accounted by adapting conveniently its probability distribution function, which in turn may change the final decision of the most probable peak arrangement. It has been demonstrated that the Bayesian approach presented in this paper follows the chromatographers' intuition. The algorithm has been applied and tested with LC × LC and GC × GC data and takes around 1 min to process chromatograms with several thousands of peaks.

Chemical state analysis of heavily phosphorus-doped epitaxial silicon films grown on Si (1 0 0) by X-ray photoelectron spectroscopy

NASA Astrophysics Data System (ADS)

Lee, Minhyeong; Kim, Sungtae; Ko, Dae-Hong

2018-06-01

In this work, we investigated the chemical bonding states in highly P-doped Si thin films epitaxially grown on Si (0 0 1) substrates using high-resolution X-ray photoelectron spectroscopy (HR-XPS). HR-XPS P 2p core-level spectra clearly show spin-orbital splitting between P 2p1/2 and P 2p3/2 peaks in Si films doped with a high concentration of P. Moreover, the intensities of P 2p1/2 and P 2p3/2 peaks for P-doped Si films increase with P concentrations, while their binding energies remained almost identical. These results indicate that more P atoms are incorporated into the substitutional sites of the Si lattice with the increase of P concentrations. In order to identify the chemical states of P-doped Si films shown in XPS Si 2p spectra, the spectra of bulk Si were subtracted from those of Si:P samples, which enables us to clearly identify the new chemical state related to Sisbnd P bonds. We observed that the presence of the two well-resolved new peaks only for the Si:P samples at the binding energy higher than those of a Sisbnd Si bond, which is due to the strong electronegativity of P than that of Si. Experimental findings in this study using XPS open up new doors for evaluating the chemical states of P-doped Si materials in fundamental researches as well as in industrial applications.

Detecting and accounting for multiple sources of positional variance in peak list registration analysis and spin system grouping.

PubMed

Smelter, Andrey; Rouchka, Eric C; Moseley, Hunter N B

2017-08-01

Peak lists derived from nuclear magnetic resonance (NMR) spectra are commonly used as input data for a variety of computer assisted and automated analyses. These include automated protein resonance assignment and protein structure calculation software tools. Prior to these analyses, peak lists must be aligned to each other and sets of related peaks must be grouped based on common chemical shift dimensions. Even when programs can perform peak grouping, they require the user to provide uniform match tolerances or use default values. However, peak grouping is further complicated by multiple sources of variance in peak position limiting the effectiveness of grouping methods that utilize uniform match tolerances. In addition, no method currently exists for deriving peak positional variances from single peak lists for grouping peaks into spin systems, i.e. spin system grouping within a single peak list. Therefore, we developed a complementary pair of peak list registration analysis and spin system grouping algorithms designed to overcome these limitations. We have implemented these algorithms into an approach that can identify multiple dimension-specific positional variances that exist in a single peak list and group peaks from a single peak list into spin systems. The resulting software tools generate a variety of useful statistics on both a single peak list and pairwise peak list alignment, especially for quality assessment of peak list datasets. We used a range of low and high quality experimental solution NMR and solid-state NMR peak lists to assess performance of our registration analysis and grouping algorithms. Analyses show that an algorithm using a single iteration and uniform match tolerances approach is only able to recover from 50 to 80% of the spin systems due to the presence of multiple sources of variance. Our algorithm recovers additional spin systems by reevaluating match tolerances in multiple iterations. To facilitate evaluation of the

Automatic quality assessment and peak identification of auditory brainstem responses with fitted parametric peaks.

PubMed

Valderrama, Joaquin T; de la Torre, Angel; Alvarez, Isaac; Segura, Jose Carlos; Thornton, A Roger D; Sainz, Manuel; Vargas, Jose Luis

2014-05-01

The recording of the auditory brainstem response (ABR) is used worldwide for hearing screening purposes. In this process, a precise estimation of the most relevant components is essential for an accurate interpretation of these signals. This evaluation is usually carried out subjectively by an audiologist. However, the use of automatic methods for this purpose is being encouraged nowadays in order to reduce human evaluation biases and ensure uniformity among test conditions, patients, and screening personnel. This article describes a new method that performs automatic quality assessment and identification of the peaks, the fitted parametric peaks (FPP). This method is based on the use of synthesized peaks that are adjusted to the ABR response. The FPP is validated, on one hand, by an analysis of amplitudes and latencies measured manually by an audiologist and automatically by the FPP method in ABR signals recorded at different stimulation rates; and on the other hand, contrasting the performance of the FPP method with the automatic evaluation techniques based on the correlation coefficient, FSP, and cross correlation with a predefined template waveform by comparing the automatic evaluations of the quality of these methods with subjective evaluations provided by five experienced evaluators on a set of ABR signals of different quality. The results of this study suggest (a) that the FPP method can be used to provide an accurate parameterization of the peaks in terms of amplitude, latency, and width, and (b) that the FPP remains as the method that best approaches the averaged subjective quality evaluation, as well as provides the best results in terms of sensitivity and specificity in ABR signals validation. The significance of these findings and the clinical value of the FPP method are highlighted on this paper. Copyright © 2014 Elsevier Ireland Ltd. All rights reserved.

Annual peak streamflow and ancillary data for small watersheds in central and western Texas

USGS Publications Warehouse

Harwell, Glenn R.; Asquith, William H.

2011-01-01

Estimates of annual peak-streamflow frequency are needed for flood-plain management, assessment of flood risk, and design of structures, such as roads, bridges, culverts, dams, and levees. Regional regression equations have been developed and are used extensively to estimate annual peak-streamflow frequency for ungaged sites in natural (unregulated and rural or nonurbanized) watersheds in Texas (Asquith and Slade, 1997; Asquith and Thompson, 2008; Asquith and Roussel, 2009). The most recent regional regression equations were developed by using data from 638 Texas streamflow-gaging stations throughout the State with eight or more years of data by using drainage area, channel slope, and mean annual precipitation as predictor variables (Asquith and Roussel, 2009). However, because of a lack of sufficient historical streamflow data from small, rural watersheds in certain parts of the State (central and western), substantial uncertainity exists when using the regional regression equations for the purpose of estimating annual peak-streamflow frequency.

Central Peak

NASA Technical Reports Server (NTRS)

2003-01-01

[figure removed for brevity, see original site]

Released 8 September 2003

The degraded remains of this crater central peak have a surface cover that is characteristic of high latitudes. This type of surface material is thought to be a mixture of dust and ice. The nameless crater that this central peak is found in is approximately 150 km in diameter and is located in the southern highlands.

Image information: VIS instrument. Latitude -51.6, Longitude 231.4 East (128.6 West). 19 meter/pixel resolution.

Note: this THEMIS visual image has not been radiometrically nor geometrically calibrated for this preliminary release. An empirical correction has been performed to remove instrumental effects. A linear shift has been applied in the cross-track and down-track direction to approximate spacecraft and planetary motion. Fully calibrated and geometrically projected images will be released through the Planetary Data System in accordance with Project policies at a later time.

NASA's Jet Propulsion Laboratory manages the 2001 Mars Odyssey mission for NASA's Office of Space Science, Washington, D.C. The Thermal Emission Imaging System (THEMIS) was developed by Arizona State University, Tempe, in collaboration with Raytheon Santa Barbara Remote Sensing. The THEMIS investigation is led by Dr. Philip Christensen at Arizona State University. Lockheed Martin Astronautics, Denver, is the prime contractor for the Odyssey project, and developed and built the orbiter. Mission operations are conducted jointly from Lockheed Martin and from JPL, a division of the California Institute of Technology in Pasadena.

Structural Changes in 2D BiSe Bilayers as n Increases in (BiSe)1+δ(NbSe2)n (n = 1-4) Heterostructures.

PubMed

Mitchson, Gavin; Hadland, Erik; Göhler, Fabian; Wanke, Martina; Esters, Marco; Ditto, Jeffrey; Bigwood, Erik; Ta, Kim; Hennig, Richard G; Seyller, Thomas; Johnson, David C

2016-09-28

(BiSe) 1+δ (NbSe 2 ) n heterostructures with n = 1-4 were synthesized using modulated elemental reactants. The BiSe bilayer structure changed from a rectangular basal plane with n = 1 to a square basal plane for n = 2-4. The BiSe in-plane structure was also influenced by small changes in the structure of the precursor, without significantly changing the out-of-plane diffraction pattern or value of the misfit parameter, δ. Density functional theory calculations on isolated BiSe bilayers showed that its lattice is very flexible, which may explain its readiness to adjust shape and size depending on the environment. Correlated with the changes in the BiSe basal plane structure, analysis of scanning transmission electron microscope images revealed that the occurrence of antiphase boundaries, found throughout the n = 1 compound, is dramatically reduced for the n = 2-4 compounds. X-ray photoelectron spectroscopy measurements showed that the Bi 5d 3/2 , 5d 5/2 doublet peaks narrowed toward higher binding energies as n increased from 1 to 2, also consistent with a reduction in the number of antiphase boundaries. Temperature-dependent electrical resistivity and Hall coefficient measurements of nominally stoichiometric samples in conjunction with structural refinements and XPS data suggest a constant amount of interlayer charge transfer independent of n. Constant interlayer charge transfer is surprising given the changes in the BiSe in-plane structure. The structural flexibility of the BiSe layer may be useful in designing multiple constituent heterostructures as an interlayer between structurally dissimilar constituents.

A comprehensive study of catalytic, morphological and electronic properties of ligand-protected gold nanoclusters using XPS, STM, XAFS, and TPD techniques

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

Wu, Qiyuan; Cen, Jiajie; Zhao, Yue

Ultra-small gold nanoclusters were synthesized via a ligand exchange method and deposited onto different TiO2 supports to study their properties. STM imaging revealed that the as-synthesized gold nanoclusters had 2-D morphology consisting of monolayers of gold atoms. In conclusion, subsequent XPS, XAFS, and CO oxidation TPD results indicated that heat treatments of gold clusters at different temperatures significantly altered their electronic and catalytic properties due to ligand deprotection and cluster agglomeration.

A comprehensive study of catalytic, morphological and electronic properties of ligand-protected gold nanoclusters using XPS, STM, XAFS, and TPD techniques

DOE PAGES

Wu, Qiyuan; Cen, Jiajie; Zhao, Yue; ...

2017-12-08

Ultra-small gold nanoclusters were synthesized via a ligand exchange method and deposited onto different TiO2 supports to study their properties. STM imaging revealed that the as-synthesized gold nanoclusters had 2-D morphology consisting of monolayers of gold atoms. In conclusion, subsequent XPS, XAFS, and CO oxidation TPD results indicated that heat treatments of gold clusters at different temperatures significantly altered their electronic and catalytic properties due to ligand deprotection and cluster agglomeration.

Amplification of postwildfire peak flow by debris

NASA Astrophysics Data System (ADS)

Kean, J. W.; McGuire, L. A.; Rengers, F. K.; Smith, J. B.; Staley, D. M.

2016-08-01

In burned steeplands, the peak depth and discharge of postwildfire runoff can substantially increase from the addition of debris. Yet methods to estimate the increase over water flow are lacking. We quantified the potential amplification of peak stage and discharge using video observations of postwildfire runoff, compiled data on postwildfire peak flow (Qp), and a physically based model. Comparison of flood and debris flow data with similar distributions in drainage area (A) and rainfall intensity (I) showed that the median runoff coefficient (C = Qp/AI) of debris flows is 50 times greater than that of floods. The striking increase in Qp can be explained using a fully predictive model that describes the additional flow resistance caused by the emergence of coarse-grained surge fronts. The model provides estimates of the amplification of peak depth, discharge, and shear stress needed for assessing postwildfire hazards and constraining models of bedrock incision.

Amplification of postwildfire peak flow by debris

USGS Publications Warehouse

Kean, Jason W.; McGuire, Luke; Rengers, Francis K.; Smith, Joel B.; Staley, Dennis M.

2016-01-01

In burned steeplands, the peak depth and discharge of postwildfire runoff can substantially increase from the addition of debris. Yet methods to estimate the increase over water flow are lacking. We quantified the potential amplification of peak stage and discharge using video observations of postwildfire runoff, compiled data on postwildfire peak flow (Qp), and a physically based model. Comparison of flood and debris flow data with similar distributions in drainage area (A) and rainfall intensity (I) showed that the median runoff coefficient (C = Qp/AI) of debris flows is 50 times greater than that of floods. The striking increase in Qp can be explained using a fully predictive model that describes the additional flow resistance caused by the emergence of coarse-grained surge fronts. The model provides estimates of the amplification of peak depth, discharge, and shear stress needed for assessing postwildfire hazards and constraining models of bedrock incision.

Peak leg muscle power, peak VO2 and its correlates with physical activity in 57 to 70-year-old women.

PubMed

Boussuge, P-Y; Rance, M; Bedu, M; Duche, P; Praagh, E Van

2006-01-01

The two aims of this study were first to measure short-term muscle power (STMP) by means of a cycling force-velocity test (cycling peak power: CPP) and a vertical jump test (jumping peak performance: JPP) and second, to examine the relationships between physical activity (PA) level, peak oxygen uptake (peak VO2) and STMP in healthy elderly women. Twenty-three independent community-dwelling elderly women (mean age: 64+/-4.4) performed on separate days, a peak oxygen uptake test on cycle ergometer, a cycling force-velocity test and a vertical jump test. A questionnaire (QUANTAP) was used to assess lifespan exercise habits. Four indices expressed in kJ day(-1) kg(-1) were calculated. Two indices represented average past PA level: 1/quantity of habitual physical activity (QHPA), 2/quantity of sports activities (QSA). Two indices represented the actual PA level: 3/actual quantity of habitual physical activity (AQHPA), 4/actual quantity of sports activities (AQSA). CPP (6.3+/-1.2 W kg(-1)) was closely correlated to JPP (14.8+/-3.4 cm) (r=0.80, P<0.001). AQHPA and AQSA were only positively associated with peak VO2 (ml min(-1) kg(-1)) (r=0.49; r=0.50, P<0.05, respectively). Past PA level was not related to fitness measurements. Results show that in this population: (1) jumping peak performance was closely related to CPP measured in the laboratory; (2) the cardio-respiratory fitness was related to the actual habitual physical activity level; (3) only age and anthropometric variables explained the actual performances in multivariate analysis.

Analysis of Ti and TiO2 nanolayers by total reflection X-ray photoelectron spectroscopy

NASA Astrophysics Data System (ADS)

Kubala-Kukuś, A.; Banaś, D.; Stabrawa, I.; Szary, K.; Sobota, D.; Majewska, U.; Wudarczyk-Moćko, J.; Braziewicz, J.; Pajek, M.

2018-07-01

Total reflection X-ray photoelectron spectroscopy (TRXPS) is applied in the analysis of Ti and TiO2 nanolayers deposited on silicon and silicon dioxide substrates. The idea of application of total-reflection phenomenon for exciting X-ray used in the XPS technique is briefly discussed. The experimental setup and measurement conditions for the studied Ti and TiO2 layers are presented. The XPS spectra were registered both for the non-total and total reflection regimes. The survey spectra and C1s, N1s, Ti2p and O1s photoelectron peaks are shown. For energy calibration, the position of C1s photoelectron peak was applied (C-C component, binding energy 284.8 eV). The peak to background ratios are discussed as regards the dependence of the excitation angle. An increase of this ratio for the glancing angle 1°, being below critical angle of the X-ray beam and sample material, results in an improvement of XPS detection limit by factor up to 2. In the case of the Ti nanolayer, additionally, the thickness of the overlayer TiO2 is determined. As an example of applying the TRXPS technique, the analysis of Ti nanolayers implanted by highly charged Xe35+ ions of 280 keV energy is discussed. The Xe3d and O1s photoelectron peaks are presented and discussed.

Structural, optical and electronic properties of K2Ba(NO3)4 crystal

NASA Astrophysics Data System (ADS)

Isaenko, L. I.; Korzhneva, K. E.; Goryainov, S. V.; Goloshumova, A. A.; Sheludyakova, L. A.; Bekenev, V. L.; Khyzhun, O. Y.

2018-02-01

Nitrate crystals reveal nonlinear optical properties and could be considered as converters of laser radiation in the short-wave region. The conditions for obtaining and basic properties of K2Ba(NO3)4 double nitrate crystals were investigated. Crystal growth was implemented by slow cooling in the temperature range of 72-49 °C and low rate evaporation. The structural analysis of K2Ba(NO3)4 formation on the basis of two mixed simple nitrate structures is discussed. The main groups of oscillations in K2Ba(NO3)4 crystal were revealed using Raman and IR spectroscopy, and the table of vibrations for this compound was compiled. The electronic structure of K2Ba(NO3)4 was elucidated in the present work from both experimental and theoretical viewpoints. In particular, X-ray photoelectron spectroscopy (XPS) was employed in the present work to measure binding energies of the atoms constituting the titled compound and its XPS valence-band spectrum for both pristine and Ar+ ion-bombarded surfaces. Further, total and partial densities of states of constituent atoms of K2Ba(NO3)4 have been calculated. The calculations reveal that the O 2p states dominate in the total valence-band region of K2Ba(NO3)4 except of its bottom, where K 3p and Ba 5p states are the principal contributors, while the bottom of the conduction band is composed mainly of the unoccupied O 2p states, with somewhat smaller contributions of the N 2p∗ states as well. With respect to the occupation of the valence band by the O 2p states, the present band-structure calculations are confirmed by comparison on a common energy scale of the XPS valence-band spectrum and the X-ray emission O Kα band for the K2Ba(NO3)4 crystal under study. Furthermore, the present calculations indicate that the K2Ba(NO3)4 compound is a direct-gap material.

THE PEAKS AND GEOMETRY OF FITNESS LANDSCAPES

PubMed Central

CRONA, KRISTINA; GREENE, DEVIN; BARLOW, MIRIAM

2012-01-01

Fitness landscapes are central in the theory of adaptation. Recent work compares global and local properties of fitness landscapes. It has been shown that multi-peaked fitness landscapes have a local property called reciprocal sign epistasis interactions. The converse is not true. We show that no condition phrased in terms of reciprocal sign epistasis interactions only, implies multiple peaks. We give a sufficient condition for multiple peaks phrased in terms of two-way interactions. This result is surprising since it has been claimed that no sufficient local condition for multiple peaks exist. We show that our result cannot be generalized to sufficient conditions for three or more peaks. Our proof depends on fitness graphs, where nodes represent genotypes and where arrows point toward more fit genotypes. We also use fitness graphs in order to give a new brief proof of the equivalent characterizations of fitness landscapes lacking genetic constraints on accessible mutational trajectories. We compare a recent geometric classification of fitness landscape based on triangulations of polytopes with qualitative aspects of gene interactions. One observation is that fitness graphs provide information not contained in the geometric classification. We argue that a qualitative perspective may help relating theory of fitness landscapes and empirical observations. PMID:23036916

Incorporation of low energy activated nitrogen onto HOPG surface: Chemical states and thermal stability studies by in-situ XPS and Raman spectroscopy

NASA Astrophysics Data System (ADS)

Chandran, Maneesh; Shasha, Michal; Michaelson, Shaul; Hoffman, Alon

2016-09-01

In this paper we report the chemical states analysis of activated nitrogen incorporated highly oriented pyrolytic graphite (HOPG) surface under well-controlled conditions. Nitrogen incorporation is carried out by two different processes: an indirect RF nitrogen plasma and low energy (1 keV) N2+ implantation. Bonding configuration, concentration and thermal stability of the incorporated nitrogen species by aforesaid processes are systematically compared by in-situ X-ray photoelectron spectroscopy (XPS). Relatively large concentration of nitrogen is incorporated onto RF nitride HOPG surface (16.2 at.%), compared to N2+ implanted HOPG surface (7.7 at.%). The evolution of N 1s components (N1, N2, N3) with annealing temperature is comprehensively discussed, which indicates that the formation and reorganization of local chemical bonding states are determined by the process of nitridation and not by the prior chemical conditioning (i.e., amorphization or hydrogenation) of the HOPG surface. A combined XPS and Raman spectroscopy studies revealed that N2+ implantation process resulted in a high level of defects to the HOPG surface, which cannot be annealed-out by heat treatment up to 1000 °C. On the other hand, the RF nitrogen plasma process did not produce a high level of surface defects, while incorporating nearly the same amount of stable nitrogen species.

Investigation of Molecular Structure and Thermal Properties of Thermo-Oxidative Aged SBS in Blends and Their Relations

PubMed Central

Xu, Xiong; Yu, Jianying; Xue, Lihui; Zhang, Canlin; Zha, Yagang; Gu, Yi

2017-01-01

Tri-block copolymer styrene–butadiene (SBS) is extensively applied in bituminous highway construction due to its high elasticity and excellent weather resistance. With the extension of time, tri-block structural SBS automatically degrades into bi-block structural SB- with some terminal oxygen-containing groups under the comprehensive effects of light, heat, oxygen, etc. In this paper, the effects of aging temperature, aging time and oxygen concentration on the molecular structure of thermo-oxidative aged SBS were mainly investigated using Fourier transform infrared spectroscopy (FTIR) and X-ray photoelectron spectroscopy (XPS), and the correlation between oxygen-containing groups and thermal properties (TG–DTG) was further discussed. The FTIR and XPS results show that rapid decomposition of SBS will occur with increments of aging temperature, aging time and oxygen concentration, and a large number of oxygen-containing groups such as –OH, C=O, –COOH, etc. will be formed during thermo-oxidative aging. In short-term aging, changes in aging temperature and oxygen concentration have a significant impact on the structural damage of SBS. However, in long-term aging, it has no further effect on the molecular structure of SBS or on increasing oxygen concentration. The TG and DTG results indicate that the concentration of substances with low molecular weight gradually increases with the improvement of the degree of aging of the SBS, while the initial decomposition rate increases at the beginning of thermal weightlessness and the decomposition rate slows down in comparison with neat SBS. From the relation between the XPS and TG results, it can be seen that the initial thermal stability of SBS rapidly reduces as the relative concentration of the oxygen-containing groups accumulates around 3%, while the maximum decomposition temperature slowly decreases when the relative concentration of the oxygen-containing groups is more than 3%, due to the difficult damage to strong

Investigation of Molecular Structure and Thermal Properties of Thermo-Oxidative Aged SBS in Blends and Their Relations.

PubMed

Xu, Xiong; Yu, Jianying; Xue, Lihui; Zhang, Canlin; Zha, Yagang; Gu, Yi

2017-07-07

Tri-block copolymer styrene-butadiene (SBS) is extensively applied in bituminous highway construction due to its high elasticity and excellent weather resistance. With the extension of time, tri-block structural SBS automatically degrades into bi-block structural SB- with some terminal oxygen-containing groups under the comprehensive effects of light, heat, oxygen, etc. In this paper, the effects of aging temperature, aging time and oxygen concentration on the molecular structure of thermo-oxidative aged SBS were mainly investigated using Fourier transform infrared spectroscopy (FTIR) and X-ray photoelectron spectroscopy (XPS), and the correlation between oxygen-containing groups and thermal properties (TG-DTG) was further discussed. The FTIR and XPS results show that rapid decomposition of SBS will occur with increments of aging temperature, aging time and oxygen concentration, and a large number of oxygen-containing groups such as -OH, C=O, -COOH, etc. will be formed during thermo-oxidative aging. In short-term aging, changes in aging temperature and oxygen concentration have a significant impact on the structural damage of SBS. However, in long-term aging, it has no further effect on the molecular structure of SBS or on increasing oxygen concentration. The TG and DTG results indicate that the concentration of substances with low molecular weight gradually increases with the improvement of the degree of aging of the SBS, while the initial decomposition rate increases at the beginning of thermal weightlessness and the decomposition rate slows down in comparison with neat SBS. From the relation between the XPS and TG results, it can be seen that the initial thermal stability of SBS rapidly reduces as the relative concentration of the oxygen-containing groups accumulates around 3%, while the maximum decomposition temperature slowly decreases when the relative concentration of the oxygen-containing groups is more than 3%, due to the difficult damage to strong bonds

Peak finding using biorthogonal wavelets

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

Tan, C.Y.

2000-02-01

The authors show in this paper how they can find the peaks in the input data if the underlying signal is a sum of Lorentzians. In order to project the data into a space of Lorentzian like functions, they show explicitly the construction of scaling functions which look like Lorentzians. From this construction, they can calculate the biorthogonal filter coefficients for both the analysis and synthesis functions. They then compare their biorthogonal wavelets to the FBI (Federal Bureau of Investigations) wavelets when used for peak finding in noisy data. They will show that in this instance, their filters perform muchmore » better than the FBI wavelets.« less

Geology of natural gas reservoir: Upper Travis Peak Formation, western flank of Sabine Uplift, east Texas

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

Fracasso, M.A.

The Travis Peak Formation (Lower Cretaceous) in the eastern East Texas basin represents a sand-rich, fluvial-deltaic depositional system. This lobate, high-constructive deltaic system prograded radially to the southeast from an Upshur County locus. Regional studies of the Travis Peak established a threefold internal stratigraphic framework: a middle sand-rich fluvial and delta-plain sequence is gradationally overlain and underlain by a marine-influenced delta-fringe zone with a higher mud content. The entire Travis Peak succession thins over the Bethany dome on the western flank of the Sabine uplift. However, the delta-fringe sequences are relatively thicker over the structure because of a disproportionately greatermore » thinning of the middle sandy fluvial-deltaic sequence. Lesser sand deposition over the Bethany dome reflects an active structural control over facies distribution. Gas production in the Bethany field and surrounding area is concentrated in thin zones (5-15 ft) of the upper delta-fringe sequence. This distribution probably reflects the increased abundance of mudstone beds in the upper delta-fringe interval, which may have served as source rocks or barriers to upward gas migration, or as both. The predominant trapping mechanism in this region is stratigraphic sand pinch-out in a structurally updip direction on the flanks of major structures. Studies of core and closely spaced electric logs west of the Bethany dome help define the depositional systems in the upper delta-fringe producing interval. This sequence comprises a complex mosaic of continental and marine facies, and exhibits an overall upward trend of increasing marine influence that spans a gradual transition into transgressive carbonates of the Sligo Formation.« less

Automated protein NMR structure determination using wavelet de-noised NOESY spectra.

PubMed

Dancea, Felician; Günther, Ulrich

2005-11-01

A major time-consuming step of protein NMR structure determination is the generation of reliable NOESY cross peak lists which usually requires a significant amount of manual interaction. Here we present a new algorithm for automated peak picking involving wavelet de-noised NOESY spectra in a process where the identification of peaks is coupled to automated structure determination. The core of this method is the generation of incremental peak lists by applying different wavelet de-noising procedures which yield peak lists of a different noise content. In combination with additional filters which probe the consistency of the peak lists, good convergence of the NOESY-based automated structure determination could be achieved. These algorithms were implemented in the context of the ARIA software for automated NOE assignment and structure determination and were validated for a polysulfide-sulfur transferase protein of known structure. The procedures presented here should be commonly applicable for efficient protein NMR structure determination and automated NMR peak picking.

Peaking Into the Dark

NASA Image and Video Library

2017-12-08

In this dramatic scene, an unnamed crater in Mercury's northern volcanic plains is bathed in darkness as the sun sits low on the horizon. Rising from the floor of the crater is its central peak, a small mountain resulting from the crater's formation. A central peak is a type of crater morphology that lies between "simple" and "peak ring" in the range of crater morphology on Mercury. This image was acquired as a high-resolution targeted observation. Targeted observations are images of a small area on Mercury's surface at resolutions much higher than the 200-meter/pixel morphology base map. It is not possible to cover all of Mercury's surface at this high resolution, but typically several areas of high scientific interest are imaged in this mode each week. The MESSENGER spacecraft is the first ever to orbit the planet Mercury, and the spacecraft's seven scientific instruments and radio science investigation are unraveling the history and evolution of the Solar System's innermost planet. During the first two years of orbital operations, MESSENGER acquired over 150,000 images and extensive other data sets. MESSENGER is capable of continuing orbital operations until early 2015. Credit: NASA/Johns Hopkins University Applied Physics Laboratory/Carnegie Institution of Washington NASA image use policy. NASA Goddard Space Flight Center enables NASA’s mission through four scientific endeavors: Earth Science, Heliophysics, Solar System Exploration, and Astrophysics. Goddard plays a leading role in NASA’s accomplishments by contributing compelling scientific knowledge to advance the Agency’s mission. Follow us on Twitter Like us on Facebook Find us on Instagram

MERGING GALAXY CLUSTERS: OFFSET BETWEEN THE SUNYAEV-ZEL'DOVICH EFFECT AND X-RAY PEAKS

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

Molnar, Sandor M.; Hearn, Nathan C.; Stadel, Joachim G., E-mail: sandor@phys.ntu.edu.tw

2012-03-20

Galaxy clusters, the most massive collapsed structures, have been routinely used to determine cosmological parameters. When using clusters for cosmology, the crucial assumption is that they are relaxed. However, subarcminute resolution Sunyaev-Zel'dovich (SZ) effect images compared with high-resolution X-ray images of some clusters show significant offsets between the two peaks. We have carried out self-consistent N-body/hydrodynamical simulations of merging galaxy clusters using FLASH to study these offsets quantitatively. We have found that significant displacements result between the SZ and X-ray peaks for large relative velocities for all masses used in our simulations as long as the impact parameters were aboutmore » 100-250 kpc. Our results suggest that the SZ peak coincides with the peak in the pressure times the line-of-sight characteristic length and not the pressure maximum (as it would for clusters in equilibrium). The peak in the X-ray emission, as expected, coincides with the density maximum of the main cluster. As a consequence, the morphology of the SZ signal, and therefore the offset between the SZ and X-ray peaks, change with viewing angle. As an application, we compare the morphologies of our simulated images to observed SZ and X-ray images and mass surface densities derived from weak-lensing observations of the merging galaxy cluster CL0152-1357, we find that a large relative velocity of 4800 km s{sup -1} is necessary to explain the observations. We conclude that an analysis of the morphologies of multi-frequency observations of merging clusters can be used to put meaningful constraints on the initial parameters of the progenitors.« less

Electrochemical and XPS study of LiFePO4 cathode nanocomposite with PPy/PEG conductive network

NASA Astrophysics Data System (ADS)

Fedorková, A.; Oriňáková, R.; Oriňák, A.; Kupková, M.; Wiemhöfer, H.-D.; Audinot, J. N.; Guillot, J.

2012-08-01

High performance PPy/PEG-LiFePO4 nanocomposites as cathode materials were synthesized by solvothermal method and simple chemical oxidative polymerization of pyrrole (Py) monomer on the surface of LiFePO4 particles. The samples were characterized by scanning electron microscope (SEM), energy dispersive X-ray spectroscopy (EDX), X-ray photoelectron spectrometry (XPS) and charge-discharge tests. PPyPEG hybrid layers decrease particle to particle contact resistance while the impedance measurements confirmed that the coating of PPy-PEG significantly decreases the charge transfer resistance of the electrode material. The initial discharge capacities of this sample at C/5 and 1C are 150 and 128 mAh/g, respectively. The results show that PPy/PEGLiFePO4 composites are more effective than bare LiFePO4 as cathode material.

Micrometoric Impact Effects: Peak Pressure versus Spectral Variation

NASA Technical Reports Server (NTRS)

Jensen, Elizabeth; Lederer, S. M.; Wooden, D. H.; Lindsay, S. S.; Keller, L. P.; Cintala, M. J.; Zolensky, M. E.

2013-01-01

At the Experimental Impact Laboratory at NASA Johnson Space Center, we have investigated the surface properties of asteroids caused by collisions in the mid-infrared (2.5 to 16 microns) by impacting forsterite and enstatite across a range of velocities (as predicted by the Nice Model) and at varying temperatures. The crystal structure in these minerals can be deformed by the shock wave from the impact as well as sheared into smaller particle sizes. Our current focus is on the differing effects between 2.3 and 2.6 km/sec, as well as the differences between a cold sample at -20C and a room temperature sample at 25C. We find that the spectral variation and crystal deformation varies non-linearly with the peak shock pressure.

Peak Doctor v 1.0.0 Labview Version

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

Garner, Scott

2014-05-29

PeakDoctor software works interactively with its user to analyze raw gamma-ray spectroscopic data. The goal of the software is to produce a list of energies and areas of all of the peaks in the spectrum, as accurately as possible. It starts by performing an energy calibration, creating a function that describes how energy can be related to channel number. Next, the software determines which channels in the raw histogram are in the Compton continuum and which channels are parts of a peak. Then the software fits the Compton continuum with cubic polynomials. The last step is to fit all ofmore » the peaks with Gaussian functions, thus producing the list.« less

A method for estimating peak and time of peak streamflow from excess rainfall for 10- to 640-acre watersheds in the Houston, Texas, metropolitan area

USGS Publications Warehouse

Asquith, William H.; Cleveland, Theodore G.; Roussel, Meghan C.

2011-01-01

Estimates of peak and time of peak streamflow for small watersheds (less than about 640 acres) in a suburban to urban, low-slope setting are needed for drainage design that is cost-effective and risk-mitigated. During 2007-10, the U.S. Geological Survey (USGS), in cooperation with the Harris County Flood Control District and the Texas Department of Transportation, developed a method to estimate peak and time of peak streamflow from excess rainfall for 10- to 640-acre watersheds in the Houston, Texas, metropolitan area. To develop the method, 24 watersheds in the study area with drainage areas less than about 3.5 square miles (2,240 acres) and with concomitant rainfall and runoff data were selected. The method is based on conjunctive analysis of rainfall and runoff data in the context of the unit hydrograph method and the rational method. For the unit hydrograph analysis, a gamma distribution model of unit hydrograph shape (a gamma unit hydrograph) was chosen and parameters estimated through matching of modeled peak and time of peak streamflow to observed values on a storm-by-storm basis. Watershed mean or watershed-specific values of peak and time to peak ("time to peak" is a parameter of the gamma unit hydrograph and is distinct from "time of peak") of the gamma unit hydrograph were computed. Two regression equations to estimate peak and time to peak of the gamma unit hydrograph that are based on watershed characteristics of drainage area and basin-development factor (BDF) were developed. For the rational method analysis, a lag time (time-R), volumetric runoff coefficient, and runoff coefficient were computed on a storm-by-storm basis. Watershed-specific values of these three metrics were computed. A regression equation to estimate time-R based on drainage area and BDF was developed. Overall arithmetic means of volumetric runoff coefficient (0.41 dimensionless) and runoff coefficient (0.25 dimensionless) for the 24 watersheds were used to express the rational

Methods for estimating magnitude and frequency of peak flows for natural streams in Utah

USGS Publications Warehouse

Kenney, Terry A.; Wilkowske, Chris D.; Wright, Shane J.

2007-01-01

Estimates of the magnitude and frequency of peak streamflows is critical for the safe and cost-effective design of hydraulic structures and stream crossings, and accurate delineation of flood plains. Engineers, planners, resource managers, and scientists need accurate estimates of peak-flow return frequencies for locations on streams with and without streamflow-gaging stations. The 2-, 5-, 10-, 25-, 50-, 100-, 200-, and 500-year recurrence-interval flows were estimated for 344 unregulated U.S. Geological Survey streamflow-gaging stations in Utah and nearby in bordering states. These data along with 23 basin and climatic characteristics computed for each station were used to develop regional peak-flow frequency and magnitude regression equations for 7 geohydrologic regions of Utah. These regression equations can be used to estimate the magnitude and frequency of peak flows for natural streams in Utah within the presented range of predictor variables. Uncertainty, presented as the average standard error of prediction, was computed for each developed equation. Equations developed using data from more than 35 gaging stations had standard errors of prediction that ranged from 35 to 108 percent, and errors for equations developed using data from less than 35 gaging stations ranged from 50 to 357 percent.

InP/ZnS nanocrystals: coupling NMR and XPS for fine surface and interface description.

PubMed

Virieux, Héloïse; Le Troedec, Marianne; Cros-Gagneux, Arnaud; Ojo, Wilfried-Solo; Delpech, Fabien; Nayral, Céline; Martinez, Hervé; Chaudret, Bruno

2012-12-05

Advanced (1)H, (13)C, and (31)P solution- and solid-state NMR studies combined with XPS were used to probe, at the molecular scale, the composition (of the core, the shell, and the interface) and the surface chemistry of InP/ZnS core/shell quantum dots prepared via a non-coordinating solvent strategy. The interface between the mismatched InP and ZnS phases is composed of an amorphous mixed oxide phase incorporating InPO(x) (with x = 3 and predominantly 4), In(2)O(3), and InO(y)(OH)(3-2y) (y = 0, 1). Thanks to the analysis of the underlying reaction mechanisms, we demonstrate that the oxidation of the upper part of the InP core is the consequence of oxidative conditions brought by decarboxylative coupling reactions (ketonization). These reactions occur during both the core preparation and the coating process, but according to different mechanisms.

A Massive Central Peak and a Low Peak Ring in Gale Crater - Important Influences on the Formation of Mt. Sharp

NASA Technical Reports Server (NTRS)

Allen, Carlton C.

2015-01-01

The Curiosity rover is exploring 155 km diameter Gale crater and Mt. Sharp, Gale's high central mound. This study addresses the central peak and proposed peak ring, and their influence on the overall morphology of the mountain.

Hydrogenation and hydrogen intercalation of hexagonal boron nitride on Ni(1 1 1): reactivity and electronic structure

NASA Astrophysics Data System (ADS)

Späth, F.; Gebhardt, J.; Düll, F.; Bauer, U.; Bachmann, P.; Gleichweit, C.; Görling, A.; Steinrück, H.-P.; Papp, C.

2017-09-01

We investigate the reactivity of hexagonal boron nitride (h-BN) on a Ni(1 1 1) single crystal towards atomic hydrogen over a wide exposure range. Near edge x-ray absorption fine structure and x-ray photoelectron spectroscopy (XPS) show that for low hydrogen exposures hydrogenation of the h-BN sheet is found. In contrast, intercalation of hydrogen between h-BN and the Ni(1 1 1) substrate occurs for high exposures. For intermediate regimes, a mixture of intercalation and hydrogenation is observed. From temperature-programmed desorption and temperature-programmed XPS experiments, we conclude that the hydrogen covalently bound to h-BN is rather stable with a desorption temperature of 600 K, while intercalated hydrogen is desorbing already at 390 K. Further insight into the structural arrangements and the thermodynamics of the system is obtained by comparing our experimental results with extensive density-functional theory calculations. Together with ultraviolet photoelectron spectroscopy measurements, the calculations provide detailed insight into the influence of hydrogenation on the electronic structure of h-BN.

Characterisation of well-adhered ZrO2 layers produced on structured reactors using the sonochemical sol-gel method

NASA Astrophysics Data System (ADS)

Jodłowski, Przemysław J.; Chlebda, Damian K.; Jędrzejczyk, Roman J.; Dziedzicka, Anna; Kuterasiński, Łukasz; Sitarz, Maciej

2018-01-01

The aim of this study was to obtain thin zirconium dioxide coatings on structured reactors using the sonochemical sol-gel method. The preparation method of metal oxide layers on metallic structures was based on the synergistic combination of three approaches: the application of ultrasonic irradiation during the synthesis of Zr sol-gel based on a precursor solution containing zirconium(IV) n-propoxide, the addition of stabilszing agents, and the deposition of ZrO2 on the metallic structures using the dip-coating method. As a result, dense, uniform zirconium dioxide films were obtained on the FeCrAlloy supports. The structured reactors were characterised by various physicochemical methods, such as BET, AFM, EDX, XRF, XRD, XPS and in situ Raman spectroscopy. The results of the structural analysis by Raman and XPS spectroscopy confirmed that the metallic surface was covered by a ZrO2 layer without any impurities. SEM/EDX mapping revealed that the deposited ZrO2 covered the metallic support uniformly. The mechanical and high temperature tests showed that the developed ultrasound assisted sol-gel method is an efficient way to obtain thin, well-adhered zirconium dioxide layers on the structured reactors. The prepared metallic supports covered with thin ZrO2 layers may be a good alternative to layered structured reactors in several dynamics flow processes, for example for gas exhaust abatement.

Structure of new Hg0.75V0.25Ba2CuO4+δ superconducting single crystals.Effect of overdoping on the magnetization second peak

NASA Astrophysics Data System (ADS)

Villard, G.; Pelloquin, D.; Maignan, A.

1998-10-01

Superconducting crystals (Tc=88 K) of the `1201' mercury cuprate have been grown by using vanadium as stabilizer of the (HgOδ) mercury layer. Its shortened c-axis parameter, c=9.345 Å, is linked to the substitution of small VO4 tetrahedra for HgO2 stick deduced from the structural study. The regular layer stacking is confirmed by high resolution microscopy, and cationic analysis coupled to an electron microscope leads to the average formula Hg0.75V0.25Ba2CuO4+δ for these overdoped crystals in good agreement with the structural refinements. One of the major result of the structural part is the mobility of oxygens located at the [BaO]∞ layer level. The superconducting properties of crystals with typical 800×500×10 μm3 dimensions have been investigated by magnetic measurements. Well-marked fishtail features are exhibited on their M(H) curves. The corresponding second peak line differs from that of optimized 1201 crystals demonstrating the important consequences on the superconducting properties of the vanadium for mercury substitution.

SEISMICITY OF THE LASSEN PEAK AREA, CALIFORNIA: 1981-1983.

USGS Publications Warehouse

Walter, Stephen R.; Rojas, Vernonica; Kollmann, Auriel

1984-01-01

Over 700 earthquakes occurred in the vicinity of Lassen Peak, California, from February 1981 through December 1983. These earthquakes define a broad, northwest-trending seismic zone that extends from the Sierra Nevada through the Lassen Peak area and either terminates or is offset to the northeast about 20 kilometers northwest of Lassen Peak. Approximately 25% of these earthquakes are associated with the geothermal system south of Lassen Peak. Earthquakes in the geothermal area generally occur at depths shallower than 6 kilometers.

Site-specific estimation of peak-streamflow frequency using generalized least-squares regression for natural basins in Texas

USGS Publications Warehouse

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

1999-01-01

The U.S. Geological Survey, in cooperation with the Texas Department of Transportation, has developed a computer program to estimate peak-streamflow frequency for ungaged sites in natural basins in Texas. Peak-streamflow frequency refers to the peak streamflows for recurrence intervals of 2, 5, 10, 25, 50, and 100 years. Peak-streamflow frequency estimates are needed by planners, managers, and design engineers for flood-plain management; for objective assessment of flood risk; for cost-effective design of roads and bridges; and also for the desin of culverts, dams, levees, and other flood-control structures. The program estimates peak-streamflow frequency using a site-specific approach and a multivariate generalized least-squares linear regression. A site-specific approach differs from a traditional regional regression approach by developing unique equations to estimate peak-streamflow frequency specifically for the ungaged site. The stations included in the regression are selected using an informal cluster analysis that compares the basin characteristics of the ungaged site to the basin characteristics of all the stations in the data base. The program provides several choices for selecting the stations. Selecting the stations using cluster analysis ensures that the stations included in the regression will have the most pertinent information about flooding characteristics of the ungaged site and therefore provide the basis for potentially improved peak-streamflow frequency estimation. An evaluation of the site-specific approach in estimating peak-streamflow frequency for gaged sites indicates that the site-specific approach is at least as accurate as a traditional regional regression approach.

Corona discharge ionization of paracetamol molecule: Peak assignment

NASA Astrophysics Data System (ADS)

Bahrami, H.; Farrokhpour, H.

2015-01-01

Ionization of paracetamol was investigated using ion mobility spectrometry equipped with a corona discharge ionization source. The measurements were performed in the positive ion mode and three peaks were observed in the ion mobility spectrum. Experimental evidence and theoretical calculations were used to correlate the peaks to related ionic species of paracetamol. Two peaks were attributed to protonated isomers of paracetamol and the other peak was attributed to paracetamol fragment ions formed by dissociation of the N-C bond after protonation of the nitrogen atom. It was observed that three sites of paracetamol compete for protonation and their relative intensities, depending on the sample concentration. The ratio of ion products could be predicted from the internal proton affinity of the protonation sites at each concentration.

Study on peak shape fitting method in radon progeny measurement.

PubMed

Yang, Jinmin; Zhang, Lei; Abdumomin, Kadir; Tang, Yushi; Guo, Qiuju

2015-11-01

Alpha spectrum measurement is one of the most important methods to measure radon progeny concentration in environment. However, the accuracy of this method is affected by the peak tailing due to the energy losses of alpha particles. This article presents a peak shape fitting method that can overcome the peak tailing problem in most situations. On a typical measured alpha spectrum curve, consecutive peaks overlap even their energies are not close to each other, and it is difficult to calculate the exact count of each peak. The peak shape fitting method uses combination of Gaussian and exponential functions, which can depict features of those peaks, to fit the measured curve. It can provide net counts of each peak explicitly, which was used in the Kerr method of calculation procedure for radon progeny concentration measurement. The results show that the fitting curve fits well with the measured curve, and the influence of the peak tailing is reduced. The method was further validated by the agreement between radon equilibrium equivalent concentration based on this method and the measured values of some commercial radon monitors, such as EQF3220 and WLx. In addition, this method improves the accuracy of individual radon progeny concentration measurement. Especially for the (218)Po peak, after eliminating the peak tailing influence, the calculated result of (218)Po concentration has been reduced by 21 %. © The Author 2015. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Oxidation of MnO(100) and NaMnO2 formation: Characterization of Mn2+ and Mn3+ surfaces via XPS and water TPD

NASA Astrophysics Data System (ADS)

Feng, Xu; Cox, David F.

2018-09-01

The oxidation of clean and Na precovered MnO(100) has been investigated by X-ray photoelectron spectroscopy (XPS), low energy electron diffraction (LEED) and temperature programmed desorption (TPD) of adsorbed water. XPS results indicate that Mn3O4-like and Mn2O3-like surfaces can be formed by various oxidation treatments of clean and nearly-stoichiometric MnO(100), while a NaMnO2-like surface can be produced by the oxidation of MnO(100) pre-covered with multilayers of metallic Na. Water TPD results indicate that water adsorption/desorption is sensitive to the available oxidation states of surface Mn cations, and can be used to distinguish between surfaces exposing Mn2+and Mn3+ cations, or a combination of these oxidation states. Carbon dioxide and water TPD results from the NaMnO2-like surface indicate that pre-adsorbed water blocks the uptake of CO2, while water displaces pre-adsorbed CO2. No indication of a strong reactive interaction is observed between CO2, water and the NaMnO2-like surface under the conditions of our study.

Variable threshold method for ECG R-peak detection.

PubMed

Kew, Hsein-Ping; Jeong, Do-Un

2011-10-01

In this paper, a wearable belt-type ECG electrode worn around the chest by measuring the real-time ECG is produced in order to minimize the inconvenient in wearing. ECG signal is detected using a potential instrument system. The measured ECG signal is transmits via an ultra low power consumption wireless data communications unit to personal computer using Zigbee-compatible wireless sensor node. ECG signals carry a lot of clinical information for a cardiologist especially the R-peak detection in ECG. R-peak detection generally uses the threshold value which is fixed. There will be errors in peak detection when the baseline changes due to motion artifacts and signal size changes. Preprocessing process which includes differentiation process and Hilbert transform is used as signal preprocessing algorithm. Thereafter, variable threshold method is used to detect the R-peak which is more accurate and efficient than fixed threshold value method. R-peak detection using MIT-BIH databases and Long Term Real-Time ECG is performed in this research in order to evaluate the performance analysis.

Climate change and peak demand for electricity: Evaluating policies for reducing peak demand under different climate change scenarios

NASA Astrophysics Data System (ADS)

Anthony, Abigail Walker

This research focuses on the relative advantages and disadvantages of using price-based and quantity-based controls for electricity markets. It also presents a detailed analysis of one specific approach to quantity based controls: the SmartAC program implemented in Stockton, California. Finally, the research forecasts electricity demand under various climate scenarios, and estimates potential cost savings that could result from a direct quantity control program over the next 50 years in each scenario. The traditional approach to dealing with the problem of peak demand for electricity is to invest in a large stock of excess capital that is rarely used, thereby greatly increasing production costs. Because this approach has proved so expensive, there has been a focus on identifying alternative approaches for dealing with peak demand problems. This research focuses on two approaches: price based approaches, such as real time pricing, and quantity based approaches, whereby the utility directly controls at least some elements of electricity used by consumers. This research suggests that well-designed policies for reducing peak demand might include both price and quantity controls. In theory, sufficiently high peak prices occurring during periods of peak demand and/or low supply can cause the quantity of electricity demanded to decline until demand is in balance with system capacity, potentially reducing the total amount of generation capacity needed to meet demand and helping meet electricity demand at the lowest cost. However, consumers need to be well informed about real-time prices for the pricing strategy to work as well as theory suggests. While this might be an appropriate assumption for large industrial and commercial users who have potentially large economic incentives, there is not yet enough research on whether households will fully understand and respond to real-time prices. Thus, while real-time pricing can be an effective tool for addressing the peak load

Controllable synthesizing DLC nano structures as a super hydrophobic layer on cotton fabric using a low-cost ethanol electrospray-assisted atmospheric plasma jet.

PubMed

Sohbatzadeh, F; Eshghabadi, M; Mohsenpour, T

2018-06-29

The surface modification of cotton samples was carried out using a liquid (ethanol) electrospray-assisted atmospheric pressure plasma jet. X-ray photoelectron spectroscopy (XPS) and Raman analysis confirmed the successful deposition of diamond like carbon (DLC) nano structures on the cotton surface. The super hydrophobic state of the samples was probed by contact angle measurements. The water repellency of the layers was tuned by controlling the voltage applied to the electrospray electrode. An investigation of the morphological and chemical structures of the samples by field emission scanning microscopy, atomic force microscopy (AFM) and XPS indicated that the physical shape, distribution and amorphization of the DLC structures were successfully adjusted and improved by applying a voltage to the electrospray electrode. Finally wash durability of the best sample was tested for 35 cycles. In this work, the use of a well-developed atmospheric pressure plasma jet for DLC nano structures deposition can enable a promising environmentally friendly and low-cost approach for modifying cotton fabrics for super water-repellent fabric applications.

Controllable synthesizing DLC nano structures as a super hydrophobic layer on cotton fabric using a low-cost ethanol electrospray-assisted atmospheric plasma jet

NASA Astrophysics Data System (ADS)

Sohbatzadeh, F.; Eshghabadi, M.; Mohsenpour, T.

2018-06-01

The surface modification of cotton samples was carried out using a liquid (ethanol) electrospray-assisted atmospheric pressure plasma jet. X-ray photoelectron spectroscopy (XPS) and Raman analysis confirmed the successful deposition of diamond like carbon (DLC) nano structures on the cotton surface. The super hydrophobic state of the samples was probed by contact angle measurements. The water repellency of the layers was tuned by controlling the voltage applied to the electrospray electrode. An investigation of the morphological and chemical structures of the samples by field emission scanning microscopy, atomic force microscopy (AFM) and XPS indicated that the physical shape, distribution and amorphization of the DLC structures were successfully adjusted and improved by applying a voltage to the electrospray electrode. Finally wash durability of the best sample was tested for 35 cycles. In this work, the use of a well-developed atmospheric pressure plasma jet for DLC nano structures deposition can enable a promising environmentally friendly and low-cost approach for modifying cotton fabrics for super water-repellent fabric applications.

The plasma wake of mesosonic conducting bodies. II - An experimental parametric study of the mid-wake ion density peak

NASA Technical Reports Server (NTRS)

Stone, N. H.

1981-01-01

An experimental investigation of the disturbed flow field created by conducting bodies in a mesosonic, collisionless plasma stream is reported. The mid-wake region is investigated, where, for bodies of the order of a Debye length in size, the focused ion streams converge to form a significant current density peak on the wake axis. A parametric description is obtained of the behavior of the amplitude, width, and position of this peak. The results also indicate that portions of the axial ion peak are created by additional mechanisms and that body geometry affects the mid-wake structure only when the sheath is sufficiently thin to conform to the shape of the body.

Probing the influence of the center atom coordination structure in iron phthalocyanine multi-walled carbon nanotube-based oxygen reduction reaction catalysts by X-ray absorption fine structure spectroscopy