Contribution of inner shell Compton ionization to the X-ray fluorescence line intensity

NASA Astrophysics Data System (ADS)

Fernández, Jorge E.; Scot, Viviana; Di Giulio, Eugenio

2016-10-01

The Compton effect is a potential ionization mechanism of atoms. It produces vacancies in inner shells that are filled with the same mechanism of atomic relaxation as the one following photo-absorption. This contribution to X-ray fluorescence emission is frequently neglected because the total Compton cross-section is apparently much lower than the photoelectric one at useful X-ray energies. However, a more careful analysis suggests that is necessary to consider single shell cross sections (instead of total cross sections) as a function of energy. In this article these Compton cross sections are computed for the shells K, L1-L3 and M1-M5 in the framework of the impulse approximation. By comparing the Compton and the photoelectric cross-section for each shell it is then possible to determine the extent of the Compton correction to the intensity of the corresponding characteristic lines. It is shown that for the K shell the correction becomes relevant for excitation energies which are too high to be influent in X-ray spectrometry. In contrast, for L and M shells the Compton contribution is relevant for medium-Z elements and medium energies. To illustrate the different grades of relevance of the correction, for each ionized shell, the energies for which the Compton contribution reaches the extent levels of 1, 5, 10, 20, 50 and 100% of the photoelectric one are determined for all the elements with Z = 11-92. For practical applications it is provided a simple formula and fitting coefficients to compute average correction levels for the shells considered.

Production of soft X-ray emitting slow multiply charged ions - Recoil ion spectroscopy

NASA Technical Reports Server (NTRS)

Sellin, I. A.; Elston, S. B.; Forester, J. P.; Griffin, P. M.; Pegg, D. J.; Peterson, R. S.; Thoe, R. S.; Vane, C. R.; Wright, J. J.; Groeneveld, K.-O.

1977-01-01

S ions with a mean charge state of about 14+ and Cl ions with a mean charge state of 12+ were used to study Ne L-shell vacancy production. The ions caused copious production of NeII-NeVIII excited states with approximately 10 to the minus 18 sq cm cross sections. The induced recoil velocities might have application to a significantly higher resolution spectroscopy than is possible with beam-foil methods.

Two-photon decay of K-shell vacancies in silver atoms

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

Mokler, P.H.; University of Giessen, Giessen; Schaeffer, H.W.

2004-09-01

The spectral distributions for the two-photon decay modes of singly K-shell ionized silver atoms are determined by x-ray-x-ray coincidence measurements. Ag K-shell vacancies were induced by nuclear electron capture decay of radioactive cadmium isotopes {sup 109}Cd and two-photon coincidences were taken back to back (180 deg.) and at a 90 deg. opening angle for the emission. Each of the two-photon transitions from the 2s, 3s, and 3d states exhibits unique angular and spectral distributions. The measurements agree nicely with relativistic self-consistent field calculations of Tong et al. Our results also confirm and extend the earlier experimental data of Ilakovac andmore » co-workers with improved accuracy.« less

Synthesis and White-Light Emission of ZnO/HfO2: Eu Nanocables

PubMed Central

2010-01-01

ZnO/HfO2:Eu nanocables were prepared by radio frequency sputtering with electrospun ZnO nanofibers as cores. The well-crystallized ZnO/HfO2:Eu nanocables showed a uniform intact core–shell structure, which consisted of a hexagonal ZnO core and a monoclinic HfO2 shell. The photoluminescence properties of the samples were characterized. A white-light band emission consisted of blue, green, and red emissions was observed in the nanocables. The blue and green emissions can be attributed to the zinc vacancy and oxygen vacancy defects in ZnO/HfO2:Eu nanocables, and the yellow–red emissions are derived from the inner 4f-shell transitions of corresponding Eu3+ ions in HfO2:Eu shells. Enhanced white-light emission was observed in the nanocables. The enhancement of the emission is ascribed to the structural changes after coaxial synthesis. PMID:20730130

Vanadium fine-structure K-shell electron impact ionization cross sections for fast-electron diagnostic in laser–solid experiments

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

Palmeri, P., E-mail: patrick.palmeri@umons.ac.be; Quinet, P., E-mail: pascal.quinet@umons.ac.be; IPNAS, Université de Liège, B-4000 Liège

2015-09-15

The K-shell electron impact ionization (EII) cross section, along with the K-shell fluorescence yield, is one of the key atomic parameters for fast-electron diagnostic in laser–solid experiments through the K-shell emission cross section. In addition, in a campaign dedicated to the modeling of the K lines of astrophysical interest (Palmeri et al. (2012)), the K-shell fluorescence yields for the K-vacancy fine-structure atomic levels of all the vanadium isonuclear ions have been calculated. In this study, the K-shell EII cross sections connecting the ground and the metastable levels of the parent vanadium ions to the daughter ions K-vacancy levels considered in Palmerimore » et al. (2012) have been determined. The relativistic distorted-wave (DW) approximation implemented in the FAC atomic code has been used for the incident electron kinetic energies up to 20 times the K-shell threshold energies. Moreover, the resulting DW cross sections have been extrapolated at higher energies using the asymptotic behavior of the modified relativistic binary encounter Bethe model (MRBEB) of Guerra et al. (2012) with the density-effect correction proposed by Davies et al. (2013)« less

On the Effect of Geomagnetic Storms on Relativistic Electrons in the Outer Radiation Belt: Van Allen Probes Observations

NASA Astrophysics Data System (ADS)

Moya, Pablo S.; Pinto, Víctor A.; Sibeck, David G.; Kanekal, Shrikanth G.; Baker, Daniel N.

2017-11-01

Using Van Allen Probes Energetic Particle, Composition, and Thermal Plasma-Relativistic Electron-Proton Telescope (ECT-REPT) observations, we performed a statistical study on the effect of geomagnetic storms on relativistic electrons fluxes in the outer radiation belt for 78 storms between September 2012 and June 2016. We found that the probability of enhancement, depletion, and no change in flux values depends strongly on L and energy. Enhancement events are more common for ˜2 MeV electrons at L ˜ 5, and the number of enhancement events decreases with increasing energy at any given L shell. However, considering the percentage of occurrence of each kind of event, enhancements are more probable at higher energies, and the probability of enhancement tends to increases with increasing L shell. Depletion are more probable for 4-5 MeV electrons at the heart of the outer radiation belt, and no-change events are more frequent at L < 3.5 for E ˜ 3 MeV particles. Moreover, for L > 4.5 the probability of enhancement, depletion, or no-change response presents little variation for all energies. Because these probabilities remain relatively constant as a function of radial distance in the outer radiation belt, measurements obtained at geosynchronous orbit may be used as a proxy to monitor E≥1.8 MeV electrons in the outer belt.

Copper fine-structure K-shell electron impact ionization cross sections for fast-electron diagnostic in laser-solid experiments

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

Palmeri, P., E-mail: patrick.palmeri@umons.ac.be; Quinet, P., E-mail: pascal.quinet@umons.ac.be; IPNAS, Université de Liège, B-4000 Liège

2015-03-15

The K-shell electron impact ionization (EII) cross section, along with the K-shell fluorescence yield, is one of the key atomic parameters for fast-electron diagnostic in laser-solid experiments through the K-shell emission cross section. In addition, copper is a material that has been often used in those experiments because it has a maximum total K-shell emission yield. Furthermore, in a campaign dedicated to the modeling of the K lines of astrophysical interest (Palmeri et al., 2012), the K-shell fluorescence yields for the K-vacancy fine-structure atomic levels of all the copper isonuclear ions have been calculated. In this study, the K-shell EII crossmore » sections connecting the ground and the metastable levels of the parent copper ions to the daughter ions K-vacancy levels considered in Palmeri et al. (2012) have been determined. The relativistic distorted-wave (DW) approximation implemented in the FAC atomic code has been used for the incident electron kinetic energies up to 10 times the K-shell threshold energies. Moreover, the resulting DW cross sections have been extrapolated at higher energies using the asymptotic form proposed by Davies et al. (2013)« less

Cross section measurements of radiative KL2,3 RRS in 24Cr and L3M4,5 RRS in 59Pr for Mn Kα1,2 X-rays

NASA Astrophysics Data System (ADS)

Sharma, Veena; Upmanyu, Arun; Singh, Ranjit; Singh, Gurjot; Sharma, Hitesh; Kumar, Sanjeev; Mehta, D.

2017-06-01

The KL2,3 and L3M4,5 radiative resonant Raman scattering (RRS) cross sections have been measured for the quasimonochromatic Mn Kα1,2 X-rays (5.895 keV) in 24Cr (K-shell level width (ΓK) =1.08 eV) and 59 Pr (L3-subshell level width (ΓL3) =3.60 eV), respectively, using targets in metallic and various chemical forms. The incident Mn Kα1,2 X-ray energy is lower than the K-shell binding energy of 24Cr and L3-subshell binding energy of 59Pr by 94 ΓK (Cr) and 94 ΓL3 (Pr), respectively. The experimental measurements were performed with a low energy Ge detector (LEGe) and a radioactive 55Fe annular source in conjunction with 24Cr absorber. The measured cross section values for the 24Cr and 59 Pr elements in their various oxidation states are found to be same within experimental errors. The measurements were further extended to investigate alignment of the intermediate L3-subshell (J =3/2) virtual vacancy states in 59Pr through angular distribution measurements for RRS photon emission, which is found to be isotropic within experimental errors.

Physical parameters for proton induced K-, L-, and M-shell ionization processes

NASA Astrophysics Data System (ADS)

Shehla; Puri, Sanjiv

2016-10-01

The proton induced atomic inner-shell ionization processes comprising radiative and non-radiative transitions are characterized by physical parameters, namely, the proton ionization cross sections, X-ray emission rates, fluorescence yields and Coster-Kronig (CK) transition probabilities. These parameters are required to calculate the K/L/M shell X-ray production (XRP) cross sections and relative X-ray intensity ratios, which in turn are required for different analytical applications. The current status of different physical parameters is presented in this report for use in various applications.

Switching Plasmons: Gold Nanorod-Copper Chalcogenide Core-Shell Nanoparticle Clusters with Selectable Metal/Semiconductor NIR Plasmon Resonances.

PubMed

Muhammed, Madathumpady Abubaker Habeeb; Döblinger, Markus; Rodríguez-Fernández, Jessica

2015-09-16

Exerting control over the near-infrared (NIR) plasmonic response of nanosized metals and semiconductors can facilitate access to unexplored phenomena and applications. Here we combine electrostatic self-assembly and Cd(2+)/Cu(+) cation exchange to obtain an anisotropic core-shell nanoparticle cluster (NPC) whose optical properties stem from two dissimilar plasmonic materials: a gold nanorod (AuNR) core and a copper selenide (Cu(2-x)Se, x ≥ 0) supraparticle shell. The spectral response of the AuNR@Cu2Se NPCs is governed by the transverse and longitudinal plasmon bands (LPB) of the anisotropic metallic core, since the Cu2Se shell is nonplasmonic. Under aerobic conditions the shell undergoes vacancy doping (x > 0), leading to the plasmon-rich NIR spectrum of the AuNR@Cu(2-x)Se NPCs. For low vacancy doping levels the NIR optical properties of the dually plasmonic NPCs are determined by the LPBs of the semiconductor shell (along its major longitudinal axis) and of the metal core. Conversely, for high vacancy doping levels their NIR optical response is dominated by the two most intense plasmon modes from the shell: the transverse (along the shortest transversal axis) and longitudinal (along the major longitudinal axis) modes. The optical properties of the NPCs can be reversibly switched back to a purely metallic plasmonic character upon reversible conversion of AuNR@Cu(2-x)Se into AuNR@Cu2Se. Such well-defined nanosized colloidal assemblies feature the unique ability of holding an all-metallic, a metallic/semiconductor, or an all-semiconductor plasmonic response in the NIR. Therefore, they can serve as an ideal platform to evaluate the crosstalk between plasmonic metals and plasmonic semiconductors at the nanoscale. Furthermore, their versatility to display plasmon modes in the first, second, or both NIR windows is particularly advantageous for bioapplications, especially considering their strong absorbing and near-field enhancing properties.

VizieR Online Data Catalog: Relativistic MR-MP energy levels for Si (Santana+, 2018)

NASA Astrophysics Data System (ADS)

Santana, J. A.; Lopez-Dauphin, N. A.; Beiersdorfer, P.

2018-03-01

Level energies are reported for Si V, Si VI, Si VII, Si VIII, Si IX, Si X, Si XI, and Si XII. The energies have been calculated with the relativistic Multi- Reference Moller-Plesset Perturbation Theory method and include valence and K-vacancy states with nl up to 5f. The accuracy of the calculated level energies is established by comparison with the recommended data listed in the National Institute of Standards and Technology (NIST) online database. The average deviation of valence level energies ranges from 0.20eV in SiV to 0.04eV in SiXII. For K-vacancy states, the available values recommended in the NIST database are limited to Si XII and Si XIII. The average energy deviation is below 0.3eV for K-vacancy states. The extensive and accurate data set presented here greatly augments the amount of available reference level energies. We expect our data to ease the line identification of L-shell ions of Si in celestial sources and laboratory-generated plasmas, and to serve as energy references in the absence of more accurate laboratory measurements. (1 data file).

In-Situ TEM Visualization Of Vacancy Injection And Chemical Partition During Oxidation Of Ni-Cr Nanoparticles

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

Wang, Chong M.; Genc, Arda; Cheng, Huikai

2014-01-14

Oxidation of alloy often involves chemical partition and injection of vacancies. Chemical partition is the consequence of selective oxidation, while injection of vacancies is associated with the differences of diffusivity of cations and anions. It is far from clear as how the injected vacancies behave during oxidation of metal. Using in-situ transmission electron microscopy, we captured unprecedented details on the collective behavior of injected vacancies during oxidation of metal, featuring an initial multi-site oxide nucleation, vacancy supersaturation, nucleation of a single cavity, sinking of vacancies into the cavity and accelerated oxidation of the particle. High sensitive energy dispersive x-ray spectroscopymore » mapping reveals that Cr is preferentially oxidized even at the initial oxidation, leading to a structure that Cr oxide is sandwiched near the inner wall of the hollow particle. The work provides a general guidance on tailoring of nanostructured materials involving multi-ion exchange such as core-shell structured composite nanoparticles.« less

In-Situ TEM visualization of vacancy injection and chemical partition during oxidation of Ni-Cr nanoparticles

PubMed Central

Wang, Chong-Min; Genc, Arda; Cheng, Huikai; Pullan, Lee; Baer, Donald R.; Bruemmer, Stephen M.

2014-01-01

Oxidation of alloy often involves chemical partition and injection of vacancies. Chemical partition is the consequence of selective oxidation, while injection of vacancies is associated with the differences of diffusivity of cations and anions. It is far from clear as how the injected vacancies behave during oxidation of metal. Using in-situ transmission electron microscopy, we captured unprecedented details on the collective behavior of injected vacancies during oxidation of metal, featuring an initial multi-site oxide nucleation, vacancy supersaturation, nucleation of a single cavity, sinking of vacancies into the cavity and accelerated oxidation of the particle. High sensitive energy dispersive x-ray spectroscopy mapping reveals that Cr is preferentially oxidized even at the initial oxidation, leading to a structure that Cr oxide is sandwiched near the inner wall of the hollow particle. The work provides a general guidance on tailoring of nanostructured materials involving multi-ion exchange such as core-shell structured composite nanoparticles. PMID:24418778

The role of radiative de-excitation in the neutralization process of highly charged ions interacting with a single layer of graphene

NASA Astrophysics Data System (ADS)

Schwestka, J.; Wilhelm, R. A.; Gruber, E.; Heller, R.; Kozubek, R.; Schleberger, M.; Facsko, S.; Aumayr, F.

2018-05-01

X-ray emission of slow (<1 a.u.) highly charged Argon and Xenon ions is measured for transmission through a freestanding single layer of graphene. To discriminate against X-ray emission originating from the graphene's support grid a coincidence technique is used. X-ray emission of 75 keV Ar17+ and Ar18+ ions with either one or two K-shell vacancies is recorded. Using a windowless Bruker XFlash detector allows us to measure additionally Ar KLL and KLM Auger electrons and determine the branching ratio of radiative vs. non-radiative decay of Ar K-shell holes. Furthermore, X-ray spectra for 100 keV Xe22+-Xe35+ ions are compared, showing a broad M-line peak for all cases, where M-shell vacancies are present. All these peaks are accompanied by emission lines at still higher energies indicating the presence of a hollow atom during X-ray decay. We report a linear shift of the main M-line peak to higher energies for increasing incident charge state, i.e. increasing number of M-shell holes.

Ultrafast Molecular Three-Electron Auger Decay.

PubMed

Feifel, Raimund; Eland, John H D; Squibb, Richard J; Mucke, Melanie; Zagorodskikh, Sergey; Linusson, Per; Tarantelli, Francesco; Kolorenč, Přemysl; Averbukh, Vitali

2016-02-19

Three-electron Auger decay is an exotic and elusive process, in which two outer-shell electrons simultaneously refill an inner-shell double vacancy with emission of a single Auger electron. Such transitions are forbidden by the many-electron selection rules, normally making their decay lifetimes orders of magnitude longer than the few-femtosecond lifetimes of normal (two-electron) Auger decay. Here we present theoretical predictions and direct experimental evidence for a few-femtosecond three-electron Auger decay of a double inner-valence-hole state in CH_{3}F. Our analysis shows that in contrast to double core holes, double inner-valence vacancies in molecules can decay exclusively by this ultrafast three-electron Auger process, and we predict that this phenomenon occurs widely.

Postcollision interactions in the Auger decay of the Ar L-shell

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

Samson, J.A.R.; Stolte, W.C.; He, Z.X.

1997-04-01

The photoionization cross sections for Ar{sup +} through Ar{sup 4+}, produced by the Auger decay of an inner shell 2p hole, have been measured between 242 eV and 253 eV on beamline 9.0.1 and 6.3.2. In this study the authors are interested in near threshold phenomenon involving postcollision interactions (PCI), which are related to the Auger decay of a vacancy in the Ar L-shell. During an Auger decay a postcollision interaction can occur causing the out-going photoelectron to be retarded thus losing a certain amount of energy. If the retardation is sufficiently large the photoelectron will not escape. This resultmore » produces a singly charged ion, which normally would not be present. Such evidence of electron capture by the PCI effect was first shown clearly by Eberhardt et al. and, with higher resolution, in the present work. However, capture of the photoelectron is expected to be 100% exactly at the L{sub 2,3} thresholds. Thus, from the authors results they would have expected the Ar{sup 2+} signal to be zero at threshold, but it was not? The authors can explain this anomoly on the basis that during the Auger decay the photoelectrons are captured into high lying excited states of Ar{sup +}, which subsequently decay through autoionization yielding Ar{sup 2+}. Future work in this area will seek experimental evidence to verify this prediction.« less

Multiple outer-shell ionization effect in inner-shell x-ray production by light ions

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

Lapicki, G.; Mehta, R.; Duggan, J.L.

1986-11-01

L-shell x-ray production cross sections by 0.25--2.5-MeV /sub 2//sup 4/He/sup +/ ions in /sub 28/Ni, /sub 29/Cu, /sub 32/Ge, /sub 33/As, /sub 37/Rb, /sub 38/Sr, /sub 39/Y, /sub 40/Zr, and /sub 46/Pd are reported. The data are compared to the first Born approximation and the ECPSSR theory that accounts for the projectile energy loss (E) and Coulomb deflection (C) as well as the perturbed-stationary-state (PSS) and relativistic (R) effects in the treatment of the target L-shell electron. Surprisingly, the first Born approximation appears to converge to the data while the ECPSSR predictions underestimate them in the low-velocity limit. This ismore » explained as the result of improper use of single-hole fluorescence yields. A heuristic formula is proposed to account for multiple ionizations in terms of a classical probability for these phenomena and, after it is applied, the ECPSSR theory of L-shell ionization is found to be in good agreement with the data.« less

Understanding the Thermal Stability of Palladium–Platinum Core–Shell Nanocrystals by In Situ Transmission Electron Microscopy and Density Functional Theory

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

Vara, Madeline; Roling, Luke T.; Wang, Xue

Core–shell nanocrystals offer many advantages for heterogeneous catalysis, including precise control over both the surface structure and composition, as well as reduction in loading for rare and costly metals. Although many catalytic processes are operated at elevated temperatures, the adverse impacts of heating on the shape and structure of core–shell nanocrystals are yet to be understood. In this work, we used ex situ heating experiments to demonstrate that Pd@Pt 4L core–shell nanoscale cubes and octahedra are promising for catalytic applications at temperatures up to 400 °C. We also used in situ transmission electron microscopy to monitor the thermal stability ofmore » the core–shell nanocrystals in real time. Our results demonstrate a facet dependence for the thermal stability in terms of shape and composition. Specifically, the cubes enclosed by {100} facets readily deform shape at a temperature 300 °C lower than that of the octahedral counterparts enclosed by {111} facets. A reversed trend is observed for composition, as alloying between the Pd core and the Pt shell of an octahedron occurs at a temperature 200 °C lower than that for the cubic counterpart. Density functional theory calculations provide atomic-level explanations for the experimentally observed behaviors, demonstrating that the barriers for edge reconstruction determine the relative ease of shape deformation for cubes compared to octahedra. Furthermore, the opposite trend for alloying of the core–shell structure can be attributed to a higher propensity for subsurface Pt vacancy formation in octahedra than in cubes.« less

Understanding the Thermal Stability of Palladium–Platinum Core–Shell Nanocrystals by In Situ Transmission Electron Microscopy and Density Functional Theory

DOE PAGES

Vara, Madeline; Roling, Luke T.; Wang, Xue; ...

2017-05-09

Core–shell nanocrystals offer many advantages for heterogeneous catalysis, including precise control over both the surface structure and composition, as well as reduction in loading for rare and costly metals. Although many catalytic processes are operated at elevated temperatures, the adverse impacts of heating on the shape and structure of core–shell nanocrystals are yet to be understood. In this work, we used ex situ heating experiments to demonstrate that Pd@Pt 4L core–shell nanoscale cubes and octahedra are promising for catalytic applications at temperatures up to 400 °C. We also used in situ transmission electron microscopy to monitor the thermal stability ofmore » the core–shell nanocrystals in real time. Our results demonstrate a facet dependence for the thermal stability in terms of shape and composition. Specifically, the cubes enclosed by {100} facets readily deform shape at a temperature 300 °C lower than that of the octahedral counterparts enclosed by {111} facets. A reversed trend is observed for composition, as alloying between the Pd core and the Pt shell of an octahedron occurs at a temperature 200 °C lower than that for the cubic counterpart. Density functional theory calculations provide atomic-level explanations for the experimentally observed behaviors, demonstrating that the barriers for edge reconstruction determine the relative ease of shape deformation for cubes compared to octahedra. Furthermore, the opposite trend for alloying of the core–shell structure can be attributed to a higher propensity for subsurface Pt vacancy formation in octahedra than in cubes.« less

Understanding the Thermal Stability of Palladium-Platinum Core-Shell Nanocrystals by In Situ Transmission Electron Microscopy and Density Functional Theory.

PubMed

Vara, Madeline; Roling, Luke T; Wang, Xue; Elnabawy, Ahmed O; Hood, Zachary D; Chi, Miaofang; Mavrikakis, Manos; Xia, Younan

2017-05-23

Core-shell nanocrystals offer many advantages for heterogeneous catalysis, including precise control over both the surface structure and composition, as well as reduction in loading for rare and costly metals. Although many catalytic processes are operated at elevated temperatures, the adverse impacts of heating on the shape and structure of core-shell nanocrystals are yet to be understood. In this work, we used ex situ heating experiments to demonstrate that Pd@Pt 4L core-shell nanoscale cubes and octahedra are promising for catalytic applications at temperatures up to 400 °C. We also used in situ transmission electron microscopy to monitor the thermal stability of the core-shell nanocrystals in real time. Our results demonstrate a facet dependence for the thermal stability in terms of shape and composition. Specifically, the cubes enclosed by {100} facets readily deform shape at a temperature 300 °C lower than that of the octahedral counterparts enclosed by {111} facets. A reversed trend is observed for composition, as alloying between the Pd core and the Pt shell of an octahedron occurs at a temperature 200 °C lower than that for the cubic counterpart. Density functional theory calculations provide atomic-level explanations for the experimentally observed behaviors, demonstrating that the barriers for edge reconstruction determine the relative ease of shape deformation for cubes compared to octahedra. The opposite trend for alloying of the core-shell structure can be attributed to a higher propensity for subsurface Pt vacancy formation in octahedra than in cubes.

A study of the vacancy loop formation probability in Ni-Cu and Ag-Pd alloys. [50-keV Kr sup + ions

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

Smalinskas, K.; Chen, Gengsheng; Haworth, J.

1992-04-01

The molten-zone model of vacancy loop formation from a displacement cascade predicts that the loop formation probability should scale with the melting temperature. To investigate this possibility the vacancy loop formation probability has been determined in a series of Cu-Ni and Ag-Pd alloys. The irradiations were performed at room temperature with 50 keV Kr+ ions and the resulting damage structure was examined by using transmission electron microscopy. In the Cu-Ni alloy series, the change in loop formation probability with increasing Ni concentration was complex, and at low- and high- nickel concentrations, the defect yield did not change in the predictedmore » manner. The defect yield was higher in the Cu-rich alloys than in the Ni-rich alloys. In the Ag-Pd alloy the change in the loop formation probability followed more closely the change in melting temperature, but no simple relationship was determined.« less

On the mechanism of penetration of ovicidal fungi through egg-shells of parasitic nematodes. Decomposition of chitinous and ascaroside layers.

PubMed

Kunert, J

1992-01-01

The decomposition of egg-shells of Ascaris lumbricoides L. was studied microscopically using topochemical methods in a set of 32 strains of soil ovicidal fungi. It was found that even fungi displaying minimal chitinolytic activity in tests on purified chitin in vitro are able to dissolve chitin of egg-shells during the attack on live eggs. Fungi without any chitinolytic activity penetrate probably only the mechanically damaged eggs. None of the studied fungi was capable of degrading enzymatically the glycolipid (ascaroside) layer of the egg-shell which remained intact after digestion of all other components of the egg.

A Study of the Vacancy-Impurity Interaction in Dilute Nickel Alloys by Core Electron Annihilation

NASA Astrophysics Data System (ADS)

Arbuzov, V. L.; Danilov, S. E.; Druzhkov, A. P.

1997-08-01

It is shown that the angular correlation of annihilation radiation can be used to identify vacancy-impurity complexes in dilute alloys. Annihilation of trapped positrons with core electrons bears information about the chemical environment of a vacancy defect. The method is especially effective for d-matrices doped with sp-impurities since annihilation parameters of positrons with d- and sp-shell electrons differ considerably. The potentialities of the method of core-electron annihilation of positrons are demonstrated taking electron-irradiated dilute Ni-P and Ni-Si alloys as an example. It is shown that the interaction between the vacancies, which migrate at the III stage of annealing, and P atoms in Ni-P causes a considerable change in the annihilation parameters of positrons with core electrons compared to pure Ni. In Ni-Si alloys the annihilation parameters of trapped positrons with core electrons do not differ from those in Ni. This fact is an evidence that Si atoms do not interact with vacancies in Ni.

A comment on Baker et al. 'The time dependence of an atom-vacancy encounter due to the vacancy mechanism of diffusion'

NASA Astrophysics Data System (ADS)

Dasenbrock-Gammon, Nathan; Zacate, Matthew O.

2017-05-01

Baker et al. derived time-dependent expressions for calculating average number of jumps per encounter and displacement probabilities for vacancy diffusion in crystal lattice systems with infinitesimal vacancy concentrations. As shown in this work, their formulation is readily expanded to include finite vacancy concentration, which allows calculation of concentration-dependent, time-averaged quantities. This is useful because it provides a computationally efficient method to express lineshapes of nuclear spectroscopic techniques through the use of stochastic fluctuation models.

Geochemistry of amino acids in shells of the clam Saxidomus

USGS Publications Warehouse

Kvenvolden, K.A.; Blunt, D.J.; McMenamin, M.A.; Straham, S.E.

1980-01-01

Concentrations of amino acids and their corresponding d l enantiomeric ratios have been measured in shells of the bivalve mollusk Saxidomus from eleven localities, ranging in age from modern to probably more than 500,000 yr, along the Pacific coast of North America. Natural logarithms of amino acid concentrations correlate well with d l ratios, and the relationship provides a possible guide to the selection of fossils for use in amino acid dating. The relative order of the extents of racemization of amino acids at any given time appears to change with increasing sample age. Application of the amino acid dating method to shells from Whidbey Island, Washington, yields an age of about 80,000 yr, in contrast to the previously determined radiocarbon age of 36,000 yr which was measured on some shell carbonate and considered a minimum age. The amino acid age is compatible with the geologic record in the area. ?? 1980.

Unravelling the origin of the giant Zn deficiency in wurtzite type ZnO nanoparticles

PubMed Central

Renaud, Adèle; Cario, Laurent; Rocquelfelte, Xavier; Deniard, Philippe; Gautron, Eric; Faulques, Eric; Das, Tilak; Cheviré, François; Tessier, Franck; Jobic, Stéphane

2015-01-01

Owing to its high technological importance for optoelectronics, zinc oxide received much attention. In particular, the role of defects on its physical properties has been extensively studied as well as their thermodynamical stability. In particular, a large concentration of Zn vacancies in ZnO bulk materials is so far considered highly unstable. Here we report that the thermal decomposition of zinc peroxide produces wurtzite-type ZnO nanoparticles with an extraordinary large amount of zinc vacancies (>15%). These Zn vacancies segregate at the surface of the nanoparticles, as confirmed by ab initio calculations, to form a pseudo core-shell structure made of a dense ZnO sphere coated by a Zn free oxo-hydroxide mono layer. In others terms, oxygen terminated surfaces are privileged over zinc-terminated surfaces for passivation reasons what accounts for the Zn off-stoichiometry observed in ultra-fine powdered samples. Such Zn-deficient Zn1-xO nanoparticles exhibit an unprecedented photoluminescence signature suggesting that the core-shell-like edifice drastically influences the electronic structure of ZnO. This nanostructuration could be at the origin of the recent stabilisation of p-type charge carriers in nitrogen-doped ZnO nanoparticles. PMID:26333510

Origin of luminescence from ZnO/CdS core/shell nanowire arrays

NASA Astrophysics Data System (ADS)

Wang, Zhiqiang; Wang, Jian; Sham, Tsun-Kong; Yang, Shaoguang

2014-07-01

Chemical imaging, electronic structure and optical properties of ZnO/CdS nano-composites have been investigated using scanning transmission X-ray microscopy (STXM), X-ray absorption near-edge structure (XANES) and X-ray excited optical luminescence (XEOL) spectroscopy. STXM and XANES results confirm that the as-prepared product is ZnO/CdS core/shell nanowires (NWs), and further indicate that ZnS was formed on the surface of ZnO NWs as the interface between ZnO and CdS. The XEOL from ZnO/CdS NW arrays exhibits one weak ultraviolet (UV) emission at 375 nm, one strong green emission at 512 nm, and two broad infrared (IR) emissions at 750 and 900 nm. Combining XANES and XEOL, it is concluded that the UV luminescence is the near band gap emission (BGE) of ZnO; the green luminescence comes from both the BGE of CdS and defect emission (DE, zinc vacancies) of ZnO; the IR luminescence is attributed to the DE (bulk defect related to the S site) of CdS; ZnS contributes little to the luminescence of the ZnO/CdS NW arrays. Interestingly, the BGE and DE from oxygen vacancies of ZnO in the ZnO/CdS nano-composites are almost entirely quenched, while DE from zinc vacancies changes little.Chemical imaging, electronic structure and optical properties of ZnO/CdS nano-composites have been investigated using scanning transmission X-ray microscopy (STXM), X-ray absorption near-edge structure (XANES) and X-ray excited optical luminescence (XEOL) spectroscopy. STXM and XANES results confirm that the as-prepared product is ZnO/CdS core/shell nanowires (NWs), and further indicate that ZnS was formed on the surface of ZnO NWs as the interface between ZnO and CdS. The XEOL from ZnO/CdS NW arrays exhibits one weak ultraviolet (UV) emission at 375 nm, one strong green emission at 512 nm, and two broad infrared (IR) emissions at 750 and 900 nm. Combining XANES and XEOL, it is concluded that the UV luminescence is the near band gap emission (BGE) of ZnO; the green luminescence comes from both the BGE of CdS and defect emission (DE, zinc vacancies) of ZnO; the IR luminescence is attributed to the DE (bulk defect related to the S site) of CdS; ZnS contributes little to the luminescence of the ZnO/CdS NW arrays. Interestingly, the BGE and DE from oxygen vacancies of ZnO in the ZnO/CdS nano-composites are almost entirely quenched, while DE from zinc vacancies changes little. Electronic supplementary information (ESI) available: PL spectra of the ZnO NW arrays before/after CdS coating. S K-edge XANES spectra of the ZnO/CdS core/shell NW arrays. See DOI: 10.1039/c4nr02231a

XAS study of TiO2-based nanomaterials

NASA Astrophysics Data System (ADS)

Schneider, K.; Zajac, D.; Sikora, M.; Kapusta, Cz.; Michalow-Mauke, K.; Graule, Th.; Rekas, M.

2015-07-01

X-Ray Absorption Spectroscopy studies of the W (0-1 at% W) and Mo-doped TiO2 (0-1 at% Mo) nanoparticle specimens at the K edges of titanium and molybdenum as well as at the L2 L3 edges of tungsten are presented. The materials were prepared with Flame Spray Synthesis process by oxidation of metal-organic precursors. The Ti:K edge spectra in the XANES range show pre-edge and post-edge features characteristic for anatase. A decrease of the amplitude of the EXAFS function with doping is observed and attributed to a softening of the crystal lattice. The Mo EXAFS functions show a considerable decrease of the second-neighbour-shell peak with increasing Mo content, which is attributed to an increased number of cation vacancies. For tungsten a less pronounced effect is observed. The Mo and W XANES spectra do not show noticeable changes with doping level, which indicates their unchanged oxidation states.

Tracking Oxygen Vacancies in Thin Film SOFC Cathodes

NASA Astrophysics Data System (ADS)

Leonard, Donovan; Kumar, Amit; Jesse, Stephen; Kalinin, Sergei; Shao-Horn, Yang; Crumlin, Ethan; Mutoro, Eva; Biegalski, Michael; Christen, Hans; Pennycook, Stephen; Borisevich, Albina

2011-03-01

Oxygen vacancies have been proposed to control the rate of the oxygen reduction reaction and ionic transport in complex oxides used as solid oxide fuel cell (SOFC) cathodes [1,2]. In this study oxygen vacancies were tracked, both dynamically and statically, with the combined use of scanned probe microscopy (SPM) and scanning transmission electron microscopy (STEM). Epitaxial films of La 0.8 Sr 0.2 Co O3 (L SC113) and L SC113 / LaSrCo O4 (L SC214) on a GDC/YSZ substrate were studied, where the latter showed increased electrocatalytic activity at moderate temperature. At atomic resolution, high angle annular dark field STEM micrographs revealed vacancy ordering in L SC113 as evidenced by lattice parameter modulation and EELS studies. The evolution of oxygen vacancy concentration and ordering with applied bias and the effects of bias cycling on the SOFC cathode performance will be discussed. Research is sponsored by the of Materials Sciences and Engineering Division, U.S. DOE.

Selective isolation of the electron or hole in photocatalysis: ZnO-TiO2 and TiO2-ZnO core-shell structured heterojunction nanofibers via electrospinning and atomic layer deposition.

PubMed

Kayaci, Fatma; Vempati, Sesha; Ozgit-Akgun, Cagla; Donmez, Inci; Biyikli, Necmi; Uyar, Tamer

2014-06-07

Heterojunctions are a well-studied material combination in photocatalysis studies, the majority of which aim to improve the efficacy of the catalysts. Developing novel catalysts begs the question of which photo-generated charge carrier is more efficient in the process of catalysis and the associated mechanism. To address this issue we have fabricated core-shell heterojunction (CSHJ) nanofibers from ZnO and TiO2 in two combinations where only the 'shell' part of the heterojunction is exposed to the environment to participate in the photocatalysis. Core and shell structures were fabricated via electrospinning and atomic layer deposition, respectively which were then subjected to calcination. These CSHJs were characterized and studied for photocatalytic activity (PCA). These two combinations expose electrons or holes selectively to the environment. Under suitable illumination of the ZnO-TiO2 CSHJ, e/h pairs are created mainly in TiO2 and the electrons take part in catalysis (i.e. reduce the organic dye) at the conduction band or oxygen vacancy sites of the 'shell', while holes migrate to the core of the structure. Conversely, holes take part in catalysis and electrons diffuse to the core in the case of a TiO2-ZnO CSHJ. The results further revealed that the TiO2-ZnO CSHJ shows ∼1.6 times faster PCA when compared to the ZnO-TiO2 CSHJ because of efficient hole capture by oxygen vacancies, and the lower mobility of holes.

Identification of Zn vacancies in ZnTe doped with Cl and I

NASA Astrophysics Data System (ADS)

Asoka-Kumar, Palakkal; Alatalo, Matti; Wang, Wen

1997-03-01

The doping difficulties of II-VI semiconductors are well known. For example, ZnTe can be doped easily to have p-type conductivity but not n-type. We examined Cl and I doped ZnTe using positron annihilation spectroscopy to understand the role of vacancies in the compensation mechanism. The annihilation line shapes from inner-shell electrons can be used for elemental identification[1]. Results from ZnTe:Cl and ZnTe:I show an enhancement of annihilations with Te electrons compared to undoped samples, and is explained as arising due to first neighbor of a Zn vacancy. Theoretical calculations of the annihilation line shapes from bulk ZnTe and Zn and Te vacancies will also be presented. This work was supported in part by the US DOE under contract No. DE-AC02-76CH00016. [1] P. Asoka-Kumar, M. Alatalo, V.J. Ghosh, A.C. Kruseman, B. Nielsen, and K.G. Lynn, Phys. Rev. Lett. Vol. 77, 2097 (1996).

Shakeoff Ionization near the Coulomb Barrier Energy.

PubMed

Sharma, Prashant; Nandi, T

2017-11-17

We measure the projectile K x-ray spectra as a function of the beam energies around the Coulomb barrier in different collision systems. The energy is scanned in small steps around the barrier aiming to explore the nuclear effects on the elastically scattered projectile ions. The variation of the projectile x-ray energy with the ion-beam energies exhibits an unusual increase in between the interaction barrier and fusion barrier energies. This additional contribution to the projectile ionization can be attributed to the shakeoff of outer-shell electrons of the projectile ions due to the sudden nuclear recoil (∼10^{-21}  sec) caused by the attractive nuclear potential, which gets switched on near the interaction barrier energy. In the sudden approximation limit, the theoretical shakeoff probability calculation due to the nuclear recoil explains the observed data well. In addition to its fundamental interest, such processes can play a significant role in dark matter detection through the possible mechanism of x-ray emissions, where the weakly interacting massive particle-nucleus elastic scattering can lead to the nuclear-recoil-induced inner-shell vacancy creations. Furthermore, the present work may provide new prospects for atomic physics research at barrier energies as well as provide a novel technique to perform barrier distribution studies for two-body systems.

Shakeoff Ionization near the Coulomb Barrier Energy

NASA Astrophysics Data System (ADS)

Sharma, Prashant; Nandi, T.

2017-11-01

We measure the projectile K x-ray spectra as a function of the beam energies around the Coulomb barrier in different collision systems. The energy is scanned in small steps around the barrier aiming to explore the nuclear effects on the elastically scattered projectile ions. The variation of the projectile x-ray energy with the ion-beam energies exhibits an unusual increase in between the interaction barrier and fusion barrier energies. This additional contribution to the projectile ionization can be attributed to the shakeoff of outer-shell electrons of the projectile ions due to the sudden nuclear recoil (˜10-21 sec ) caused by the attractive nuclear potential, which gets switched on near the interaction barrier energy. In the sudden approximation limit, the theoretical shakeoff probability calculation due to the nuclear recoil explains the observed data well. In addition to its fundamental interest, such processes can play a significant role in dark matter detection through the possible mechanism of x-ray emissions, where the weakly interacting massive particle-nucleus elastic scattering can lead to the nuclear-recoil-induced inner-shell vacancy creations. Furthermore, the present work may provide new prospects for atomic physics research at barrier energies as well as provide a novel technique to perform barrier distribution studies for two-body systems.

Single and double carbon vacancies in pyrene as first models for graphene defects: A survey of the chemical reactivity toward hydrogen

NASA Astrophysics Data System (ADS)

Nieman, Reed; Das, Anita; Aquino, Adélia J. A.; Amorim, Rodrigo G.; Machado, Francisco B. C.; Lischka, Hans

2017-01-01

Graphene is regarded as one of the most promising materials for nanoelectronics applications. Defects play an important role in modulating its electronic properties and also enhance its chemical reactivity. In this work the reactivity of single vacancies (SV) and double vacancies (DV) in reaction with a hydrogen atom Hr is studied. Because of the complicated open shell electronic structures of these defects due to dangling bonds, multireference configuration interaction (MRCI) methods are being used in combination with a previously developed defect model based on pyrene. Comparison of the stability of products derived from Csbnd Hr bond formation with different carbon atoms of the different polyaromatic hydrocarbons is made. In the single vacancy case the most stable structure is the one where the incoming hydrogen is bound to the carbon atom carrying the dangling bond. However, stable Csbnd Hr bonded structures are also observed in the five-membered ring of the single vacancy. In the double vacancy, most stable bonding of the reactant Hr atom is found in the five-membered rings. In total, Csbnd Hr bonds, corresponding to local energy minimum structures, are formed with all carbon atoms in the different defect systems and the pyrene itself. Reaction profiles for the four lowest electronic states show in the case of a single vacancy a complex picture of curve crossings and avoided crossings which will give rise to a complex nonadiabatic reaction dynamics involving several electronic states.

Frenkel pair recombinations in UO2: Importance of explicit description of polarizability in core-shell molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Devynck, Fabien; Iannuzzi, Marcella; Krack, Matthias

2012-05-01

The oxygen and uranium Frenkel pair (FP) recombination mechanisms are studied in UO2 using an empirical interatomic potential accounting for the polarizability of the ions, namely a dynamical core-shell model. The results are compared to a more conventional rigid-ion model. Both model types have been implemented into the cp2k program package and thoroughly validated. The overall picture indicates that the FP recombination mechanism is a complex process involving several phenomena. The FP recombination can happen instantaneously when the distance between the interstitial and the vacancy is small or can be thermally activated at larger separation distances. However, other criteria can prevail over the interstitial-vacancy distance. The surrounding environment of the FP defect, the mechanical stiffness of the matrix, and the orientation of the migration path are shown to be major factors acting on the FP lifetime. The core-shell and rigid-ion models provide a similar qualitative description of the FP recombination mechanism. However, the FP stabilities determined by both models significantly differ in the lower temperature range considered. Indeed, the recombination time of the oxygen and uranium FPs can be up to an order of magnitude lower in the core-shell model at T=600 K and T=1800 K, respectively. These differences highlight the importance of the explicit description of polarizability on some crucial properties such as the resistance to amorphization. This refined description of the interatomic interactions would certainly affect the description of the recrystallization process following a displacement cascade. In turn, the self-healing phase would be better accounted for in the core-shell model and the misestimate inherent to the lack of polarizability in the rigid-ion model corrected.

Production of Ne Auger electrons by Ne/+/ bombardment of Mg and Al surfaces

NASA Technical Reports Server (NTRS)

Ferrante, J.; Pepper, S. V.

1976-01-01

A description is given of experiments which provide evidence for the production of an inner shell vacancy in the Ne by the asymmetric Ne-Mg and Ne-Al collision. In addition, autoionization states of neutral Ne have been observed. These states are to be distinguished from the more usual case in Auger electron spectroscopy of de-excitation of an ion with a core vacancy. The experiments involved the bombardment of Mg and Al surfaces with Ne(+) ions. A LEED-Auger system equipped with an ion gun and a four-grid retarding potential analyzer operated in the usual dN(E)/dE mode was used.

L-edge sum rule analysis on 3d transition metal sites: from d10 to d0 and towards application to extremely dilute metallo-enzymes.

PubMed

Wang, Hongxin; Friedrich, Stephan; Li, Lei; Mao, Ziliang; Ge, Pinghua; Balasubramanian, Mahalingam; Patil, Daulat S

2018-03-28

According to L-edge sum rules, the number of 3d vacancies at a transition metal site is directly proportional to the integrated intensity of the L-edge X-ray absorption spectrum (XAS) for the corresponding metal complex. In this study, the numbers of 3d holes are characterized quantitatively or semi-quantitatively for a series of manganese (Mn) and nickel (Ni) complexes, including the electron configurations 3d 10 → 3d 0 . In addition, extremely dilute (<0.1% wt/wt) Ni enzymes were examined by two different approaches: (1) by using a high resolution superconducting tunnel junction X-ray detector to obtain XAS spectra with a very high signal-to-noise ratio, especially in the non-variant edge jump region; and (2) by adding an inert tracer to the sample that provides a prominent spectral feature to replace the weak edge jump for intensity normalization. In this publication, we present for the first time: (1) L-edge sum rule analysis for a series of Mn and Ni complexes that include electron configurations from an open shell 3d 0 to a closed shell 3d 10 ; (2) a systematic analysis on the uncertainties, especially on that from the edge jump, which was missing in all previous reports; (3) a clearly-resolved edge jump between pre-L 3 and post-L 2 regions from an extremely dilute sample; (4) an evaluation of an alternative normalization standard for L-edge sum rule analysis. XAS from two copper (Cu) proteins measured using a conventional semiconductor X-ray detector are also repeated as bridges between Ni complexes and dilute Ni enzymes. The differences between measuring 1% Cu enzymes and measuring <0.1% Ni enzymes are compared and discussed. This study extends L-edge sum rule analysis to virtually any 3d metal complex and any dilute biological samples that contain 3d metals.

Calculated gadolinium atomic electron energy levels and Auger electron emission probability as a function of atomic number Z

NASA Astrophysics Data System (ADS)

Miloshevsky, G. V.; Tolkach, V. I.; Shani, Gad; Rozin, Semion

2002-06-01

Auger electron interaction with matter is gaining importance in particular in medical application of radiation. The production probability and energy spectrum is therefore of great importance. A good source of Auger electrons is the 157Gd(n,γ) 158Gd reaction. The present article describes calculations of electron levels in Gd atoms and provides missing data of outer electron energy levels. The energy of these electron levels missing in published tables, was found to be in the 23-24 and 6-7 eV energy ranges respectively. The probability of Auger emission was calculated as an interaction of wave function of the initial and final electron states. The wave functions were calculated using the Hartree-Fock-Slater approximation with relativistic correction. The equations were solved using a spherical symmetry potential. The error for inner shell level is less than 10%, it is increased to the order of 10-15% for the outer shells. The width of the Auger process changes from 0.1 to 1.2 eV for atomic number Z from 5 to 70. The fluorescence yield width changes five orders of magnitude in this range. Auger electron emission width from the K shell changes from 10 -2 to ˜1 eV with Z changing from 10 to 64, depending on the final state. For the L shell it changes from 0 to 0.25 when it Z changes from 20 to 64.

Magnetism and Mössbauer study of formation of multi-core γ -Fe2O3 nanoparticles

NASA Astrophysics Data System (ADS)

Kamali, Saeed; Bringas, Eugenio; Hah, Hien-Yoong; Bates, Brian; Johnson, Jacqueline A.; Johnson, Charles E.; Stroeve, Pieter

2018-04-01

A systematic investigation of magnetic nanoparticles and the formation of a core-shell structure, consisting of multiple maghemite (γ -Fe2O3) nanoparticles as the core and silica as the shell, has been performed using various techniques. High-resolution transmission electron microscopy clearly shows isolated maghemite nanoparticles with an average diameter of 13 nm and the formation of a core-shell structure. Low temperature Mössbauer spectroscopy reveals the presence of pure maghemite nanoparticles with all vacancies at the B-sites. Isothermal magnetization and zero-field-cooled and field-cooled measurements are used for investigating the magnetic properties of the nanoparticles. The magnetization results are in good accordance with the contents of the magnetic core and the non-magnetic shell. The multiple-core γ -Fe2O3 nanoparticles show similar behavior to isolated particles of the same size.

Structure and photoluminescence properties of TeO2-core/TiO2-shell nanowires

NASA Astrophysics Data System (ADS)

Park, Sunghoon; An, Soyeon; Lee, Chongmu

2013-12-01

TeO2-core/TiO2-shell nanowires were fabricated by thermal evaporation of Te powders and MOCVD of TiO2. The as-synthesized TeO2 nanowires showed a weak broad violet band centered at approximately 430 nm. The emission peak was shifted to a bluish violet region (∼455 nm) by the encapsulation of the nanowires with a TiO2 thin film. The intensity of the major emission from the core-shell nanowires showed strong dependence on the shell layer thickness. The strongest emission was obtained for the shell layer thickness of ∼15 nm and its intensity was approximately 80 times higher than that of the violet emission from the as-synthesized TeO2 nanowires. This enhancement in emission intensity is attributed to the subwavelength optical resonant cavity formation in the shell layer. The major emission intensity was enhanced further and blue-shifted by annealing, which might be attributed to the increase in the Ti interstitial and O vacancy concentrations in the TeO2 cores during annealing.

Radiative lifetimes and transition probabilities for electric-dipole delta n equals zero transitions in highly stripped sulfur ions

NASA Technical Reports Server (NTRS)

Pegg, D. J.; Elston, S. B.; Griffin, P. M.; Forester, J. P.; Thoe, R. S.; Peterson, R. S.; Sellin, I. A.; Hayden, H. C.

1976-01-01

The beam-foil time-of-flight method has been used to investigate radiative lifetimes and transition rates involving allowed intrashell transitions within the L shell of highly ionized sulfur. The results for these transitions, which can be particularly correlation-sensitive, are compared with current calculations based upon multiconfigurational models.

Hydrogenated TiO2 nanotube photonic crystals for enhanced photoelectrochemical water splitting

NASA Astrophysics Data System (ADS)

Meng, Ming; Zhou, Sihua; Yang, Lun; Gan, Zhixing; Liu, Kuili; Tian, Fengshou; Zhu, Yu; Li, ChunYang; Liu, Weifeng; Yuan, Honglei; Zhang, Yan

2018-04-01

We report the design, fabrication and characterization of novel TiO2 nanotube photonic crystals with a crystalline core/disordered shell structure as well as substantial oxygen vacancies for photoelectrochemical (PEC) water splitting. The novel TiO2 nanotube photonic crystals are fabricated by annealing of anodized TiO2 nanotube photonic crystals in hydrogen atmosphere at various temperatures. The optimized novel TiO2 nanotube photonic crystals produce a maximal photocurrent density of 2.2 mA cm-2 at 0.22 V versus Ag/AgCl, which is two times higher that of the TiO2 nanotube photonic crystals annealed in air. Such significant PEC performance improvement can be ascribed to synergistic effects of the disordered surface layer and oxygen vacancies. The reduced band gap owing to the disordered surface layer and localized states induced by oxygen vacancies can enhance the efficient utilization of visible light. In addition, the disordered surface layer and substantial oxygen vacancies can promote the efficiency for separation and transport of the photogenerated carriers. This work may open up new opportunities for the design and construction of the high efficient and low-cost PEC water splitting system.

Hydrogenated TiO2 nanotube photonic crystals for enhanced photoelectrochemical water splitting.

PubMed

Meng, Ming; Zhou, Sihua; Yang, Lun; Gan, Zhixing; Liu, Kuili; Tian, Fengshou; Zhu, Yu; Li, ChunYang; Liu, Weifeng; Yuan, Honglei; Zhang, Yan

2018-04-02

We report the design, fabrication and characterization of novel TiO 2 nanotube photonic crystals with a crystalline core/disordered shell structure as well as substantial oxygen vacancies for photoelectrochemical (PEC) water splitting. The novel TiO 2 nanotube photonic crystals are fabricated by annealing of anodized TiO 2 nanotube photonic crystals in hydrogen atmosphere at various temperatures. The optimized novel TiO 2 nanotube photonic crystals produce a maximal photocurrent density of 2.2 mA cm -2 at 0.22 V versus Ag/AgCl, which is two times higher that of the TiO 2 nanotube photonic crystals annealed in air. Such significant PEC performance improvement can be ascribed to synergistic effects of the disordered surface layer and oxygen vacancies. The reduced band gap owing to the disordered surface layer and localized states induced by oxygen vacancies can enhance the efficient utilization of visible light. In addition, the disordered surface layer and substantial oxygen vacancies can promote the efficiency for separation and transport of the photogenerated carriers. This work may open up new opportunities for the design and construction of the high efficient and low-cost PEC water splitting system.

The role of ion exchange in the passivation of In(Zn)P nanocrystals with ZnS

PubMed Central

Cho, Deok-Yong; Xi, Lifei; Boothroyd, Chris; Kardynal, Beata; Lam, Yeng Ming

2016-01-01

We have investigated the chemical state of In(Zn)P/ZnS core/shell nanocrystals (NCs) for color conversion applications using hard X-ray absorption spectroscopy (XAS) and photoluminescence excitation (PLE). Analyses of the edge energies as well as the X-ray absorption fine structure (XAFS) reveal that the Zn2+ ions from ZnS remain in the shell while the S2− ions penetrate into the core at an early stage of the ZnS deposition. It is further demonstrated that for short growth times, the ZnS shell coverage on the core was incomplete, whereas the coverage improved gradually as the shell deposition time increased. Together with evidence from PLE spectra, where there is a strong indication of the presence of P vacancies, this suggests that the core-shell interface in the In(Zn)P/ZnS NCs are subject to substantial atomic exchanges and detailed models for the shell structure beyond simple layer coverage are needed. This substantial atomic exchange is very likely to be the reason for the improved photoluminescence behavior of the core-shell particles compare to In(Zn)P-only NCs as S can passivate the NCs surfaces. PMID:26972936

Counting vacancies and nitrogen-vacancy centers in detonation nanodiamond† †Electronic supplementary information (ESI) available: (1) DND synthesis; (2) HRTEM and EELS characterization methods; (3) EELS simulation method; (4) supporting figures of EELS simulations; (5) soft-X-ray K-edge spectra of the DND; and (6) ab initio N-V center modeling method. See DOI: 10.1039/C6NR01888B Click here for additional data file.

PubMed Central

Barnard, Amanda S.; Dwyer, Christian; Boothroyd, Chris B.; Hocking, Rosalie K.; Ōsawa, Eiji

2016-01-01

Detonation nanodiamond particles (DND) contain highly-stable nitrogen-vacancy (N-V) centers, making it important for quantum-optical and biotechnology applications. However, due to the small particle size, the N-V concentrations are believed to be intrinsically very low, spawning efforts to understand the formation of N-V centers and vacancies, and increase their concentration. Here we show that vacancies in DND can be detected and quantified using simulation-aided electron energy loss spectroscopy. Despite the small particle size, we find that vacancies exist at concentrations of about 1 at%. Based on this experimental finding, we use ab initio calculations to predict that about one fifth of vacancies in DND form N-V centers. The ability to directly detect and quantify vacancies in DND, and predict the corresponding N-V formation probability, has a significant impact to those emerging technologies where higher concentrations and better dispersion of N-V centres are critically required. PMID:27147128

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Federal Register 2010, 2011, 2012, 2013, 2014

2013-05-13

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Positron annihilation spectroscopy investigation of vacancy defects in neutron-irradiated 3 C -SiC

DOE PAGES

Hu, Xunxiang; Koyanagi, Takaaki; Katoh, Yutai; ...

2017-03-10

We described positron annihilation spectroscopy characterization results for neutron-irradiated 3 C -SiC, with a specific focus on explaining the size and character of vacancy clusters as a complement to the current understanding of the neutron irradiation response of 3 C -SiC. Positron annihilation lifetime spectroscopy was used to capture the irradiation temperature and dose dependence of vacancy defects in 3 C -SiC following neutron irradiation from 0.01 to 31 dpa in the temperature range from 380C °to 790C .° The neutral and negatively charged vacancy clusters were identified and quantified. The results suggest that the vacancy defects that were measuredmore » by positron annihilation spectroscopy technique contribute very little to the transient swelling of SiC. Additionally, we used coincidence Doppler broadening measurement to investigate the chemical identity surrounding the positron trapping sites.Finally, we found that silicon vacancy-related defects dominate in the studied materials and the production of the antisite defect C Si may result in an increase in the probability of positron annihilation with silicon core electrons.« less

Size Dependent Pore Formation in Germanium Nanowires Undergoing Reversible Delithiation Observed by In Situ TEM

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

Lu, Xiaotang; He, Yang; Mao, Scott X.

Germanium (Ge) nanowires coated with an amorphous silicon (Si) shell undergoing lithiation and delithiation were studied using in situ transmission electron microscopy (TEM). Delithiation creates pores in nanowires with diameters larger than ~25 nm, but not in smaller diameter nanowires. The formation of pores in Ge nanowires undergoing delithiation has been observed before in in situ TEM experiments, but there has been no indication that a critical diameter exists below which pores do not form. Pore formation occurs as a result of fast lithium diffusion compared to vacancy migration. We propose that a short diffusion path for vacancies to themore » nanowire surface plays a role in limiting pore formation even when lithium diffusion is fast.« less

Time-resolved atomic inner-shell spectroscopy

NASA Astrophysics Data System (ADS)

Drescher, M.; Hentschel, M.; Kienberger, R.; Uiberacker, M.; Yakovlev, V.; Scrinzi, A.; Westerwalbesloh, Th.; Kleineberg, U.; Heinzmann, U.; Krausz, F.

2002-10-01

The characteristic time constants of the relaxation dynamics of core-excited atoms have hitherto been inferred from the linewidths of electronic transitions measured by continuous-wave extreme ultraviolet or X-ray spectroscopy. Here we demonstrate that a laser-based sampling system, consisting of a few-femtosecond visible light pulse and a synchronized sub-femtosecond soft X-ray pulse, allows us to trace these dynamics directly in the time domain with attosecond resolution. We have measured a lifetime of 7.9-0.9^{+1.0fs of M-shell vacancies of krypton in such a pump-probe experiment.}

Black TiO2 synthesized via magnesiothermic reduction for enhanced photocatalytic activity

NASA Astrophysics Data System (ADS)

Wang, Xiangdong; Fu, Rong; Yin, Qianqian; Wu, Han; Guo, Xiaoling; Xu, Ruohan; Zhong, Qianyun

2018-04-01

Utilizing solar energy for hydrogen evolution is a great challenge for its insufficient visible-light power conversion. In this paper, we report a facile magnesiothermic reduction of commercial TiO2 nanoparticles under Ar atmosphere and at 550 °C followed by acid treatment to synthesize reduced black TiO2 powders, which possesses a unique crystalline core-amorphous shell structure composed of disordered surface and oxygen vacancies and shows significantly improved optical absorption in the visible region. The unique core-shell structure and high absorption enable the reduced black TiO2 powders to exhibit enhanced photocatalytic activity, including splitting of water in the presence of Pt as a cocatalyst and degradation of methyl blue (MB) under visible light irradiation. Photocatalytic evaluations indicate that the oxygen vacancies play key roles in the catalytic process. The maximum hydrogen production rates are 16.1 and 163 μmol h-1 g-1 under the full solar wavelength range of light and visible light, respectively. This facile and versatile method could be potentially used for large scale production of colored TiO2 with remarkable enhancement in the visible light absorption and solar-driven hydrogen production.

L-edge sum rule analysis on 3d transition metal sites: from d 10 to d 0 and towards application to extremely dilute metallo-enzymes

DOE PAGES

Wang, Hongxin; Friedrich, Stephan; Li, Lei; ...

2018-02-13

According to L-edge sum rules, the number of 3d vacancies at a transition metal site is directly proportional to the integrated intensity of the L-edge X-ray absorption spectrum (XAS) for the corresponding metal complex. In this study, the numbers of 3d holes are characterized quantitatively or semi-quantitatively for a series of manganese (Mn) and nickel (Ni) complexes, including the electron configurations 3d 10 → 3d 0. In addition, extremely dilute (<0.1% wt/wt) Ni enzymes were examined by two different approaches: (1) by using a high resolution superconducting tunnel junction X-ray detector to obtain XAS spectra with a very high signal-to-noisemore » ratio, especially in the non-variant edge jump region; and (2) by adding an inert tracer to the sample that provides a prominent spectral feature to replace the weak edge jump for intensity normalization. In this publication, we present for the first time: (1) L-edge sum rule analysis for a series of Mn and Ni complexes that include electron configurations from an open shell 3d0 to a closed shell 3d 10; (2) a systematic analysis on the uncertainties, especially on that from the edge jump, which was missing in all previous reports; (3) a clearly-resolved edge jump between pre-L 3 and post-L 2 regions from an extremely dilute sample; (4) an evaluation of an alternative normalization standard for L-edge sum rule analysis. XAS from two copper (Cu) proteins measured using a conventional semiconductor X-ray detector are also repeated as bridges between Ni complexes and dilute Ni enzymes. The differences between measuring 1% Cu enzymes and measuring <0.1% Ni enzymes are compared and discussed. As a result, this study extends L-edge sum rule analysis to virtually any 3d metal complex and any dilute biological samples that contain 3d metals.« less

L-edge sum rule analysis on 3d transition metal sites: from d 10 to d 0 and towards application to extremely dilute metallo-enzymes

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

Wang, Hongxin; Friedrich, Stephan; Li, Lei

According to L-edge sum rules, the number of 3d vacancies at a transition metal site is directly proportional to the integrated intensity of the L-edge X-ray absorption spectrum (XAS) for the corresponding metal complex. In this study, the numbers of 3d holes are characterized quantitatively or semi-quantitatively for a series of manganese (Mn) and nickel (Ni) complexes, including the electron configurations 3d 10 → 3d 0. In addition, extremely dilute (<0.1% wt/wt) Ni enzymes were examined by two different approaches: (1) by using a high resolution superconducting tunnel junction X-ray detector to obtain XAS spectra with a very high signal-to-noisemore » ratio, especially in the non-variant edge jump region; and (2) by adding an inert tracer to the sample that provides a prominent spectral feature to replace the weak edge jump for intensity normalization. In this publication, we present for the first time: (1) L-edge sum rule analysis for a series of Mn and Ni complexes that include electron configurations from an open shell 3d0 to a closed shell 3d 10; (2) a systematic analysis on the uncertainties, especially on that from the edge jump, which was missing in all previous reports; (3) a clearly-resolved edge jump between pre-L 3 and post-L 2 regions from an extremely dilute sample; (4) an evaluation of an alternative normalization standard for L-edge sum rule analysis. XAS from two copper (Cu) proteins measured using a conventional semiconductor X-ray detector are also repeated as bridges between Ni complexes and dilute Ni enzymes. The differences between measuring 1% Cu enzymes and measuring <0.1% Ni enzymes are compared and discussed. As a result, this study extends L-edge sum rule analysis to virtually any 3d metal complex and any dilute biological samples that contain 3d metals.« less

Tuning the thermoelectric properties of A-site deficient SrTiO3 ceramics by vacancies and carrier concentration.

PubMed

Srivastava, Deepanshu; Norman, Colin; Azough, Feridoon; Schäfer, Marion C; Guilmeau, Emmanuel; Kepaptsoglou, Demie; Ramasse, Quentin M; Nicotra, Giuseppe; Freer, Robert

2016-09-29

Ceramics based on Sr 0.8 La 0.067 Ti 0.8 Nb 0.2 O 3-δ have been prepared by the mixed oxide route. The La 1/3 NbO 3 component generates ∼13.4% A-site vacancies; this was fixed for all samples. Powders were sintered under air and reducing conditions at 1450 to 1700 K; products were of high density (>90% theoretical). Processing under reducing conditions led to the formation of a Ti 1-x Nb x O 2-y second phase, core-shell structures and oxygen deficiency. X-ray diffraction (XRD) confirmed a simple cubic structure with space group Pm3[combining macron]m. Transmission electron microscopy revealed a high density of dislocations while analytical scanning transmission electron microscopy at atomic resolution demonstrated a uniform distribution of La, Nb and vacancies in the lattice. X-ray photoemission spectroscopy and thermogravimetry showed the oxygen deficiency (δ value) to be ∼0.08 in reduced samples with enhanced carrier concentrations ∼2 × 10 21 cm -3 . Both carrier concentration and carrier mobility increased with sintering time, giving a maximum figure of merit (ZT) of 0.25. Selective additional doping by La or Nb, with no additional A site vacancies, led to the creation of additional carriers and reduced electrical resistivity. Together these led to enhanced ZT values of 0.345 at 1000 K. The contributions from oxygen vacancies and charge carriers have been investigated independently.

A Solar Model with g-Modes

NASA Technical Reports Server (NTRS)

Wolff, Charles L.; Niemann, Hasso (Technical Monitor)

2002-01-01

Good evidence is assembled showing that the Suit's core arid surface vary on time scales from a month to a decade arid that a number of scales are similar. The most plausible source for numerous long time scales and periodicities is long-lived global oscillations. This suggests g-modes (oscillations restored mainly by buoyancy) because they particularly affect the core and base of the convective envelope, which then indirectly modulates the surface. Also, standing g-modes have rotational properties that match many observed periodicities. But the standard solar model (SSM) has a static core and excites few if any g-modes. making new interior structures worth exploring. The model outlined here assumes two well mixed shells near 0.18 and 0.68 R, (13 = solar radius) where sound speed data shows sharp deviations from the SSM. Mixing is sustained by flows driven by the oscillations. The shells form a cavity that excludes g-modes from their main damping region below 0.1 R, assisting their net excitation and increasing their oscillation periods by at least a factor of two and probably much more. In terms of the solar luminosity L, the modes transport up through the cavity a power approx. 0.004 L as a lower limit and 0.11 L as all upper limit. The modes dissipate energy in the outer shell and cool the inner shell, asymmetrically in each case, and this stimulates occasional convective events whose response time is typically 0.8 years longer near the inner shell. Such events cool the core and reduce neutrino flux while heating the envelope and increasing solar activity. This gives a physical basis for a well mixed Sun with low neutrino flux and basis for the observed anticorrelation and lag of neutrino behind surface activity.

Exchange and relaxation effects in low-energy radiationless transitions

NASA Technical Reports Server (NTRS)

Chen, M. H.; Crasemann, B.; Aoyagi, M.; Mark, H.

1978-01-01

The effect on low-energy atomic inner-shell Coster-Kronig and super Coster-Kronig transitions that is produced by relaxation and by exchange between the continuum electron and bound electrons was examined and illustrated by specific calculations for transitions that deexcite the 3p vacancy state of Zn. Taking exchange and relaxation into account is found to reduce, but not to eliminate, the discrepancies between theoretical rates and measurements.

Atomic Data for the K-vacancy States of Fe XXIV

NASA Technical Reports Server (NTRS)

Bautista, M. A.; Mendoza, C.; Kallman, T. R.; Palmeri, P.

2003-01-01

As part of a project to compute improved atomic data for the spectral modeling of iron K lines, we report extensive calculations and comparisons of atomic data for K-vacancy states in Fe XXIV. The data sets include: (i) energy levels, line wavelengths, radiative and Auger rates; (ii) inner-shell electron impact excitation rates and (iii) fine structure inner-shell photoionization cross sections. The calculations of energy levels and radiative and Auger rates have involved a detailed study of orbital representations, core relaxation, configuration interaction, relativistic corrections, cancellation effects and semi-empirical corrections. It is shown that a formal treatment of the Breit interaction is essential to render the important magnetic correlations that take part in the decay pathways of this ion. As a result, the accuracy of the present A-values is firmly ranked at better than 10% while that of the Auger rates at only 15%. The calculations of collisional excitation and photoionization cross sections take into account the effects of radiation and spectator Auger dampings. In the former, these effects cause significant attenuation of resonances leading to a good agreement with a simpler method where resonances are excluded. In the latter, resonances converging to the K threshold display symmetric profiles of constant width that causes edge smearing.

Atomic Data for the K-Vacancy States of Fe XXIV

NASA Technical Reports Server (NTRS)

Bautista, M. A.; Mendoza, C.; Kallman, T. R.; Palmeri, P.

2002-01-01

As part of a project to compute improved atomic data for the spectral modeling of iron K lines, we report extensive calculations and comparisons of atomic data for K-vacancy states in Fe XXIV. The data sets include: (i) energy levels, line wavelengths, radiative and Auger rates; (ii) inner-shell electron impact excitation rates and (iii) fine structure inner-shell photoionization cross sections. The calculations of energy levels and radiative and Auger rates have involved a detailed study of orbital representations, core relaxation, configuration interaction, relativistic corrections, cancellation effects and semi-empirical corrections. It is shown that a formal treatment of the Breit interaction is essential to render the important magnetic correlations that take part in the decay pathways of this ion. As a result, the accuracy of the present A-values is firmly ranked at better than 10% while that of the Auger rates at only 15%. The calculations of collisional excitation and photoionization cross sections take into account the effects of radiation and spectator Auger dampings. In the former, these effects cause significant attenuation of resonances leading to a good agreement with a simpler method where resonances are excluded. In the latter, resonances converging to the K threshold display symmetric profiles of constant width that causes edge smearing.

Investigation of hydrogen interaction with defects in zirconia

NASA Astrophysics Data System (ADS)

Melikhova, O.; Kuriplach, J.; Čížek, J.; Procházka, I.; Brauer, G.; Anwand, W.

2010-04-01

Defect studies of a ZrO2 + 9 mol. % Y2O3 single crystal were performed in this work using a high resolution positron lifetime spectroscopy combined with slow positron implantation spectroscopy. In order to elucidate the nature of positron trapping sites observed experimentally, the structural relaxations of several types of vacancy-like defects in zirconia were performed and positron characteristics for them were calculated. Relaxed atomic configurations of studied defects were obtained by means of ab initio pseudopotential method within the supercell approach. Theoretical calculations indicated that neither oxygen vacancies nor their neutral complexes with substitute yttrium atoms are capable of positron trapping. On the other hand, zirconium vacancies are deep positron traps and are most probably responsible for the saturated positron trapping observed in yttria stabilized zirconia single crystals. However, the calculated positron lifetime for zirconium vacancy is apparently longer than the experimental value corresponding to a single-component spectrum measured for the cubic ZrO2 + 9 mol. % Y2O3 single crystal. It was demonstrated that this effect can be explained by hydrogen trapped in zirconium vacancies. On the basis of structure relaxations, we found that zirconium vacancy - hydrogen complexes represent deep positron traps with the calculated lifetime close to the experimental one. In zirconium vacancy - hydrogen complexes the hydrogen atom forms an O-H bond with one of the nearest neighbour oxygen atoms. The calculated bond length is close to 1 Å.

A Designed ZnO@ZIF-8 Core-Shell Nanorod Film as a Gas Sensor with Excellent Selectivity for H2 over CO.

PubMed

Wu, Xiaonan; Xiong, Shunshun; Mao, Zhenghao; Hu, Sheng; Long, Xinggui

2017-06-12

The development of H 2 gas sensors is important for H 2 production as a fuel. In this work, a ZnO@ZIF-8 core-shell nanorod film is designed and synthesized as a gas sensor through a facile solution deposition process. This film shows an excellent selective response for H 2 over CO. By fine-tuning the reaction conditions, a ZnO@ZIF-8 core-shell structure with a thin, fine-grain, porous ZIF-8 shell is obtained. Owing to the facile H 2 penetration through the ZIF-8 thin shell (≈110 nm) and the increased oxygen vacancies for the complex film, the ZnO@ZIF-8 nanorod film shows a higher H 2 sensitivity than a raw ZnO nanorod film. More importantly, the ZnO@ZIF-8 nanorod film shows no response for CO at 200 °C. Because of the fine-grain confinement of the porous ZIF-8 shell (<140 nm), the molecular sieving effect is strengthened, which allows the effective separation of H 2 over CO. This work provides a promising strategy for the design of high-performance H 2 sensors. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

Reynolds, Emily; Kennedy, Brendan J.; Avdeev, Maxim

A combination of S-XRD and NPD demonstrate the structure of Ba{sub 2}Y{sub 0.879}UO{sub 6+x} to be monoclinic in space group I2/m. That the U is hexavalent is evident from the U L{sub 2}-edge XANES measurements. This appears to be a rare example of a double perovskite containing vacancies at the octahedral B-sites and interstitial oxygen defects, which combine to stabilise hexavalent U and appears to be a consequence of the preparation of the sample in air. The Y vacancies, coupled with anion disorder, results in a distortion of the BO{sub 6} octahedra. - Graphical abstract: The structure of Ba{sub 2}Y{submore » 0.879}UO{sub 6+x} is shown to be a rare example of a double perovskite containing vacancies at the octahedral B-sites and interstitial oxygen defects. - Highlights: • Structure of Ba{sub 2}Y{sub 0.879}UO{sub 6+x} refined. • U L-edge XANES demonstrates the U is hexavalent. • Rare example of a perovskite containing vacancies at the octahedral B-site. • Y vacancies result in a distortion of the BO{sub 6} octahedra.« less

A non-LTE analysis of high energy density Kr plasmas on Z and NIF

NASA Astrophysics Data System (ADS)

Dasgupta, A.; Clark, R. W.; Ouart, N.; Giuliani, J.; Velikovich, A.; Ampleford, D. J.; Hansen, S. B.; Jennings, C.; Harvey-Thompson, A. J.; Jones, B.; Flanagan, T. M.; Bell, K. S.; Apruzese, J. P.; Fournier, K. B.; Scott, H. A.; May, M. J.; Barrios, M. A.; Colvin, J. D.; Kemp, G. E.

2016-10-01

Multi-keV X-ray radiation sources have a wide range of applications, from biomedical studies and research on thermonuclear fusion to materials science and astrophysics. The refurbished Z pulsed power machine at the Sandia National Laboratories produces intense multi-keV X-rays from argon Z-pinches, but for a krypton Z-pinch, the yield decreases much faster with atomic number ZA than similar sources on the National Ignition Facility (NIF) laser at the Lawrence Livermore National Laboratory. To investigate whether fundamental energy deposition differences between pulsed power and lasers could account for the yield differences, we consider the Kr plasma on the two machines. The analysis assumes the plasma not in local thermodynamic equilibrium, with a detailed coupling between the hydrodynamics, the radiation field, and the ionization physics. While for the plasma parameters of interest the details of krypton's M-shell are not crucial, both the L-shell and the K-shell must be modeled in reasonable detail, including the state-specific dielectronic recombination processes that significantly affect Kr's ionization balance and the resulting X-ray spectrum. We present a detailed description of the atomic model, provide synthetic K- and L-shell spectra, and compare these with the available experimental data from the Z-machine and from NIF to show that the K-shell yield behavior versus ZA is indeed related to the energy input characteristics. This work aims at understanding the probable causes that might explain the differences in the X-ray conversion efficiencies of several radiation sources on Z and NIF.

The Expanding Bipolar Shell of the Helium Nova V445 Puppis

NASA Astrophysics Data System (ADS)

Woudt, P. A.; Steeghs, D.; Karovska, M.; Warner, B.; Groot, P. J.; Nelemans, G.; Roelofs, G. H. A.; Marsh, T. R.; Nagayama, T.; Smits, D. P.; O'Brien, T.

2009-11-01

From multi-epoch adaptive optics imaging and integral field unit spectroscopy, we report the discovery of an expanding and narrowly confined bipolar shell surrounding the helium nova V445 Puppis (Nova Puppis 2000). An equatorial dust disc obscures the nova remnant, and the outflow is characterized by a large polar outflow velocity of 6720 ± 650 km s-1 and knots moving at even larger velocities of 8450 ± 570 km s-1. We derive an expansion parallax distance of 8.2 ± 0.5 kpc and deduce a pre-outburst luminosity of the underlying binary of log L/L sun = 4.34 ± 0.36. The derived luminosity suggests that V445 Puppis probably contains a massive white dwarf accreting at high rate from a helium star companion making it part of a population of binary stars that potentially lead to supernova Ia explosions due to accumulation of helium-rich material on the surface of a massive white dwarf.

Oxygen vacancy induced structural evolution of SrFeO3 -x epitaxial thin film from brownmillerite to perovskite

NASA Astrophysics Data System (ADS)

Roh, Seulki; Lee, Seokbae; Lee, Myounghoon; Seo, Yu-Seong; Khare, Amit; Yoo, Taesup; Woo, Sungmin; Choi, Woo Seok; Hwang, Jungseek; Glamazda, A.; Choi, K.-Y.

2018-02-01

We investigated SrFeO3 -x thin films on a SrTiO3 (001) substrate prepared via pulsed laser epitaxy using an optical spectroscopy technique. The oxygen vacancy level (x ) was controlled by post-annealing processes at different oxygen partial pressures. We achieved a brownmillerite (BM) structure at x =0.5 and observed the evolution of the crystal structure from BM into perovskite (PV) as the oxygen concentration increased. We observed the evolution of infrared-active phonons with respect to the oxygen concentration, which was closely related to the structural evolution observed via x-ray diffraction. We identified the phonons using the shell-model calculation. Furthermore, we studied temperature-dependent behaviors of the phonon modes of three representative samples: PV and two BMs (BMoop and BMip) with different orientations of the oxygen vacancy channel. In the BMoop sample, we observed a phonon mode, which exhibited an unusual redshift with decreasing temperature; this behavior may have been due to the apical oxygen instability in the FeO6 octahedron. Our results provide important information regarding the ionic conduction mechanism in SrFeO3 -x material systems.

Novel highly ordered core–shell nanoparticles

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

Dey, Sonal; Hossain, Mohammad D.; Mayanovic, Robert A.

2016-10-26

Core–shell nanoparticles have potential for a wide range of applications due to the tunability of their magnetic, catalytic, electronic, optical, and other physicochemical properties. A frequent drawback in the design of core–shell nanoparticles and nanocrystals is the lack of control over an extensive, disordered, and compositionally distinct interface that occurs due to the dissimilarity of structural and compositional phases of the core and shell. In this work, we demonstrate a new hydrothermal nanophase epitaxy (HNE) technique to synthesize highly structurally ordered α-Cr 2O 3@α-Co 0.38Cr 1.62O 2.92 inverted core–shell nanoparticles (CSNs) with evidence for the nanoscale growth of corundum structuremore » beginning from the core and extending completely into the shell of the CSNs with minimal defects at the interface. The high-resolution TEM results show a sharp interface exhibiting epitaxial atomic registry of shell atoms over highly ordered core atoms. The XPS and Co K-edge XANES analyses indicate the +2 oxidation state of cobalt is incorporated in the shell of the CSNs. Our XPS and EXAFS results are consistent with oxygen vacancy formation in order to maintain charge neutrality upon substitution of the Co 2+ ion for the Cr 3+ ion in the α-Co 0.38Cr 1.62O 2.92 shell. Furthermore, the CSNs exhibit the magnetic exchange bias effect, which is attributed to the exchange anisotropy at the interface made possible by the nanophase epitaxial growth of the α-Co 0.38Cr 1.62O 2.92 shell on the α-Cr 2O 3 core of the nanoparticles. The combination of a well-structured, sharp interface and novel nanophase characteristics is highly desirable for nanostructures having enhanced magnetic properties.« less

Oxidation driven ZnS Core-ZnO shell photocatalysts under controlled oxygen atmosphere for improved photocatalytic solar water splitting

NASA Astrophysics Data System (ADS)

Bak, Daegil; Kim, Jung Hyeun

2018-06-01

Zinc type photocatalysts attract great attentions in solar hydrogen production due to their easy availability and benign environmental characteristics. Spherical ZnS particles are synthesized with a facile hydrothermal method, and they are further used as core materials to introduce ZnO shell layer surrounding the core part by partial oxidation under controlled oxygen contents. The resulting ZnS core-ZnO shell photocatalysts represent the heterostructural type II band alignment. The existence of oxide layer also influences on proton adsorption power with an aid of strong base cites derived from highly electronegative oxygen atoms in ZnO shell layer. Photocatalytic water splitting reaction is performed to evaluate catalyst efficiency under standard one sun condition, and the highest hydrogen evolution rate (1665 μmolg-1h-1) is achieved from the sample oxidized at 16.2 kPa oxygen pressure. This highest hydrogen production rate is achieved in cooperation with increased light absorption and promoted charge separations. Photoluminescence analysis reveals that the improved visible light response is obtained after thermal oxidation process due to the oxygen vacancy states in the ZnO shell layer. Therefore, overall photocatalytic efficiency in solar hydrogen production is enhanced by improved charge separations, crystallinity, and visible light responses from the ZnS core-ZnO shell structures induced by thermal oxidation.

Energy Migration Upconversion in Manganese(II)-Doped Nanoparticles.

PubMed

Li, Xiyan; Liu, Xiaowang; Chevrier, Daniel M; Qin, Xian; Xie, Xiaoji; Song, Shuyan; Zhang, Hongjie; Zhang, Peng; Liu, Xiaogang

2015-11-02

We report the synthesis and characterization of cubic NaGdF4:Yb/Tm@NaGdF4:Mn core-shell structures. By taking advantage of energy transfer through Yb→Tm→Gd→Mn in these core-shell nanoparticles, we have realized upconversion emission of Mn(2+) at room temperature in lanthanide tetrafluoride based host lattices. The upconverted Mn(2+) emission, enabled by trapping the excitation energy through a Gd(3+) lattice, was validated by the observation of a decreased lifetime from 941 to 532 μs in the emission of Gd(3+) at 310 nm ((6)P(7/2)→(8)S(7/2)). This multiphoton upconversion process can be further enhanced under pulsed laser excitation at high power densities. Both experimental and theoretical studies provide evidence for Mn(2+) doping in the lanthanide-based host lattice arising from the formation of F(-) vacancies around Mn(2+) ions to maintain charge neutrality in the shell layer. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

The generation and accumulation of interstitial atoms and vacancies in alloys with L1{sub 2} superstructure

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

Pantyukhova, Olga, E-mail: Pantyukhova@list.ru; Starenchenko, Vladimir, E-mail: star@tsuab.ru; Starenchenko, Svetlana, E-mail: sve-starenchenko@yandex.ru

2016-01-15

The dependences of the point defect concentration (interstitial atoms and vacancies) on the deformation degree were calculated for the L1{sub 2} alloys with the high and low antiphase boundaries (APB) energy in terms of the mathematical model of the work and thermal strengthening of the alloys with the L1{sub 2} structure; the concentration of the point defects generated and annihilated in the process of deformation was estimated. It was found that the main part of the point defects generating during plastic deformation annihilates, the residual density of the deformation point defects does not exceed 10{sup −5}.

The study of optical property of sapphire irradiated with 73 MeV Ca ions

NASA Astrophysics Data System (ADS)

Yang, Yitao; Zhang, Chonghong; Song, Yin; Gou, Jie; Liu, Juan; Xian, Yongqiang

2015-12-01

Single crystals of sapphire were irradiated with 73 MeV Ca ions at room temperature to the fluences of 0.1, 0.5 and 1.0 × 1014 ions/cm2. Optical properties of these samples were characterized by ultraviolet-visible spectrometry (UV-VIS) and fluorescence spectrometer (PL). In UV-VIS spectra, it is observed the absorbance bands from oxygen single vacancy (F and F+ color centers) and vacancy pair (F2+ and F22+ color centers). The oxygen single vacancy initially increases rapidly and then does not increase in the fluence range from 0.1 to 0.5 × 1014 ions/cm2. When the fluence is higher than 0.5 × 1014 ions/cm2, oxygen single vacancy starts to increase again. Oxygen vacancy pair increases monotonically with fluence for all irradiated samples. The variation of oxygen single vacancy with fluence is probably associated with the recombination of oxygen vacancies with Al interstitials and complex defect formation (such as vacancy clusters). From PL spectra, two emission bands around 3.1 and 2.34 eV are observed. The PL intensity of the emission band around 3.1 eV decreases for all the irradiated samples. For the emission band around 2.34 eV, the PL intensity initially decreases, and then increases with fluence. Meanwhile, the peak position of the emission band around 2.34 eV gradually shifts to high energy direction with increase of fluence. The decrease of the intensity of the emission bands around 3.1 and 2.34 eV could be induced by stress from the damage layer in the irradiated samples. The shift of peak position for the emission band around 2.34 eV is induced by the appearance of emission band from Al interstitials.

Precipitates and voids in cubic silicon carbide implanted with 25Mg+ ions

NASA Astrophysics Data System (ADS)

Jiang, Weilin; Spurgeon, Steven R.; Liu, Jia; Schreiber, Daniel K.; Jung, Hee Joon; Devaraj, Arun; Edwards, Danny J.; Henager, Charles H.; Kurtz, Richard J.; Wang, Yongqiang

2018-01-01

Single crystal cubic phase silicon carbide (3C-SiC) films on Si were implanted to 9.6 × 101625Mg+/cm2 at 673 K and annealed at 1073 and 1573 K for 2, 6, and 12 h in an Ar environment. The data from scanning transmission election microscopy (STEM) and electron energy loss spectroscopy (EELS) mapping suggest a possible formation of unidirectionally aligned tetrahedral precipitates of core (MgC2)-shell (Mg2Si) in the implanted sample annealed at 1573 K for 12 h. There are also small spherical voids near the surface and larger faceted voids around the region of maximum vacancy concentration. Atom probe tomography confirms 25Mg segregation dominated by small atomic clusters with local 25Mg concentrations up to 85 at.%. The resulting precipitate size and number density are found to decrease and increase, respectively, probably as a result of the thermal annealing that decomposes the 25Mg-bearing precipitates at the elevated temperatures and subsequent nucleation and growth below 1073 K during the cooling stage. The results from this study provide data needed to fully understand the property degradation of SiC in a high-flux fast neutron environment.

A non-LTE analysis of high energy density Kr plasmas on Z and NIF

DOE PAGES

Dasgupta, A.; Clark, R. W.; Ouart, N.; ...

2016-10-20

We report that multi-keV X-ray radiation sources have a wide range of applications, from biomedical studies and research on thermonuclear fusion to materials science and astrophysics. The refurbished Z pulsed power machine at the Sandia National Laboratories produces intense multi-keV X-rays from argon Z-pinches, but for a krypton Z-pinch, the yield decreases much faster with atomic number Z A than similar sources on the National Ignition Facility (NIF) laser at the Lawrence Livermore National Laboratory. To investigate whether fundamental energy deposition differences between pulsed power and lasers could account for the yield differences, we consider the Kr plasma on themore » two machines. The analysis assumes the plasma not in local thermodynamic equilibrium, with a detailed coupling between the hydrodynamics, the radiation field, and the ionization physics. While for the plasma parameters of interest the details of krypton’s M-shell are not crucial, both the L-shell and the K-shell must be modeled in reasonable detail, including the state-specific dielectronic recombination processes that significantly affect Kr’s ionization balance and the resulting X-ray spectrum. We present a detailed description of the atomic model, provide synthetic K- and L-shell spectra, and compare these with the available experimental data from the Z-machine and from NIF to show that the K-shell yield behavior versus Z A is indeed related to the energy input characteristics. In conclusion, this work aims at understanding the probable causes that might explain the differences in the X-ray conversion efficiencies of several radiation sources on Z and« less

A non-LTE analysis of high energy density Kr plasmas on Z and NIF

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

Dasgupta, A.; Clark, R. W.; Ouart, N.

We report that multi-keV X-ray radiation sources have a wide range of applications, from biomedical studies and research on thermonuclear fusion to materials science and astrophysics. The refurbished Z pulsed power machine at the Sandia National Laboratories produces intense multi-keV X-rays from argon Z-pinches, but for a krypton Z-pinch, the yield decreases much faster with atomic number Z A than similar sources on the National Ignition Facility (NIF) laser at the Lawrence Livermore National Laboratory. To investigate whether fundamental energy deposition differences between pulsed power and lasers could account for the yield differences, we consider the Kr plasma on themore » two machines. The analysis assumes the plasma not in local thermodynamic equilibrium, with a detailed coupling between the hydrodynamics, the radiation field, and the ionization physics. While for the plasma parameters of interest the details of krypton’s M-shell are not crucial, both the L-shell and the K-shell must be modeled in reasonable detail, including the state-specific dielectronic recombination processes that significantly affect Kr’s ionization balance and the resulting X-ray spectrum. We present a detailed description of the atomic model, provide synthetic K- and L-shell spectra, and compare these with the available experimental data from the Z-machine and from NIF to show that the K-shell yield behavior versus Z A is indeed related to the energy input characteristics. In conclusion, this work aims at understanding the probable causes that might explain the differences in the X-ray conversion efficiencies of several radiation sources on Z and« less

Assuring Life in Composite Systems

NASA Technical Reports Server (NTRS)

Chamis, Christos c.

2008-01-01

A computational simulation method is presented to assure life in composite systems by using dynamic buckling of smart composite shells as an example. The combined use of composite mechanics, finite element computer codes, and probabilistic analysis enable the effective assessment of the dynamic buckling load of smart composite shells. A universal plot is generated to estimate the dynamic buckling load of composite shells at various load rates and probabilities. The shell structure is also evaluated with smart fibers embedded in the plies right below the outer plies. The results show that, on the average, the use of smart fibers improved the shell buckling resistance by about 9% at different probabilities and delayed the buckling occurrence time. The probabilistic sensitivities results indicate that uncertainties in the fiber volume ratio and ply thickness have major effects on the buckling load. The uncertainties in the electric field strength and smart material volume fraction have moderate effects and thereby in the assured life of the shell.

Probability-based methodology for buckling investigation of sandwich composite shells with and without cut-outs

NASA Astrophysics Data System (ADS)

Alfano, M.; Bisagni, C.

2017-01-01

The objective of the running EU project DESICOS (New Robust DESign Guideline for Imperfection Sensitive COmposite Launcher Structures) is to formulate an improved shell design methodology in order to meet the demand of aerospace industry for lighter structures. Within the project, this article discusses the development of a probability-based methodology developed at Politecnico di Milano. It is based on the combination of the Stress-Strength Interference Method and the Latin Hypercube Method with the aim to predict the bucking response of three sandwich composite cylindrical shells, assuming a loading condition of pure compression. The three shells are made of the same material, but have different stacking sequence and geometric dimensions. One of them presents three circular cut-outs. Different types of input imperfections, treated as random variables, are taken into account independently and in combination: variability in longitudinal Young's modulus, ply misalignment, geometric imperfections, and boundary imperfections. The methodology enables a first assessment of the structural reliability of the shells through the calculation of a probabilistic buckling factor for a specified level of probability. The factor depends highly on the reliability level, on the number of adopted samples, and on the assumptions made in modeling the input imperfections. The main advantage of the developed procedure is the versatility, as it can be applied to the buckling analysis of laminated composite shells and sandwich composite shells including different types of imperfections.

Molecular dynamics study of vacancy-like defects in a model glass : static behaviour

NASA Astrophysics Data System (ADS)

Delaye, J. M.; Limoge, Y.

1993-10-01

The possibility of defining vacancy-like defects in a Lennard-Jones glass is searched for in a systematic manner. Considering different relaxation levels of the same system, as well as different external pressures, we use a Molecular Dynamics simulation method, to study at constant volume or external pressure, the relaxation of a “piece” of glass, after the sudden removal of an atom. Three typical kinds of behaviour can be observed: the persistence of the empty volume left by the missing atom, its migration by clearly identifiable atomic jumps and the dissipation “on the spot”. A careful analysis of the probabilities of these three kinds of behaviour shows that a meaningful definition of vacancy-like defects can be given in a Lennard-Jones glass. Dans cet article, nous nous penchons de façon systématique sur la possibilité de définir des défauts de type lacunaire dans un verre de Lennard-Jones, à différents niveaux de relaxation et de pression, par une méthode de simulation numérique en dynamique moléculaire à volume ou à pression constants. Le défaut est créé en supprimant un atome et en suivant la réponse du système. Nous observons trois comportements typiques : la persistance sur place du “trou” laissé par l'atome supprimé, sa migration par des sauts atomiques clairement identifiés et enfin sa dissipation sur place. Une analyse détaillée de ces trois comportements montre qu'il est possible dans un verre de Lennard-Jones de définir des défauts de type lacunaire.

Thermally Induced Interdiffusion and Precipitation in a Ni/Ni 3 Al System

DOE PAGES

Sun, C.; Martinez, E.; Aguiar, J. A.; ...

2015-05-20

Ordered Ni 3Al intermetallic precipitates constitute the main hardening sources of Ni-based superalloys. Here, we report the interdiffusion and precipitation behavior in a Ni/Ni3Al model system. The deposition of Ni3Al on a pure Ni layer at 500°C generated L12-structured γ' (Ni3Al) precipitates, preferentially at the interface. After annealing at 800°C for 1 h, interdiffusion between Ni and Ni3Al layers occurred, and the γ' precipitates that grew near the parent Ni/Ni 3Al interface are ~2.8 times larger in size than those formed in the matrix. In conclusion, Monte Carlo simulations indicate that vacancies preferentially diffuse along the Ni/Ni 3Al interface, increasingmore » the probability of precipitation.« less

Highly efficient low-temperature plasma-assisted modification of TiO2 nanosheets with exposed {001} facets for enhanced visible-light photocatalytic activity.

PubMed

Li, Beibei; Zhao, Zongbin; Zhou, Quan; Meng, Bo; Meng, Xiangtong; Qiu, Jieshan

2014-11-03

Anatase TiO2 nanosheets with exposed {001} facets have been controllably modified under non-thermal dielectric barrier discharge (DBD) plasma with various working gas, including Ar, H2 , and NH3 . The obtained TiO2 nanosheets possess a unique crystalline core/amorphous shell structure (TiO2 @TiO2-x ), which exhibit the improved visible and near-infrared light absorption. The types of dopants (oxygen vacancy/surface Ti(3+) /substituted N) in oxygen-deficient TiO2 can be tuned by controlling the working gases during plasma discharge. Both surface Ti(3+) and substituted N were doped into the lattice of TiO2 through NH3 plasma discharge, whereas the oxygen vacancy or Ti(3+) (along with the oxygen vacancy) was obtained after Ar or H2 plasma treatment. The TiO2 @TiO2-x from NH3 plasma with a green color shows the highest photocatalytic activity under visible-light irradiation compared with the products from Ar plasma or H2 plasma due to the synergistic effect of reduction and simultaneous nitridation in the NH3 plasma. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Time-dependent Schrödinger equation for molecular core-hole dynamics

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

Picón, A.

2017-02-01

X-ray spectroscopy is an important tool for the investigation of matter. X rays primarily interact with inner-shell electrons, creating core (inner-shell) holes that will decay on the time scale of attoseconds to a few femtoseconds through electron relaxations involving the emission of a photon or an electron. Furthermore, the advent of femtosecond x-ray pulses expands x-ray spectroscopy to the time domain and will eventually allow the control of core-hole population on time scales comparable to core-vacancy lifetimes. For both cases, a theoretical approach that accounts for the x-ray interaction while the electron relaxations occur is required. We describe a time-dependentmore » framework, based on solving the time-dependent Schrödinger equation, that is suitable for describing the induced electron and nuclear dynamics.« less

Dynamics of oxygen species on reduced TiO2 (110) rutile

NASA Astrophysics Data System (ADS)

Wang, Yun; Pillay, Devina; Hwang, Gyeong S.

2004-11-01

Using density functional theory calculations, we have investigated the adsorption and diffusion of oxygen species on the reduced TiO2(110) surface. We have found that molecular O2 strongly binds not only to O vacancies, but also to Ti(5c) neighbors, due to delocalization of unpaired electrons arising from removal of neutral bridging oxygen. Our results show that molecular O2 can jump across an oxygen vacancy and diffuse along a Ti(5c) row with moderate barriers. On the other hand, atomic O diffusion along a Ti(5c) row is rather unlikely at low temperatures (<300K) , because of the relatively higher probability of O-O formation from interaction with an adjacent bridging O(2c) atom. Based on our calculation results, we discuss the diffusion and healing of O vacancies associated with O2 adsorption.

Vacancy-Induced Ferromagnetism in SnO2 Nanocrystals: A Positron Annihilation Study

NASA Astrophysics Data System (ADS)

Chen, Zhi-Yuan; Chen, Zhi-Quan; Pan, Rui-Kun; Wang, Shao-Jie

2013-02-01

SnO2 nanopowders were pressed into pellets and annealed in air from 100 to 1400°C. Both XRD and Raman spectroscopy confirm that all annealed samples were single phase with a tetragonal rutile structure. Annealing induces an increase in the SnO2 grain size from 30 to 83 nm. Positron annihilation measurements reveal vacancy defects in the grain boundary region, and the interfacial defects remain stable after annealing below 400°C, then they are gradually recovered with increasing annealing temperature up to 1200°C. Room temperature ferromagnetism was observed for SnO2 nanocrystals annealed below 1200°C, and the magnetization decreases continuously with increasing annealing temperature. However, the ferromagnetism disappears at 1200°C annealing. This shows good coincidence with the recovery of interfacial defects in the nanocrystals, suggesting that the ferromagnetism is probably induced by vacancy defects in the interface region.

Prediction of a New Phase of Cu x S near Stoichiometric Composition

DOE PAGES

Khatri, Prashant; Huda, Muhammad N.

2015-01-01

Cumore » 2 S is known to be a promising solar absorber material due to its suitable band gap and the abundance of its constituent elements. 2 S is known to have complex phase structures depending on the concentration of vacancies. Its instability of phases is due to favorable formation of vacancies and the mobility of atoms within the crystal. Understanding its phase structures is of crucial important for its application as solar absorber material. In this paper, we have predicted a new crystal phase of copper sulfide ( x S) around chemical composition of x = 1.98 by utilizing crystal database search and density functional theory. We have shown that this new crystal phase of x S is more favorable than low chalcocite structure even at stoichiometric composition of x = 2 . However, vacancy formation probability was found to be higher in this new phase than the low chalcocite structure.« less

Reprint of: Ionization probabilities of Ne, Ar, Kr, and Xe by proton impact for different initial states and impact energies

NASA Astrophysics Data System (ADS)

Montanari, C. C.; Miraglia, J. E.

2018-01-01

In this contribution we present ab initio results for ionization total cross sections, probabilities at zero impact parameter, and impact parameter moments of order +1 and -1 of Ne, Ar, Kr, and Xe by proton impact in an extended energy range from 100 keV up to 10 MeV. The calculations were performed by using the continuum distorted wave eikonal initial state approximation (CDW-EIS) for energies up to 1 MeV, and using the first Born approximation for larger energies. The convergence of the CDW-EIS to the first Born above 1 MeV is clear in the present results. Our inner-shell ionization cross sections are compared with the available experimental data and with the ECPSSR results. We also include in this contribution the values of the ionization probabilities at the origin, and the impact parameter dependence. These values have been employed in multiple ionization calculations showing very good description of the experimental data. Tables of the ionization probabilities are presented, disaggregated for the different initial bound states, considering all the shells for Ne and Ar, the M-N shells of Kr and the N-O shells of Xe.

Experimental validation of L-shell x-ray fluorescence computed tomography imaging: phantom study

PubMed Central

Bazalova-Carter, Magdalena; Ahmad, Moiz; Xing, Lei; Fahrig, Rebecca

2015-01-01

Abstract. Thanks to the current advances in nanoscience, molecular biochemistry, and x-ray detector technology, x-ray fluorescence computed tomography (XFCT) has been considered for molecular imaging of probes containing high atomic number elements, such as gold nanoparticles. The commonly used XFCT imaging performed with K-shell x rays appears to have insufficient imaging sensitivity to detect the low gold concentrations observed in small animal studies. Low energy fluorescence L-shell x rays have exhibited higher signal-to-background ratio and appeared as a promising XFCT mode with greatly enhanced sensitivity. The aim of this work was to experimentally demonstrate the feasibility of L-shell XFCT imaging and to assess its achievable sensitivity. We built an experimental L-shell XFCT imaging system consisting of a miniature x-ray tube and two spectrometers, a silicon drift detector (SDD), and a CdTe detector placed at ±120  deg with respect to the excitation beam. We imaged a 28-mm-diameter water phantom with 4-mm-diameter Eppendorf tubes containing gold solutions with concentrations of 0.06 to 0.1% Au. While all Au vials were detectable in the SDD L-shell XFCT image, none of the vials were visible in the CdTe L-shell XFCT image. The detectability limit of the presented L-shell XFCT SDD imaging setup was 0.007% Au, a concentration observed in small animal studies. PMID:26839910

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

Reeves, Geoffrey D.; Friedel, Reiner H. W.; Larsen, Brian A.

Here, we present observations of the radiation belts from the Helium Oxygen Proton Electron and Magnetic Electron Ion Spectrometer particle detectors on the Van Allen Probes satellites that illustrate the energy dependence and L shell dependence of radiation belt enhancements and decays. We survey events in 2013 and analyze an event on 1 March in more detail. The observations show the following: (a) at all L shells, lower energy electrons are enhanced more often than higher energies; (b) events that fill the slot region are more common at lower energies; (c) enhancements of electrons in the inner zone are moremore » common at lower energies; and (d) even when events do not fully fill the slot region, enhancements at lower energies tend to extend to lower L shells than higher energies. During enhancement events the outer zone extends to lower L shells at lower energies while being confined to higher L shells at higher energies. The inner zone shows the opposite with an outer boundary at higher L shells for lower energies. Both boundaries are nearly straight in log(energy) versus L shell space. At energies below a few 100 keV, radiation belt electron penetration through the slot region into the inner zone is commonplace, but the number and frequency of “slot filling” events decreases with increasing energy. The inner zone is enhanced only at energies that penetrate through the slot. Energy- and L shell-dependent losses (that are consistent with whistler hiss interactions) return the belts to more quiescent conditions.« less

Superdiffusion of Carbon by Vacancies Irradiated with Soft X-Rays in CZ Silicon / Superdifūzija Ar Vakancēm Iestarota Ar Mīkstajiem Rentgenstariem CZ Silīcijā

NASA Astrophysics Data System (ADS)

Janavičius, A. J.; Mekys, A.; Purlys, R.; Norgėla, Ž.; Daugėla, S.; Rinkūnas, R.

2015-10-01

The soft X-ray photons absorbed in the inner K, L, M shells of Si atoms produce photoelectrons and Auger electrons, thus generating vacancies, interstitials and metastable oxygen complexes. The samples of Czochralski silicon crystals covered with 0.1 μm thickness layer of carbon have been irradiated by X-rays using different voltages of Cu anode of the Russian diffractometer DRON-3M. The influence of X-rays on the formation of point defects and vacancy complexes, and their dynamics in Cz-Si crystals have been studied by infrared absorption. We have measured and calculated dynamics of concentration of carbon and interstitial oxygen using FTIR spectroscopy at room temperature after irradiation by soft X-rays. Using transmittance measurements and nonlinear diffusion theory we have calculated densities increasing for substitutional carbon and interstitial oxygen by reactions and very fast diffusion. The superdiffusion coefficients of carbon in silicon at room temperature generated by X-rays are about hundred thousand times greater than diffusion coefficients obtained for thermodiffusion. Rezumējums: Rentgena staru fotoni, absorbēti Si atoma iekšējos slāņos, izstaro fotoelektronus un Ožē elektronus, ģenerējot vakances, starpmezglu silīcija atomus, vakanču un skābekļa kompleksus. Čohraļska silīcija kristāli, kas pārklāti ar oglekli 0.1 μm biezuma kārtā, tika apstaroti ar rentgena stariem, izmantojot krievu difraktometru DRON-3M. Oglekļa un skābekļa difūzija un koncentrāciju izmaiņa silīcijā tika izmērīta izmantojot infrasarkano staru FTIR spektroskopiju. Rentgena staru ģenerētās ļoti ātrās oglekļa difūzijas vai superdifūzijas koeficients istabas temperatūrā silīcijā ir simtiem tūkstošu reižu lielāks nekā termodifūzijas gadījumā.

Theory of Positron Annihilation in Helium-Filled Bubbles in Plutonium

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

Sterne, P A; Pask, J E

2003-02-13

Positron annihilation lifetime spectroscopy is a sensitive probe of vacancies and voids in materials. This non-destructive measurement technique can identify the presence of specific defects in materials at the part-per-million level. Recent experiments by Asoka-Kumar et al. have identified two lifetime components in aged plutonium samples--a dominant lifetime component of around 182 ps and a longer lifetime component of around 350-400ps. This second component appears to increase with the age of the sample, and accounts for only about 5 percent of the total intensity in 35 year-old plutonium samples. First-principles calculations of positron lifetimes are now used extensively to guidemore » the interpretation of positron lifetime data. At Livermore, we have developed a first-principles finite-element-based method for calculating positron lifetimes for defects in metals. This method is capable of treating system cell sizes of several thousand atoms, allowing us to model defects in plutonium ranging in size from a mono-vacancy to helium-filled bubbles of over 1 nm in diameter. In order to identify the defects that account for the observed lifetime values, we have performed positron lifetime calculations for a set of vacancies, vacancy clusters, and helium-filled vacancy clusters in delta-plutonium. The calculations produced values of 143ps for defect-free delta-Pu and 255ps for a mono-vacancy in Pu, both of which are inconsistent with the dominant experimental lifetime component of 182ps. Larger vacancy clusters have even longer lifetimes. The observed positron lifetime is significantly shorter than the calculated lifetimes for mono-vacancies and larger vacancy clusters, indicating that open vacancy clusters are not the dominant defect in the aged plutonium samples. When helium atoms are introduced into the vacancy cluster, the positron lifetime is reduced due to the increased density of electrons available for annihilation. For a mono-vacancy in Pu containing one helium atom, the calculated lifetime is 190 ps, while a di-vacancy containing two helium atoms has a positron lifetime of 205 ps. In general, increasing the helium density in a vacancy cluster or He-filled bubble reduces the positron lifetime, so that the same lifetime value can arise fi-om a range of vacancy cluster sizes with different helium densities. In order to understand the variation of positron lifetime with vacancy cluster size and helium density in the defect, we have performed over 60 positron lifetime calculations with vacancy cluster sizes ranging from 1 to 55 vacancies and helium densities ranging fi-om zero to five helium atoms per vacancy. The results indicate that the experimental lifetime of 182 ps is consistent with the theoretical value of 190 ps for a mono-vacancy with a single helium atom, but that slightly better agreement is obtained for larger clusters of 6 or more vacancies containing 2-3 helium atoms per vacancy. For larger vacancy clusters with diameters of about 3-5 nm or more, the annihilation with helium electrons dominates the positron annihilation rate; the observed lifetime of 180ps is then consistent with a helium concentration in the range of 3 to 3.5 Hehacancy, setting an upper bound on the helium concentration in the vacancy clusters. In practice, the single lifetime component is most probably associated with a family of helium-filled bubbles rather than with a specific unique defect size. The longer 350-400ps lifetime component is consistent with a relatively narrow range of defect sizes and He concentration. At zero He concentration, the lifetime values are matched by small vacancy clusters containing 6-12 vacancies. With increasing vacancy cluster size, a small amount of He is required to keep the lifetime in the 350-400 ps range, until the value saturates for larger helium bubbles of more than 50 vacancies (bubble diameter > 1.3 nm) at a helium concentration close to 1 He/vacancy. These results, taken together with the experimental data, indicate that the features observed in TEM data by Schwartz et al are not voids, but are in fact helium-filled bubbles with a helium pressure of around 2-3 helium atoms per vacancy, depending on the bubble size. This is consistent with the conclusions of recently developed models of He-bubble growth in aged plutonium.« less

Probabilistic Dynamic Buckling of Smart Composite Shells

NASA Technical Reports Server (NTRS)

Abumeri, Galib H.; Chamis, Christos C.

2003-01-01

A computational simulation method is presented to evaluate the deterministic and nondeterministic dynamic buckling of smart composite shells. The combined use of composite mechanics, finite element computer codes, and probabilistic analysis enable the effective assessment of the dynamic buckling load of smart composite shells. A universal plot is generated to estimate the dynamic buckling load of composite shells at various load rates and probabilities. The shell structure is also evaluated with smart fibers embedded in the plies right below the outer plies. The results show that, on the average, the use of smart fibers improved the shell buckling resistance by about 10 percent at different probabilities and delayed the buckling occurrence time. The probabilistic sensitivities results indicate that uncertainties in the fiber volume ratio and ply thickness have major effects on the buckling load while uncertainties in the electric field strength and smart material volume fraction have moderate effects. For the specific shell considered in this evaluation, the use of smart composite material is not recommended because the shell buckling resistance can be improved by simply re-arranging the orientation of the outer plies, as shown in the dynamic buckling analysis results presented in this report.

Probabilistic Dynamic Buckling of Smart Composite Shells

NASA Technical Reports Server (NTRS)

Chamis, Christos C.; Abumeri, Galib H.

2007-01-01

A computational simulation method is presented to evaluate the deterministic and nondeterministic dynamic buckling of smart composite shells. The combined use of intraply hybrid composite mechanics, finite element computer codes, and probabilistic analysis enable the effective assessment of the dynamic buckling load of smart composite shells. A universal plot is generated to estimate the dynamic buckling load of composite shells at various load rates and probabilities. The shell structure is also evaluated with smart fibers embedded in the plies right next to the outer plies. The results show that, on the average, the use of smart fibers improved the shell buckling resistance by about 10% at different probabilities and delayed the buckling occurrence time. The probabilistic sensitivities results indicate that uncertainties in the fiber volume ratio and ply thickness have major effects on the buckling load while uncertainties in the electric field strength and smart material volume fraction have moderate effects. For the specific shell considered in this evaluation, the use of smart composite material is not recommended because the shell buckling resistance can be improved by simply re-arranging the orientation of the outer plies, as shown in the dynamic buckling analysis results presented in this report.

75 FR 37423 - Combined Notice of Filings #1

Federal Register 2010, 2011, 2012, 2013, 2014

2010-06-29

...-1484-000. Applicants: Shell Energy North America (US), L.P. Description: Shell Energy North America (US), L.P. submits tariff filing per 35.12: Shell Energy North America (US), L.P. Market-Based Rate Tariff... DEPARTMENT OF ENERGY Federal Energy Regulatory Commission Combined Notice of Filings 1 June 21...

Trends in Adsorption Energies of the Oxygenated Species on Single Platinum Atom Embedded in Carbon Nanotubes

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

Siahrostami, Samira; Li, Guo-Ling; Nørskov, Jens K.

Herein we study the effect of strain on the catalytic activity of different Pt-doped single wall metallic carbon nanotubes (SWCNT) towards the oxygen reduction reaction (ORR). We consider the possibility of the Pt-doped at single vacancy inside the SWCNT to investigate the effect of confinement on the reaction mechanism. Density functional theory calculations indicate that for the SWCNTs with tube diameters below 7 Å, the strain energy varies significantly influencing the adsorption energies of the key intermediates of the ORR reaction. For the SWCNTs with tube diameters above 7 Å, on the other hand, both the calculated strain and themore » adsorption energies are almost constant. We furthermore find that the adsorption energies are strongly affected by confinement effects as shown for Pt-doped systems that are located inside the SWCNT. We show that the Pt-doped at single vacancy of the SWCNT strongly binds the oxygenated species under ORR potentials and therefore the active species is covered by oxo- or hydroxo group. Because the presence of Pt atoms doped at the single and double vacancies of the SWCNT is equivalently probable we also studied the Pt-doped at double vacancy. We find that the most active motif is the Pt-doped at double vacancy of SWCNT with 0.24V overpotenital.« less

Trends in Adsorption Energies of the Oxygenated Species on Single Platinum Atom Embedded in Carbon Nanotubes

DOE PAGES

Siahrostami, Samira; Li, Guo-Ling; Nørskov, Jens K.; ...

2017-09-30

Herein we study the effect of strain on the catalytic activity of different Pt-doped single wall metallic carbon nanotubes (SWCNT) towards the oxygen reduction reaction (ORR). We consider the possibility of the Pt-doped at single vacancy inside the SWCNT to investigate the effect of confinement on the reaction mechanism. Density functional theory calculations indicate that for the SWCNTs with tube diameters below 7 Å, the strain energy varies significantly influencing the adsorption energies of the key intermediates of the ORR reaction. For the SWCNTs with tube diameters above 7 Å, on the other hand, both the calculated strain and themore » adsorption energies are almost constant. We furthermore find that the adsorption energies are strongly affected by confinement effects as shown for Pt-doped systems that are located inside the SWCNT. We show that the Pt-doped at single vacancy of the SWCNT strongly binds the oxygenated species under ORR potentials and therefore the active species is covered by oxo- or hydroxo group. Because the presence of Pt atoms doped at the single and double vacancies of the SWCNT is equivalently probable we also studied the Pt-doped at double vacancy. We find that the most active motif is the Pt-doped at double vacancy of SWCNT with 0.24V overpotenital.« less

Carbon isotopes in mollusk shell carbonates

NASA Astrophysics Data System (ADS)

McConnaughey, Ted A.; Gillikin, David Paul

2008-10-01

Mollusk shells contain many isotopic clues about calcification physiology and environmental conditions at the time of shell formation. In this review, we use both published and unpublished data to discuss carbon isotopes in both bivalve and gastropod shell carbonates. Land snails construct their shells mainly from respired CO2, and shell δ13C reflects the local mix of C3 and C4 plants consumed. Shell δ13C is typically >10‰ heavier than diet, probably because respiratory gas exchange discards CO2, and retains the isotopically heavier HCO3 -. Respired CO2 contributes less to the shells of aquatic mollusks, because CO2/O2 ratios are usually higher in water than in air, leading to more replacement of respired CO2 by environmental CO2. Fluid exchange with the environment also brings additional dissolved inorganic carbon (DIC) into the calcification site. Shell δ13C is typically a few ‰ lower than ambient DIC, and often decreases with age. Shell δ13C retains clues about processes such as ecosystem metabolism and estuarine mixing. Ca2+ ATPase-based models of calcification physiology developed for corals and algae likely apply to mollusks, too, but lower pH and carbonic anhydrase at the calcification site probably suppress kinetic isotope effects. Carbon isotopes in biogenic carbonates are clearly complex, but cautious interpretation can provide a wealth of information, especially after vital effects are better understood.

Energy-dependent dynamics of keV to MeV electrons in the inner zone, outer zone, and slot regions.

PubMed

Reeves, Geoffrey D; Friedel, Reiner H W; Larsen, Brian A; Skoug, Ruth M; Funsten, Herbert O; Claudepierre, Seth G; Fennell, Joseph F; Turner, Drew L; Denton, Mick H; Spence, Harlan E; Blake, J Bernard; Baker, Daniel N

2016-01-01

We present observations of the radiation belts from the Helium Oxygen Proton Electron and Magnetic Electron Ion Spectrometer particle detectors on the Van Allen Probes satellites that illustrate the energy dependence and L shell dependence of radiation belt enhancements and decays. We survey events in 2013 and analyze an event on 1 March in more detail. The observations show the following: (a) at all L shells, lower energy electrons are enhanced more often than higher energies; (b) events that fill the slot region are more common at lower energies; (c) enhancements of electrons in the inner zone are more common at lower energies; and (d) even when events do not fully fill the slot region, enhancements at lower energies tend to extend to lower L shells than higher energies. During enhancement events the outer zone extends to lower L shells at lower energies while being confined to higher L shells at higher energies. The inner zone shows the opposite with an outer boundary at higher L shells for lower energies. Both boundaries are nearly straight in log(energy) versus L shell space. At energies below a few 100 keV, radiation belt electron penetration through the slot region into the inner zone is commonplace, but the number and frequency of "slot filling" events decreases with increasing energy. The inner zone is enhanced only at energies that penetrate through the slot. Energy- and L shell-dependent losses (that are consistent with whistler hiss interactions) return the belts to more quiescent conditions.

Energy-dependent dynamics of keV to MeV electrons in the inner zone, outer zone, and slot regions

DOE PAGES

Reeves, Geoffrey D.; Friedel, Reiner H. W.; Larsen, Brian A.; ...

2016-01-28

Here, we present observations of the radiation belts from the Helium Oxygen Proton Electron and Magnetic Electron Ion Spectrometer particle detectors on the Van Allen Probes satellites that illustrate the energy dependence and L shell dependence of radiation belt enhancements and decays. We survey events in 2013 and analyze an event on 1 March in more detail. The observations show the following: (a) at all L shells, lower energy electrons are enhanced more often than higher energies; (b) events that fill the slot region are more common at lower energies; (c) enhancements of electrons in the inner zone are moremore » common at lower energies; and (d) even when events do not fully fill the slot region, enhancements at lower energies tend to extend to lower L shells than higher energies. During enhancement events the outer zone extends to lower L shells at lower energies while being confined to higher L shells at higher energies. The inner zone shows the opposite with an outer boundary at higher L shells for lower energies. Both boundaries are nearly straight in log(energy) versus L shell space. At energies below a few 100 keV, radiation belt electron penetration through the slot region into the inner zone is commonplace, but the number and frequency of “slot filling” events decreases with increasing energy. The inner zone is enhanced only at energies that penetrate through the slot. Energy- and L shell-dependent losses (that are consistent with whistler hiss interactions) return the belts to more quiescent conditions.« less

Measurements of near-ultimate strength for multiwalled carbon nanotubes and irradiation-induced crosslinking improvements.

PubMed

Peng, Bei; Locascio, Mark; Zapol, Peter; Li, Shuyou; Mielke, Steven L; Schatz, George C; Espinosa, Horacio D

2008-10-01

The excellent mechanical properties of carbon nanotubes are being exploited in a growing number of applications from ballistic armour to nanoelectronics. However, measurements of these properties have not achieved the values predicted by theory due to a combination of artifacts introduced during sample preparation and inadequate measurements. Here we report multiwalled carbon nanotubes with a mean fracture strength >100 GPa, which exceeds earlier observations by a factor of approximately three. These results are in excellent agreement with quantum-mechanical estimates for nanotubes containing only an occasional vacancy defect, and are approximately 80% of the values expected for defect-free tubes. This performance is made possible by omitting chemical treatments from the sample preparation process, thus avoiding the formation of defects. High-resolution imaging was used to directly determine the number of fractured shells and the chirality of the outer shell. Electron irradiation at 200 keV for 10, 100 and 1,800 s led to improvements in the maximum sustainable loads by factors of 2.4, 7.9 and 11.6 compared with non-irradiated samples of similar diameter. This effect is attributed to crosslinking between the shells. Computer simulations also illustrate the effects of various irradiation-induced crosslinking defects on load sharing between the shells.

Measurements of near-ultimate strength for multiwalled carbon nanotubes and irradiation-induced crosslinking improvements.

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

Peng, B.; Locascio, M.; Zapol, P.

2008-01-01

The excellent mechanical properties of carbon nanotubes are being exploited in a growing number of applications from ballistic armour to nanoelectronics. However, measurements of these properties have not achieved the values predicted by theory due to a combination of artifacts introduced during sample preparation and inadequate measurements. Here we report multiwalled carbon nanotubes with a mean fracture strength >100 GPa, which exceeds earlier observations by a factor of approximately three. These results are in excellent agreement with quantum-mechanical estimates for nanotubes containing only an occasional vacancy defect, and are {approx}80% of the values expected for defect-free tubes. This performance ismore » made possible by omitting chemical treatments from the sample preparation process, thus avoiding the formation of defects. High-resolution imaging was used to directly determine the number of fractured shells and the chirality of the outer shell. Electron irradiation at 200 keV for 10, 100 and 1,800 s led to improvements in the maximum sustainable loads by factors of 2.4, 7.9 and 11.6 compared with non-irradiated samples of similar diameter. This effect is attributed to crosslinking between the shells. Computer simulations also illustrate the effects of various irradiation-induced crosslinking defects on load sharing between the shells.« less

77 FR 45596 - Shell Energy North America (US), L.P. v. California Independent System Operator Corporation...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-08-01

... DEPARTMENT OF ENERGY Federal Energy Regulatory Commission [Docket No. EL12-88 -000] Shell Energy North America (US), L.P. v. California Independent System Operator Corporation; Notice of Complaint Take... (Commission) Rules of Practice and Procedure, 18 CFR 385.206, Shell Energy North America (US), L.P...

Action-derived molecular dynamics simulations for the migration and coalescence of vacancies in graphene and carbon nanotubes.

PubMed

Lee, Alex Taekyung; Ryu, Byungki; Lee, In-Ho; Chang, K J

2014-03-19

We report the results of action-derived molecular dynamics simulations for the migration and coalescence processes of monovacancies in graphene and carbon nanotubes with different chiralities. In carbon nanotubes, the migration pathways and barriers of a monovacancy depend on the tube chirality, while there is no preferential pathway in graphene due to the lattice symmetry and the absence of the curvature effect. The probable pathway changes from the axial to circumferential direction as the chirality varies from armchair to zigzag. The chirality dependence is attributed to the preferential orientation of the reconstructed bond formed around each vacancy site. It is energetically more favourable for two monovacancies to coalesce into a divacancy via alternative movements rather than simultaneous movements. The energy barriers for coalescence are generally determined by the migration barrier for the monovacancy, although there are some variations due to interactions between two diffusing vacancies. In graphene and armchair nanotubes, two monovacancies prefer to migrate along different zigzag atomic chains rather than a single atomic chain connecting these vacancies. On the other hand, in zigzag tubes, the energy barrier for coalescence increases significantly unless monovacancies lie on the same circumference.

General hyperconcentration of photonic polarization-time-bin hyperentanglement assisted by nitrogen-vacancy centers coupled to resonators

NASA Astrophysics Data System (ADS)

Du, Fang-Fang; Deng, Fu-Guo; Long, Gui-Lu

2016-11-01

Entanglement concentration protocol (ECP) is used to extract the maximally entangled states from less entangled pure states. Here we present a general hyperconcentration protocol for two-photon systems in partially hyperentangled Bell states that decay with the interrelation between the time-bin and the polarization degrees of freedom (DOFs), resorting to an input-output process with respect to diamond nitrogen-vacancy centers coupled to resonators. We show that the resource can be utilized sufficiently and the success probability is largely improved by iteration of the hyper-ECP process. Besides, our hyper-ECP can be directly extended to concentrate nonlocal partially hyperentangled N-photon Greenberger-Horne-Zeilinger states, and the success probability remains unchanged with the growth of the number of photons. Moreover, the time-bin entanglement is a useful DOF and it only requires one path for transmission, which means it not only economizes on a large amount of quantum resources but also relaxes from the path-length dispersion in long-distance quantum communication.

General hyperconcentration of photonic polarization-time-bin hyperentanglement assisted by nitrogen-vacancy centers coupled to resonators

PubMed Central

Du, Fang-Fang; Deng, Fu-Guo; Long, Gui-Lu

2016-01-01

Entanglement concentration protocol (ECP) is used to extract the maximally entangled states from less entangled pure states. Here we present a general hyperconcentration protocol for two-photon systems in partially hyperentangled Bell states that decay with the interrelation between the time-bin and the polarization degrees of freedom (DOFs), resorting to an input-output process with respect to diamond nitrogen-vacancy centers coupled to resonators. We show that the resource can be utilized sufficiently and the success probability is largely improved by iteration of the hyper-ECP process. Besides, our hyper-ECP can be directly extended to concentrate nonlocal partially hyperentangled N-photon Greenberger-Horne-Zeilinger states, and the success probability remains unchanged with the growth of the number of photons. Moreover, the time-bin entanglement is a useful DOF and it only requires one path for transmission, which means it not only economizes on a large amount of quantum resources but also relaxes from the path-length dispersion in long-distance quantum communication. PMID:27804973

Structural and photoluminescence studies on catalytic growth of silicon/zinc oxide heterostructure nanowires

PubMed Central

2013-01-01

Silicon/zinc oxide (Si/ZnO) core-shell nanowires (NWs) were prepared on a p-type Si(111) substrate using a two-step growth process. First, indium seed-coated Si NWs (In/Si NWs) were synthesized using a plasma-assisted hot-wire chemical vapor deposition technique. This was then followed by the growth of a ZnO nanostructure shell layer using a vapor transport and condensation method. By varying the ZnO growth time from 0.5 to 2 h, different morphologies of ZnO nanostructures, such as ZnO nanoparticles, ZnO shell layer, and ZnO nanorods were grown on the In/Si NWs. The In seeds were believed to act as centers to attract the ZnO molecule vapors, further inducing the lateral growth of ZnO nanorods from the Si/ZnO core-shell NWs via a vapor-liquid-solid mechanism. The ZnO nanorods had a tendency to grow in the direction of [0001] as indicated by X-ray diffraction and high resolution transmission electron microscopy analyses. We showed that the Si/ZnO core-shell NWs exhibit a broad visible emission ranging from 400 to 750 nm due to the combination of emissions from oxygen vacancies in ZnO and In2O3 structures and nanocrystallite Si on the Si NWs. The hierarchical growth of straight ZnO nanorods on the core-shell NWs eventually reduced the defect (green) emission and enhanced the near band edge (ultraviolet) emission of the ZnO. PMID:23590803

EMIC waves covering wide L shells: MMS and Van Allen Probes observations

NASA Astrophysics Data System (ADS)

Yu, Xiongdong; Yuan, Zhigang; Huang, Shiyong; Wang, Dedong; Li, Haimeng; Qiao, Zheng; Yao, Fei

2017-07-01

During 04:45:00-08:15:00 UT on 13 September in 2015, a case of Electromagnetic ion cyclotron (EMIC) waves covering wide L shells (L = 3.6-9.4), observed by the Magnotospheric Multiscale 1 (MMS1) are reported. During the same time interval, EMIC waves observed by Van Allen Probes A (VAP-A) only occurred just outside the plasmapause. As the Van Allen Probes moved outside into a more tenuous plasma region, no intense waves were observed. Combined observations of MMS1 and VAP-A suggest that in the terrestrial magnetosphere, an appropriately dense background plasma would make contributions to the growth of EMIC waves in lower L shells, while the ion anisotropy, driven by magnetospheric compression, might play an important role in the excitation of EMIC waves in higher L shells. These EMIC waves are observed over wide L shells after three continuous magnetic storms, which suggests that these waves might obtain their free energy from those energetic ions injected during storm times. These EMIC waves should be included in radiation belt modeling, especially during continuous magnetic storms. Moreover, two-band structures separated in frequencies by local He2+ gyrofrequencies were observed in large L shells (L > 6), implying sufficiently rich solar wind origin He2+ likely in the outer ring current. It is suggested that multiband-structured EMIC waves can be used to trace the coupling between solar wind and the magnetosphere.tract type="synopsis">le type="main">Plain Language SummaryThe spatial distribution of EMIC waves is an opening question. With combined observations of MMS and Van Allen Probes, this paper has reported EMIC waves covering wide L shells. Moreover, two-band structures separated in frequencies by local He2+ gyrofrequencies were observed in large L shells (L > 6), implying sufficiently rich solar wind origin He2+ likely in the outer ring current. The result is helpful to revealing the spatial distribution and role of He2+ in excitation of EMIC waves.

Ultrafast isomerization initiated by X-ray core ionization

NASA Astrophysics Data System (ADS)

Liekhus-Schmaltz, Chelsea E.; Tenney, Ian; Osipov, Timur; Sanchez-Gonzalez, Alvaro; Berrah, Nora; Boll, Rebecca; Bomme, Cedric; Bostedt, Christoph; Bozek, John D.; Carron, Sebastian; Coffee, Ryan; Devin, Julien; Erk, Benjamin; Ferguson, Ken R.; Field, Robert W.; Foucar, Lutz; Frasinski, Leszek J.; Glownia, James M.; Gühr, Markus; Kamalov, Andrei; Krzywinski, Jacek; Li, Heng; Marangos, Jonathan P.; Martinez, Todd J.; McFarland, Brian K.; Miyabe, Shungo; Murphy, Brendan; Natan, Adi; Rolles, Daniel; Rudenko, Artem; Siano, Marco; Simpson, Emma R.; Spector, Limor; Swiggers, Michele; Walke, Daniel; Wang, Song; Weber, Thorsten; Bucksbaum, Philip H.; Petrovic, Vladimir S.

2015-09-01

Rapid proton migration is a key process in hydrocarbon photochemistry. Charge migration and subsequent proton motion can mitigate radiation damage when heavier atoms absorb X-rays. If rapid enough, this can improve the fidelity of diffract-before-destroy measurements of biomolecular structure at X-ray-free electron lasers. Here we study X-ray-initiated isomerization of acetylene, a model for proton dynamics in hydrocarbons. Our time-resolved measurements capture the transient motion of protons following X-ray ionization of carbon K-shell electrons. We Coulomb-explode the molecule with a second precisely delayed X-ray pulse and then record all the fragment momenta. These snapshots at different delays are combined into a `molecular movie' of the evolving molecule, which shows substantial proton redistribution within the first 12 fs. We conclude that significant proton motion occurs on a timescale comparable to the Auger relaxation that refills the K-shell vacancy.

Shell-armored wood cobbles as a potential criterion for detrital coal deposits

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

DiMarco, M.J.; Nummedal, D.

1986-01-01

Shell-armored wood cobbles occur on detrital-peat beaches along the seaward edge of the Mississippi Delta. Shell material consists exclusively of Mulinia lateralis, a dwarf surf clam. Soft, heavy, waterlogged wood fragments are abraded and become armored by hard shells in response to wave activity on the beach. Although their preservation potential is suspect, fossilized shell-armored wood clasts would probably be recognized as a type of coal ball and might indicate an allochthonous origin for the host coal.

Hydrochemical effects on the life cycle, shell size, thickness, and chemistry of ostracode Cyprideis torosa

NASA Astrophysics Data System (ADS)

Marco-Barba, J.; Ito, E.; Mezquita, F.; Carbonell, E.

2006-12-01

Cyprideis torosa is a species of ostracode that inhabits and reproduces in wide range of ionic concentrations as long as (carbonate alkalinity)/Ca ratio is low. It is found in inland springs, lakes, estuaries, wetlands and seawater evaporation ponds as long as its Alk/Ca requirement is met. We collected C. torosa from 20 sites near Valencia, Spain in early spring 2004. Main environmental variables were analyzed in situ or in the lab, including temperature and concentration of major ions and oxygen isotopes. Several (2-20) live individuals were sorted out, their growth instar, sex and size measured and their shell chemistry (Mg/Ca, Sr/Ca and oxygen isotopes) analyzed. Three of these 20 sites were sampled monthly for an entire year, and its population structure, juvenile and adult shell chemistry (between 20 and 40 shells) analyzed. The chemistry of the single-visit sites varied widely with TDS from 9 to 2200 meq/L. Generally, Cl was the most dominant anion, with an averaged value of 76% (16% - 94%). CO3 plus HCO3 varied between 0.4 and 64% and SO4 between 4 and 26%. Principal Components Analysis showed that all waters follow a similar solute evolution trend of increasing Cl and SO4 and decreasing carbonate alkalinity with increasing TDS. Water δ18O also increase with TDS suggesting evaporation is the dominant driver of solute evolution. Among the sites sampled monthly, U1 is a HCO3>Ca>Mg>SO4 spring with the TDS of 9 meq/L. Sites P5 and P7 are part of a coastal wetland system of Cl>Na>Mg~SO4>Ca>HCO3 composition with TDS of 1700meq/L and 270meq/L, respectively. Water temperature varies from 12 to 30°C in P5, 13 to 33°C in P7 and 16 to 30°C in U1. At all 3 sites, the highest temperature occurred in July. The longest animals have the highest shell Ca content, and size is related to water chemistry. Both males and females are smaller in high TDS waters, and in particular, in high SO4 waters. The shell-water oxygen isotope fractionation decreases drastically at higher TDS. Cation composition of the shells show a trend of decreasing values of Mg/Cashell/Mg/Cawater with TDS as might be expected since ostracodes form low-Mg calcite shells. This trend is also observed between Sr/Cashell/Sr/ Cawater and TDS albeit with a large scatter. The changes in the population structure suggest that in U1, moulting from A-1 to A occur throughout the year whereas in P5 and P7, this moulting process is restricted to spring and fall months. This is corroborated by oxygen isotope values and Mg/Ca and Sr/Ca of adult and juvenile shells from all 3 sites: observed changes in U1 shells parallel the changes in U1 water; for P5 and P7, no such parallel is observed probably because A-1 juveniles live longer and do not moult until favorable conditions occur, and all the adults collected over the course of the year had calcified during a narrower time window. This is in agreement with the trend observed in the whole dataset.

Towards a Probabilistic Preliminary Design Criterion for Buckling Critical Composite Shells

NASA Technical Reports Server (NTRS)

Arbocz, Johann; Hilburger, Mark W.

2003-01-01

A probability-based analysis method for predicting buckling loads of compression-loaded laminated-composite shells is presented, and its potential as a basis for a new shell-stability design criterion is demonstrated and discussed. In particular, a database containing information about specimen geometry, material properties, and measured initial geometric imperfections for a selected group of laminated-composite cylindrical shells is used to calculate new buckling-load "knockdown factors". These knockdown factors are shown to be substantially improved, and hence much less conservative than the corresponding deterministic knockdown factors that are presently used by industry. The probability integral associated with the analysis is evaluated by using two methods; that is, by using the exact Monte Carlo method and by using an approximate First-Order Second- Moment method. A comparison of the results from these two methods indicates that the First-Order Second-Moment method yields results that are conservative for the shells considered. Furthermore, the results show that the improved, reliability-based knockdown factor presented always yields a safe estimate of the buckling load for the shells examined.

Exact ab initio transport coefficients in bcc Fe-X (X=Cr, Cu, Mn, Ni, P, Si) dilute alloys

NASA Astrophysics Data System (ADS)

Messina, Luca; Nastar, Maylise; Garnier, Thomas; Domain, Christophe; Olsson, Pär

2014-09-01

Defect-driven diffusion of impurities is the major phenomenon leading to formation of embrittling nanoscopic precipitates in irradiated reactor pressure vessel (RPV) steels. Diffusion depends strongly on the kinetic correlations that may lead to flux coupling between solute atoms and point defects. In this work, flux coupling phenomena such as solute drag by vacancies and radiation-induced segregation at defect sinks are systematically investigated for six bcc iron-based dilute binary alloys, containing Cr, Cu, Mn, Ni, P, and Si impurities, respectively. First, solute-vacancy interactions and migration energies are obtained by means of ab initio calculations; subsequently, self-consistent mean field theory is employed in order to determine the exact Onsager matrix of the alloys. This innovative multiscale approach provides a more complete treatment of the solute-defect interaction than previous multifrequency models. Solute drag is found to be a widespread phenomenon that occurs systematically in ferritic alloys and is enhanced at low temperatures (as for instance RPV operational temperature), as long as an attractive solute-vacancy interaction is present, and that the kinetic modeling of bcc alloys requires the extension of the interaction shell to the second-nearest neighbors. Drag occurs in all alloys except Fe(Cr); the transition from dragging to nondragging regime takes place for the other alloys around (Cu, Mn, Ni) or above (P, Si) the Curie temperature. As far as only the vacancy-mediated solute migration is concerned, Cr depletion at sinks is foreseen by the model, as opposed to the other impurities which are expected to enrich up to no less than 1000 K. The results of this study confirm the current interpretation of the hardening processes in ferritic-martensitic steels under irradiation.

Oxygen vacancies enabled enhancement of catalytic property of Al reduced anatase TiO2 in the decomposition of high concentration ozone

NASA Astrophysics Data System (ADS)

Ding, Yanhua; Zhang, Xiaolei; Chen, Li; Wang, Xiaorui; Zhang, Na; Liu, Yufeng; Fang, Yongzheng

2017-06-01

The catalytic decomposition of gaseous ozone (O3) is investigated using anatase TiO2 (A-TiO2) and Aluminum-reduced A-TiO2 (ARA-TiO2) at high concentration and high relative humidity (RH) without light illumination. Compared with the pristine A-TiO2, the ARA-TiO2 sample possesses a unique crystalline core-amorphous shell structure. It is proved to be an excellent solar energy ;capture; for solar thermal collectors due to lots of oxygen vacancies. The results indicate that the overall decomposition efficiency of O3 without any light irradiation has been greatly improved from 4.8% on A-TiO2 to 100% on ARA-TiO2 under the RH=100% condition. The ozone conversion over T500/ARA-TiO2 catalyst is still maintained at 95% after a 72 h test under the reaction condition of 18.5 g/m3 ozone initial concentration, and RH=90%. The results can be explained that T500/ARA-TiO2 possesses the largest amorphous contour, the lowest crystallinity, the most surface-active Ti3+/Ti4+couples, and the most oxygen vacancies. This result opens a new door to widen the application of TiO2 in the thermal-catalytic field.

Self-template synthesis of yolk-shelled NiCo2O4 spheres for enhanced hybrid supercapacitors

NASA Astrophysics Data System (ADS)

Wang, Liang; Jiao, Xinyan; Liu, Peng; Ouyang, Yu; Xia, Xifeng; Lei, Wu; Hao, Qingli

2018-01-01

A self-template method is developed for hierarchically yolk-shelled NiCo2O4 spheres (YS-NiCo2O4) through a controlled hydrolysis process and followed by a thermal annealing treatment. The yolk-shelled NiCo2O4 spheres possess out-shell consisting of hundreds of ultrathin sheets with 3-5 nm in thickness and solid yolk composing of a large number of nanoparticles. The YS-NiCo2O4 generates a large specific surface area of 169.6 m2 g-1. Benefit from the large specific surface area and rich oxygen vacancy, the as-fabricated YS-NiCo2O4 as electrode materials for supercapacitor exhibits high specific capacitance of 835.7 F g-1 at 0.5 A g-1, an enhanced rate capability and excellent electrochemical stability with 93% retention after 10,000 cycles even at 10 A g-1. Moreover, a hybrid supercapacitor combined with YS-NiCo2O4 and graphene shows a high energy density of 34.7 Wh kg-1 at the power density of 395.0 W kg-1 at 0.5 A g-1, even at 20 A g-1, the hybrid supercapacitor still delivers the energy density of about 12.1 Wh kg-1 and the power density of 11697 W kg-1. The desirable performance of yolk-shelled NiCo2O4 suggests it to be a promising material as supercapacitor electrodes.

Temporal and local variations in biochemical composition of Crassostrea gigas shells

NASA Astrophysics Data System (ADS)

Almeida, Maria J.; Machado, Jorge; Moura, Gabriela; Azevedo, Manuela; Coimbra, João

1998-12-01

The objective of this work was to find relations between organic and inorganic shell components. Crassostrea gigas shells were analysed from live specimens collected at five different stations: the Lima estuary (1), the Ria de Aveiro (2, 3), and the Mondego estuary (4, 5), Portugal. About 30% of the oysters, from stations 1, 2 and 3 had shell-thickness-index values ≤10, indicating a severe thickening. Oysters from the Mondego estuary contained mud blisters due to Polydora infestations. Oysters from station 3 had thicker shells and showed a higher Pb content in shell and tissues than oysters from the other stations. Amino-acid composition changed mainly according to the modified protein (jelly-like substance) probably produced by the presence of TBT (tributyltin) in the water; in particular, we observed an increase in glutamic acid and threonine and a decrease in major amino acids such as aspartic acid, serine and glycine. Elemental shell composition was mainly associated with environmental conditions: shells from stations in open areas had higher Li, Cd, Cr and Ca and lower Mn levels than those from semi-enclosed areas (fish farms). Discriminant analyses against the three kinds of shell observed (normal, thick and infested), using chemical elements and amino acids as discriminant variables, showed the infested group to have the biggest differences. There was no correlation between amino-acid and chemical-element patterns in shell composition. Observed changes in amino-acid pattern, probably due to TBT, did not imply a simultaneous change of elemental composition.

Defect dynamics in Li substituted nanocrystalline ZnO: A spectroscopic analysis

NASA Astrophysics Data System (ADS)

Ghosh, S.; Nambissan, P. M. G.; Thapa, S.; Mandal, K.

2014-12-01

Very recently, vacancy-type defects have been found to play a major role in stabilizing d0 ferromagnetism in various low dimensional ZnO systems. In this context, the evolution of vacancy-type defects within the ZnO nanocrystals due to the doping of ZnO by alkali metal lithium (Li) is investigated using X-ray photoelectron (XPS), photoluminescence (PL) and positron annihilation spectroscopy (PAS). Li-doping is found to have significant effects in modifying the vacancy-type defects, especially the Zn vacancy (VZn) defects within the ZnO lattice. XPS measurement indicated that initially the Li1+ ions substitute at Zn2+ sites, but when Li concentration exceeds 7 at%, excess Li starts to move through the interstitial sites. The increase in positron lifetime components and the lineshape S-parameter obtained from coincident Doppler broadening spectra with Li-doping indicated an enhancement of VZn defect concentration within the doped ZnO lattice. The vacancy type defects, initially of the predominant configuration VZn+O+Zn got reduced to neutral ZnO divacancies due to the partial recombination by the doped Li1+ ions but, when the doping concentration exceeded 7 at% and Li1+ ions started migrating to the interstitials, positron diffusion is partly impeded and this results in reduced probability of annihilation. PL spectra have shown intense green and yellow-orange emission due to the stabilization of a large number of VZn defects and Li substitutional (LiZn) defects respectively. Hence Li can be a very useful dopant in stabilizing and modifying significant amount of Zn vacancy-defects which can play a useful role in determining the material behavior.

Energy‐dependent dynamics of keV to MeV electrons in the inner zone, outer zone, and slot regions

PubMed Central

Friedel, Reiner H. W.; Larsen, Brian A.; Skoug, Ruth M.; Funsten, Herbert O.; Claudepierre, Seth G.; Fennell, Joseph F.; Turner, Drew L.; Denton, Mick H.; Spence, Harlan E.; Blake, J. Bernard; Baker, Daniel N.

2016-01-01

Abstract We present observations of the radiation belts from the Helium Oxygen Proton Electron and Magnetic Electron Ion Spectrometer particle detectors on the Van Allen Probes satellites that illustrate the energy dependence and L shell dependence of radiation belt enhancements and decays. We survey events in 2013 and analyze an event on 1 March in more detail. The observations show the following: (a) at all L shells, lower energy electrons are enhanced more often than higher energies; (b) events that fill the slot region are more common at lower energies; (c) enhancements of electrons in the inner zone are more common at lower energies; and (d) even when events do not fully fill the slot region, enhancements at lower energies tend to extend to lower L shells than higher energies. During enhancement events the outer zone extends to lower L shells at lower energies while being confined to higher L shells at higher energies. The inner zone shows the opposite with an outer boundary at higher L shells for lower energies. Both boundaries are nearly straight in log(energy) versus L shell space. At energies below a few 100 keV, radiation belt electron penetration through the slot region into the inner zone is commonplace, but the number and frequency of “slot filling” events decreases with increasing energy. The inner zone is enhanced only at energies that penetrate through the slot. Energy‐ and L shell‐dependent losses (that are consistent with whistler hiss interactions) return the belts to more quiescent conditions. PMID:27818855

Emission lines in the long period Cepheid l Carinae

NASA Technical Reports Server (NTRS)

Boehm-Vitense, Erika; Love, Stanley G.

1991-01-01

For the Cepheid (l) Carinae with a pulsation period of 35.5 days we have studied the emission line fluxes as a function of pulsational phase in order to find out whether we see chromosphere and transition layer emission or whether we see emission due to an outward moving shock. All emission lines show a steep increase in flux shortly before maximum light suggestive of a shock moving through the surface layers. The large ratio of the C IV to C II line fluxes shows that these are not transition layer lines. During maximum light the large ratio of the C IV to C II line fluxes also suggests that we see emission from a shock with velocities greater than 100 km/sec such that C IV emission can be excited. With such velocities mass outflow appears possible. The variations seen in the Mg II line profiles show that there is an internal absorption over a broad velocity band independent of the pulsational phase. We attribute this absorption to a circumstellar 'shell'. This 'shell' appears to be seen also as spatially extended emission in the O I line at 1300 angstrom, which is probably excited by resonance with Ly beta.

Seasonal variation in the flux of euthecosomatous pteropods collected in a deep sediment trap in the Sargasso Sea

NASA Astrophysics Data System (ADS)

Almogi-Labin, A.; Hemleben, Ch.; Deuser, W. G.

1988-03-01

A 4-year series of sediment trap samples from a depth of 3.2 km in the Sargasso Sea (32°05'N, 64°15'W) has revealed seasonal variations in the flux of euthecosomatous pteropods. Total pteropod flux is related to seasonal variations of the total particulate and organic carbon flux with a lag of 1-1.5 months. High flux of pteropods (>200 specimens m -2 day -1) occurs in late winter to mid-summer. Shells of individual pteropod species arrive in deep water in a seasonal succession similar to that in the living assemblage. Peak fluxes of Styliola subula, Clio pyramidata and Limacina bulimoides were recorded from February to May. Limacina inflata, Limacina lesueuri and Cuvierina columnella entered the trap in maximum numbers from April to mid-August. Creseis virgula conica and C. acicula were most abundant from June to late August. The latter two are non-migrating, epipelagic pteropods and comprise <10% of the assemblage. Diel migrators dominate the pteropod assemblage (92%). During the summer months they appear to migrate at greater depth, without reaching the surface water. Although many young are produced, only a small fraction, about 4% in the case of L. inflata and L. bulimoides, survives and reaches maturity. Adult shell size of L. inflata and L. bulimoides varies seasonally, reaching maximum size during spring, probably in response to increasing food availability.

Ion-gel-gating-induced oxygen vacancy formation in epitaxial L a0.5S r0.5Co O3 -δ films from in operando x-ray and neutron scattering

NASA Astrophysics Data System (ADS)

Walter, Jeff; Yu, Guichuan; Yu, Biqiong; Grutter, Alexander; Kirby, Brian; Borchers, Julie; Zhang, Zhan; Zhou, Hua; Birol, Turan; Greven, Martin; Leighton, Chris

2017-12-01

Ionic-liquid/gel-based transistors have emerged as a potentially ideal means to accumulate high charge-carrier densities at the surfaces of materials such as oxides, enabling control over electronic phase transitions. Substantial gaps remain in the understanding of gating mechanisms, however, particularly with respect to charge carrier vs oxygen defect creation, one contributing factor being the dearth of experimental probes beyond electronic transport. Here we demonstrate the use of synchrotron hard x-ray diffraction and polarized neutron reflectometry as in operando probes of ion-gel transistors based on ferromagnetic L a0.5S r0.5Co O3 -δ . An asymmetric gate-bias response is confirmed to derive from electrostatic hole accumulation at negative gate bias vs oxygen vacancy formation at positive bias. The latter is detected via a large gate-induced lattice expansion (up to 1%), complementary bulk measurements and density functional calculations enabling quantification of the bias-dependent oxygen vacancy density. Remarkably, the gate-induced oxygen vacancies proliferate through the entire thickness of 30-40-unit-cell-thick films, quantitatively accounting for changes in the magnetization depth profile. These results directly elucidate the issue of electrostatic vs redox-based response in electrolyte-gated oxides, also demonstrating powerful approaches to their in operando investigation.

Fe-N co-doped SiO2@TiO2 yolk-shell hollow nanospheres with enhanced visible light photocatalytic degradation

NASA Astrophysics Data System (ADS)

Wan, Hengcheng; Yao, Weitang; Zhu, Wenkun; Tang, Yi; Ge, Huilin; Shi, Xiaozhong; Duan, Tao

2018-06-01

SiO2@TiO2 yolk@shell hollow nanospheres (STNSs) is considered as an outstanding photocatalyst due to its tunable structure and composition. Based on this point, we present an unprecedentedly excellent photocatalytic property of STNSs toward tannic acid via a Fe-N co-doped strategy. Their morphologies, compositions, structure and properties are characterized. The Fe-N co-doped STNSs formed good hollow yolk@shell structure. The results show that the energy gap of the composites can be downgraded to 2.82 eV (pure TiO2 = 3.2 eV). Photocatalytic degradation of tannic acid (TA, 30 mg L-1) under visible light (380 nm < λ < 780 nm) irradiation is used to evaluate the photocatalytic activity of the composites. Compared with pure TiO2 nanospheres, non-doped STNSs and N-doped STNSs, the Fe-N co-doped STNSs exhibits the highest activity, which can degrade 99.5% TA into CO2 and H2O in 80 min. The probable degradation mechanism of the composites is simultaneously proposed, the band gap of STNSs becomes narrow by co-doping Fe-N, so that the TiO2 shell can stimulate electrons under visible light exposure, generate the ions of radOH and radO2- with a strong oxidizing property. Therefore this approach works is much desired for radioactive organic wastewater photocatalytic degradation.

DFT calculations of graphene monolayer in presence of Fe dopant and vacancy

NASA Astrophysics Data System (ADS)

Ostovari, Fatemeh; Hasanpoori, Marziyeh; Abbasnejad, Mohaddeseh; Salehi, Mohammad Ali

2018-07-01

In the present work, the effects of Fe doping and vacancies on the electronic, magnetic and optical properties of graphene are studied by density functional theory based calculations. The conductive behavior is revealed for the various defected graphene by means of electronic density of states. However, defected structures show different magnetic and optical properties compared to those of pure one. The ferromagnetic phase is the most probable phase by substituting Fe atoms and vacancies at AA sublattice of graphene. The optical properties of impure graphene differ from pure graphene under illumination with parallel polarization of electric field, whereas for perpendicular polarization it remains unchanged. In presence of defect and under parallel polarization of light, the static dielectric constant rises strongly and the maximum peak of Im ε(ω) shows red shift relative to pure graphene. Moreover, the maximum absorption peak gets broaden in the visible to infrared region at the same condition and the magnitude and related energy of peaks shift to higher value in the EELS spectra. Furthermore, the results show that the maximum values of refractive index and reflectivity spectra increase rapidly and represent the red and blue shifts; respectively. Generally; substituting the C atom with Fe has more effect on magnetic and optical properties relative to the C vacancies.

Core/Shell Structured TiO2/CdS Electrode to Enhance the Light Stability of Perovskite Solar Cells.

PubMed

Hwang, Insung; Baek, Minki; Yong, Kijung

2015-12-23

In this work, enhanced light stability of perovskite solar cell (PSC) achieved by the introduction of a core/shell-structured CdS/TiO2 electrode and the related mechanism are reported. By a simple solution-based process (SILAR), a uniform CdS shell was coated onto the surface of a TiO2 layer, suppressing the activation of intrinsic trap sites originating from the oxygen vacancies of the TiO2 layer. As a result, the proposed CdS-PSC exhibited highly improved light stability, maintaining nearly 80% of the initial efficiency after 12 h of full sunlight illumination. From the X-ray diffraction analyses, it is suggested that the degradation of the efficiency of PSC during illumination occurs regardless of the decomposition of the perovskite absorber. Considering the light-soaking profiles of the encapsulated cells and the OCVD characteristics, it is likely that the CdS shell had efficiently suppressed the undesirable electron kinetics, such as trapping at the surface defects of the TiO2 and preventing the resultant charge losses by recombination. This study suggests that further complementary research on various effective methods for passivation of the TiO2 layer would be highly meaningful, leading to insight into the fabrication of PSCs stable to UV-light for a long time.

Updating the Jovian Proton Radiation Environment - 2015

NASA Technical Reports Server (NTRS)

Garrett, Henry; Martinez-Sierra, Luz Maria; Evans, Robin

2015-01-01

Since publication in 1983 by N. Divine and H. Garrett, the Jet Propulsion Laboratory's plasma and radiation models have been the design standard for NASA's missions to Jupiter. These models consist of representations of the cold plasma and electrons, the warm and auroral electrons and protons, and the radiation environment (electron, proton, and heavy ions). To date, however, the high-energy proton model has been limited to an L-shell of 12. With the requirement to compute the effects of the high energy protons and other heavy ions on the proposed Europa mission, the extension of the high energy proton model from approximately 12 L-shell to approximately 50 L-shell has become necessary. In particular, a model of the proton environment over that range is required to estimate radiation effects on the solar arrays for the mission. This study describes both the steps taken to extend the original Divine proton model out to an approximately 50 L-shell and the resulting model developed to accomplish that goal. In addition to hydrogen, the oxygen, sulfur, and helium heavy ion environments have also been added between approximately 6 L-shell and approximately 50 L-shell. Finally, selected examples of the model's predictions are presented to illustrate the uses of the tool.

Many-body ab initio diffusion quantum Monte Carlo applied to the strongly correlated oxide NiO

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

Mitra, Chandrima; Krogel, Jaron T.; Santana, Juan A.

2015-10-28

We present a many-body diffusion quantum Monte Carlo (DMC) study of the bulk and defect properties of NiO. We find excellent agreement with experimental values, within 0.3%, 0.6%, and 3.5% for the lattice constant, cohesive energy, and bulk modulus, respectively. The quasiparticle bandgap was also computed, and the DMC result of 4.72 (0.17) eV compares well with the experimental value of 4.3 eV. Furthermore, DMC calculations of excited states at the L, Z, and the gamma point of the Brillouin zone reveal a flat upper valence band for NiO, in good agreement with Angle Resolved Photoemission Spectroscopy results. To studymore » defect properties, we evaluated the formation energies of the neutral and charged vacancies of oxygen and nickel in NiO. A formation energy of 7.2 (0.15) eV was found for the oxygen vacancy under oxygen rich conditions. For the Ni vacancy, we obtained a formation energy of 3.2 (0.15) eV under Ni rich conditions. These results confirm that NiO occurs as a p-type material with the dominant intrinsic vacancy defect being Ni vacancy.« less

Inner-shell radiation from wire array implosions on the Zebra generator

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

Ouart, N. D.; Giuliani, J. L.; Dasgupta, A.

2014-03-15

Implosions of brass wire arrays on Zebra have produced L-shell radiation as well as inner-shell Kα and Kβ transitions. The L-shell radiation comes from ionization stages around the Ne-like charge state that is largely populated by a thermal electron energy distribution function, while the K-shell photons are a result of high-energy electrons ionizing or exciting an inner-shell (1s) electron from ionization stages around Ne-like. The K- and L-shell radiations were captured using two time-gated and two axially resolved time-integrated spectrometers. The electron beam was measured using a Faraday cup. A multi-zone non-local thermodynamic equilibrium pinch model with radiation transport ismore » used to model the x-ray emission from experiments for the purpose of obtaining plasma conditions. These plasma conditions are used to discuss some properties of the electron beam generated by runaway electrons. A simple model for runaway electrons is examined to produce the Kα radiation, but it is found to be insufficient.« less

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

Bazalova, M; Ahmad, M; Fahrig, R

Purpose: To evaluate x-ray fluorescence computed tomography induced with proton beams (pXFCT) for imaging of gold contrast agent. Methods: Proton-induced x-ray fluorescence was studied by means of Monte Carlo (MC) simulations using TOPAS, a MC code based on GEANT4. First, proton-induced K-shell and L-shell fluorescence was studied as a function of proton beam energy and 1) depth in water and 2) size of contrast object. Second, pXFCT images of a 2-cm diameter cylindrical phantom with four 5- mm diameter contrast vials and of a 20-cm diameter phantom with 1-cm diameter vials were simulated. Contrast vials were filled with water andmore » water solutions with 1-5% gold per weight. Proton beam energies were varied from 70-250MeV. pXFCT sinograms were generated based on the net number of gold K-shell or L-shell x-rays determined by interpolations from the neighboring 0.5keV energy bins of spectra collected with an idealized 4π detector. pXFCT images were reconstructed with filtered-back projection, and no attenuation correction was applied. Results: Proton induced x-ray fluorescence spectra showed very low background compared to x-ray induced fluorescence. Proton induced L-shell fluorescence had a higher cross-section compared to K-shell fluorescence. Excitation of L-shell fluorescence was most efficient for low-energy protons, i.e. at the Bragg peak. K-shell fluorescence increased with increasing proton beam energy and object size. The 2% and 5% gold contrast vials were accurately reconstructed in K-shell pXFCT images of both the 2-cm and 20-cm diameter phantoms. Small phantom L-shell pXFCT image required attenuation correction and had a higher sensitivity for 70MeV protons compared to 250MeV protons. With attenuation correction, L-shell pXFCT might be a feasible option for imaging of small size (∼2cm) objects. Imaging doses for all simulations were 5-30cGy. Conclusion: Proton induced x-ray fluorescence CT promises to be an alternative quantitative imaging technique to the commonly considered XFCT imaging with x-ray beams.« less

Morphology and electronic structure of the oxide shell on the surface of iron nanoparticles.

PubMed

Wang, Chongmin; Baer, Donald R; Amonette, James E; Engelhard, Mark H; Antony, Jiji; Qiang, You

2009-07-01

An iron (Fe) nanoparticle exposed to air at room temperature will be instantly covered by an oxide shell that is typically approximately 3 nm thick. The nature of this native oxide shell, in combination with the underlying Fe(0) core, determines the physical and chemical behavior of the core-shell nanoparticle. One of the challenges of characterizing core-shell nanoparticles is determining the structure of the oxide shell, that is, whether it is FeO, Fe(3)O(4), gamma-Fe(2)O(3), alpha-Fe(2)O(3), or something else. The results of prior characterization efforts, which have mostly used X-ray diffraction and spectroscopy, electron diffraction, and transmission electron microscopic imaging, have been framed in terms of one of the known Fe-oxide structures, although it is not necessarily true that the thin layer of Fe oxide is a known Fe oxide. In this Article, we probe the structure of the oxide shell on Fe nanoparticles using electron energy loss spectroscopy (EELS) at the oxygen (O) K-edge with a spatial resolution of several nanometers (i.e., less than that of an individual particle). We studied two types of representative particles: small particles that are fully oxidized (no Fe(0) core) and larger core-shell particles that possess an Fe core. We found that O K-edge spectra collected for the oxide shell in nanoparticles show distinct differences from those of known Fe oxides. Typically, the prepeak of the spectra collected on both the core-shell and the fully oxidized particles is weaker than that collected on standard Fe(3)O(4). Given the fact that the origin of this prepeak corresponds to the transition of the O 1s electron to the unoccupied state of O 2p hybridized with Fe 3d, a weak pre-edge peak indicates a combination of the following four factors: a higher degree of occupancy of the Fe 3d orbital; a longer Fe-O bond length; a decreased covalency of the Fe-O bond; and a measure of cation vacancies. These results suggest that the coordination configuration in the oxide shell on Fe nanoparticles is defective as compared to that of their bulk counterparts. Implications of these defective structural characteristics on the properties of core-shell structured iron nanoparticles are discussed.

77 FR 67353 - Combined Notice of Filings #2

Federal Register 2010, 2011, 2012, 2013, 2014

2012-11-09

.... Applicants: Shell Energy North America (U.S.), L.P. Description: Shell Energy North America (U.S.), L.P.... Docket Numbers: ER13-269-000. Applicants: PJM Interconnection, L.L.C. Description: Original Service... p.m. ET 11/21/12. Docket Numbers: ER13-281-000. Applicants: Star Energy Partners LLC. Description...

Infectious bronchitis virus and brown shell colour: Australian strains of infectious bronchitis virus affect brown eggshell colour in commercial laying hens differently.

PubMed

Samiullah, Sami; Roberts, Juliet; Chousalkar, Kapil

2016-10-01

The aim of the current study was to assess any effect of wild and vaccine Australian infectious bronchitis virus (IBV) strains on shell colour in brown-shelled eggs. In Experiment 1, eggs were collected from day 1 to day 13 post-inoculation (p.i.) from unvaccinated laying hens challenged with IBV wild strains T and N1/88 and from a negative control group of hens. In Experiment 2, eggs were collected from 2 to 22 days p.i. from unvaccinated and vaccinated laying hens challenged with either a wild or a vaccine strain of IBV. In Experiment 1, there was a significant effect (P < 0.05) of day p.i. and of viral strain on shell reflectivity, L* and protoporphyrin IX (PP IX) in eggshells, with and without cuticle. The mean PP IX/g of shell with and without cuticle was significantly higher on day 1 p.i. compared to day 7, after which PP IX increased with day p.i. In Experiment 2, shell reflectivity and L* increased and PP IX decreased with increased day p.i. until day 12. Shell reflectivity and L* decreased slightly after day 12 and increased again towards day 22. Shell reflectivity, L* and PP IX were not significantly different for eggshells from unvaccinated and vaccinated laying hens in the intact eggshell, but were significantly different in shells from which cuticle had been removed. In conclusion, the IBV strains reduced the intensity of brown shell colour to different extents with a lower amount of PP IX in eggshells.

Double Shell Tank AY-102 Radioactive Waste Leak Investigation

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

Washenfelder, Dennis J.

2014-04-10

PowerPoint. The objectives of this presentation are to: Describe Effort to Determine Whether Tank AY-102 Leaked; Review Probable Causes of the Tank AY-102 Leak; and, Discuss Influence of Leak on Hanford’s Double-Shell Tank Integrity Program.

Shell microstructure of the late Carboniferous rostroconch mollusc Apotocardium lanterna (Branson, 1965)

USGS Publications Warehouse

Rogalla, N.S.; Carter, J.G.; Pojeta, J.

2003-01-01

The Late Carboniferous bransoniid conocardioidean Apotocardium lanterna (Branson, 1965) had an entirely aragonitic shell with a finely prismatic outer shell layer, a predominantly crossed lamellar to complex crossed lamellar middle shell layer, and an "inner" shell layer of finely textured porcelaneous and/or matted structure. This "inner" layer is probably homologous with the inner part of the middle shell layer and the inner layer sensu stricto of bivalved molluscs. Shell morphological and microstructural convergences between conocardioids and living heart cockles suggest that at least some conocardioids may have farmed algal endosymbionts in their posterior mantle margins. This symbiosis may have helped conocardioids compete with the biomechanically more efficient bivalves during the latter part of the Paleozoic.

Proton Induced X-ray Emission Spectroscopy of Red Wine Samples Using the Union College Pelletron Accelerator

NASA Astrophysics Data System (ADS)

Schuff, Katie; Labrake, Scott

2010-11-01

A 1-megavolt tandem electrostatic Pelletron particle accelerator housed at Union College was used to measure the elemental composition and concentration of homemade Cabernet and Merlot red wine samples. A beam of 1.8-MeV protons directed at an approximately 12-μm thin Mylar substrate onto which 8-μL of concentrated red wine was dried caused inner shell electrons to be ejected from the target nuclei and these vacancies are filled through electronic transitions of higher orbital electrons accompanied by the production of an x-ray photon characteristic of the elemental composition of the target. This is the PIXE Method. Data on the intensity versus energy of the x-rays were collected using an Amptek silicon drift detector and were analyzed to determine the elemental composition and the samples were found to contain P, S, K, Cl, Ca, Sc, Mn, Al, Fe, & Co. Elemental concentrations were determined using the analysis package GUPIX. It is hypothesized that the cobalt seen is a direct result of the uptake by the grapes and as a product of the fermentation process a complex of vitamin B12 is produced.

Defects in ion-implanted hcp-titanium: A first-principles study of electronic structures

NASA Astrophysics Data System (ADS)

Raji, Abdulrafiu T.; Mazzarello, Riccardo; Scandolo, Sandro; Nsengiyumva, Schadrack; Härting, Margit; Britton, David T.

2011-12-01

The electronic structures of hexagonal closed-packed (h.c.p) titanium containing a vacancy and krypton impurity atoms at various insertion sites are calculated by first-principles methods in the framework of the density-functional theory (DFT). The density of states (DOS) for titanium containing a vacancy defect shows resonance-like features. Also, the bulk electron density decreases from ˜0.15/Å 3 to ˜0.05/Å 3 at the vacancy centre. Electronic structure calculations have been performed to investigate what underlies the krypton site preference in titanium. The DOS of the nearest-neighbour (NN) titanium atoms to the octahedral krypton appears to be less distorted (relative to pure titanium) when compared to the NN titanium atoms to the tetrahedral krypton. The electronic density deformation maps show that polarization of the titanium atoms is stronger when the krypton atom is located at the tetrahedral site. Since krypton is a closed-shell atom, thus precluding any bonding with the titanium atoms, we may conclude that the polarization of the electrons in the vicinity of the inserted krypton atoms and the distortion of the DOS of the NN titanium atoms to the krypton serve to indicate which defect site is preferred when a krypton atom is inserted into titanium. Based on these considerations, we conclude that the substitutional site is the most favourable one, and the octahedral is the preferred interstitial site, in agreement with recent DFT calculations of the energetics of krypton impurity sites.

Topotactic Reactions, Structural Studies, and Lithium Intercalation in Cation-Deficient Spinels with Formula Close to Li 2Mn 4O 9

NASA Astrophysics Data System (ADS)

Palos, A. Ibarra; Anne, M.; Strobel, P.

2001-08-01

The composition Li2Mn4O9, reported as a spinel oxide containing vacancies on both tetrahedral and octahedral sites [A. de Kock et al., Mater. Res. Bull. 25, 657 (1990)], was approached using three different preparation routes: low-temperature solid state reaction (A), chemical delithiation (B), and electrochemical delithiation (C). Rietveld refinements from neutron diffraction data confirmed the double-vacancy scheme proposed previously for product A, but with more tetrahedral and fewer octahedral vacancies than in the ideal Li2Mn4O9 formula. Low-temperature solid state reactions systematically result in broad reflections. Sample B, which was obtained topotactically, exhibits much narrower reflections. But chemical analyses, thermogravimetry, and neutron diffraction show that the acid treatment introduces significant amounts of protons, resulting in a formula close to Li0.92HMn4O9. Samples A and B were cycled electrochemically in lithium cells at 3 V with better stability than LiMn2O4, probably due to their higher initial manganese oxidation state. No separate electrochemical step linked to the filling of vacancies is observed in A, whereas B gives an additional redox step ca. 200 mV above the main plateau. This feature is not observed on compounds A or C; it is reversible, and seems to be a specific property of this spinel with a low initial cell parameter (8.09 Å). Sample A2 with double cation vacancies is especially stable on cycling at 3 V, and shows a very small volume variation on lithium intercalation.

Defects in N/Ge coimplanted GaN studied by positron annihilation

NASA Astrophysics Data System (ADS)

Nakano, Yoshitaka; Kachi, Tetsu

2002-01-01

We have applied positron annihilation spectroscopy to study the depth distributions and species of defects in N-, Ge-, and N/Ge-implanted GaN at dosages of 1×1015 cm-2. For all the implanted samples, Ga vacancies introduced by ion-implantation are found to diffuse into much deeper regions of the GaN layers during the implantation and to change into some other vacancy-type defects by the annealing at 1300 °C. In particular, markedly different defects turn out to be newly created in the electrically activated regions for both the Ge- and N/Ge-implanted samples after annealing, indicating that these new defects are probably associated with the presence of the implanted Ge dopant atoms.

Extraction of chitin from red crab shell waste by cofermentation with Lactobacillus paracasei subsp. tolerans KCTC-3074 and Serratia marcescens FS-3.

PubMed

Jung, W J; Jo, G H; Kuk, J H; Kim, K Y; Park, R D

2006-06-01

For one-step extraction of chitin from red crab shell waste, cofermentation with Lactobacillus paracasei subsp. tolerans KCTC-3074, a lactic-acid-producing bacterium, and Serratia marcescens FS-3, a protease-producing bacterium, was conducted. Fermentation with single strain (L. 3074 or FS-3) was also conducted. At day 7, the pH in L. 3074, FS-3, and L. 3074+FS-3 (1:1) treatment decreased from 6.90 to 3.30, 5.88, and 3.48, respectively. Ash content in the residue after fermentation treatment of crab shells in L. 3074 and L. 3074+FS-3 (1:1) treatment drastically decreased from 41.2% to 3.19 and 1.15%, respectively. In L. 3074+FS-3 (1:1) cofermentation, the level of demineralization was the highest value of 97.2%, but the level of deproteinization in the cofermentation was 52.6% at day 7. Protein content in the treatment of FS-3 alone reduced from 22.4 to 3.62%. These results indicate that cofermentation of the shells using the two strains is efficient and applicable for the one-step extraction of crude chitin from red crab shell waste.

Universal empirical fit to L-shell X-ray production cross sections in ionization by protons

NASA Astrophysics Data System (ADS)

Lapicki, G.; Miranda, J.

2018-01-01

A compilation published in 2014, with a recent 2017 update, contains 5730 experimental total L-shell X-ray production cross sections (XRPCS). The database covers an energy range from 10 keV to 1 GeV, and targets from 18Ar to 95Am. With only two adjustable parameters, universal fit to these data normalized to XRPCS calculated at proton velocity v1 equal to the electron velocity in the L-shell v2L, is obtained in terms of a single ratio of v1/v2L. This fit reproduces 97% of the compiled XRPCS to within a factor of 2.

Spatially resolved x-ray fluorescence spectroscopy of beryllium capsule implosions at the NIF

NASA Astrophysics Data System (ADS)

MacDonald, M. J.; Bishel, D. T.; Saunders, A. M.; Scott, H. A.; Kyrala, G.; Kline, J.; MacLaren, S.; Thorn, D. B.; Yi, S. A.; Zylstra, A. B.; Falcone, R. W.; Doeppner, T.

2017-10-01

Beryllium ablators used in indirectly driven inertial confinement fusion implosions are doped with copper to prevent preheat of the cryogenic hydrogen fuel. Here, we present analysis of spatially resolved copper K- α fluorescence spectra from the beryllium ablator layer. It has been shown that K- α fluorescence spectroscopy can be used to measure plasma conditions of partially ionized dopants in high energy density systems. In these experiments, K-shell vacancies in the copper dopant are created by the hotspot emission at stagnation, resulting in K-shell fluorescence at bang time. Spatially resolved copper K- α emission spectra are compared to atomic kinetics and radiation code simulations to infer density and temperature profiles. This work was supported by the US DOE under Grant No. DE-NA0001859, under the auspices of the US DOE by Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344, and by Los Alamos National Laboratory under contract DE-AC52-06NA52396.

Periodically Ordered Nanoporous Perovskite Photoelectrode for Efficient Photoelectrochemical Water Splitting.

PubMed

Shi, Li; Zhou, Wei; Li, Zhao; Koul, Supriya; Kushima, Akihiro; Yang, Yang

2018-06-18

Nonmetallic materials with localized surface plasmon resonance (LSPR) have a great potential for solar energy harvesting applications. Exploring nonmetallic plasmonic materials is desirable yet challenging. Herein, an efficient nonmetallic plasmonic perovskite photoelectrode, namely, SrTiO 3 , with a periodically ordered nanoporous structure showing an intense LSPR in the visible light region is reported. The crystalline-core@amorphous-shell structure of the SrTiO 3 photoelectrode enables a strong LSPR due to the high charge carrier density induced by oxygen vacancies in the amorphous shell. The reversible tunability in LSPR of the SrTiO 3 photoelectrode was observed by oxidation/reduction treatment and incident angle adjusting. Such a nonmetallic plasmonic SrTiO 3 photoelectrode displays a dramatic plasmon-enhanced photoelectrochemical water splitting performance with a photocurrent density of 170.0 μA cm -2 under visible light illumination and a maximum incident photon-to-current-conversion efficiency of 4.0% in the visible light region, which are comparable to the state-of-the-art plasmonic noble metal sensitized photoelectrodes.

Target Z dependence of Xe L x-ray emission in heavy ion-atom collision near the Bohr velocity: influence of level matching

NASA Astrophysics Data System (ADS)

Ren, Jieru; Zhao, Yongtao; Zhou, Xianming; Cheng, Rui; Lei, Yu; Sun, Yuanbo; Wang, Xing; Xu, Ge; Wang, Yuyu; Liu, Shidong; Yu, Yang; Li, Yongfeng; Zhang, Xiaoan; Xu, Zhongfeng; Xiao, Guoqing

2013-09-01

X-ray yields for the projectile L-shell have been measured for collisions between Xe20+ and thick solid targets throughout the periodic table with incident energies near the Bohr velocity. The yields show a very pronounced cyclic dependence on the target atomic number. This result indicates that Xe L x-ray emission intensity is greatly enhanced either in near-symmetric collisions or if the binding energy of the Xe M-shell matches the L- or N-shell binding energy of the target.

Electronic structure, magnetic and structural properties of Ni doped ZnO nanoparticles

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

Kumar, Shalendra, E-mail: shailuphy@gmail.com; Vats, Prashant; Gautam, S.

Highlights: • XRD, and HR-TEM results show the single phase nature of Ni doped ZnO nanoparticles. • dc magnetization results indicate the RT-FM in Ni doped ZnO nanoparticles. • Ni L{sub 3,2} edge NEXAFS spectra infer that Ni ions are in +2 valence state. • O K edge NEXAFS spectra show that O vacancy increases with Ni doping in ZnO. - Abstract: We report structural, magnetic and electronic structural properties of Ni doped ZnO nanoparticles prepared by auto-combustion method. The prepared nanoparticles were characterized by using X-ray diffraction (XRD), high resolution transmission electron microscopy (HR-TEM), near edge X-ray absorption finemore » structure (NEXAFS) spectroscopy, and dc magnetization measurements. The XRD and HR-TEM results indicate that Ni doped ZnO nanoparticles have single phase nature with wurtzite lattice and exclude the presence of secondary phase. NEXAFS measurements performed at Ni L{sub 3,2}-edges indicates that Ni ions are in +2 valence state and exclude the presence of Ni metal clusters. O K-edge NEXAFS spectra indicate an increase in oxygen vacancies with Ni-doping, while Zn L{sub 3,2}-edge show the absence of Zn-vacancies. The magnetization measurements performed at room temperature shows that pure and Ni doped ZnO exhibits ferromagnetic behavior.« less

Non-Deterministic Dynamic Instability of Composite Shells

NASA Technical Reports Server (NTRS)

Chamis, Christos C.; Abumeri, Galib H.

2004-01-01

A computationally effective method is described to evaluate the non-deterministic dynamic instability (probabilistic dynamic buckling) of thin composite shells. The method is a judicious combination of available computer codes for finite element, composite mechanics, and probabilistic structural analysis. The solution method is incrementally updated Lagrangian. It is illustrated by applying it to thin composite cylindrical shell subjected to dynamic loads. Both deterministic and probabilistic buckling loads are evaluated to demonstrate the effectiveness of the method. A universal plot is obtained for the specific shell that can be used to approximate buckling loads for different load rates and different probability levels. Results from this plot show that the faster the rate, the higher the buckling load and the shorter the time. The lower the probability, the lower is the buckling load for a specific time. Probabilistic sensitivity results show that the ply thickness, the fiber volume ratio and the fiber longitudinal modulus, dynamic load and loading rate are the dominant uncertainties, in that order.

Long-term-average, solar cycle, and seasonal response of magnetospheric energetic electrons to the solar wind speed

NASA Astrophysics Data System (ADS)

Vassiliadis, D.; Klimas, A. J.; Kanekal, S. G.; Baker, D. N.; Weigel, R. S.

2002-11-01

Among the interplanetary activity parameters the solar wind speed is the one best correlated with the energetic electron fluxes in the inner magnetosphere. We examine the radial and temporal characteristics of the 2-6 MeV electron response, approximating it in this paper with linear filters. The filter response is parameterized by the time delay (τ), measured from the time of solar wind impact, and the L shell (L). We examine solar cycle and seasonal effects using an 8-year-long database of Solar, Anomalous, and Magnetospheric Particle Explorer (SAMPEX)/ Proton Electron Telescope (PET) measurements at the radial range L = 1.1-10. The main peak P1 of the long-term-average response is at (τ, L) = (2, 5.3) and has a simultaneous response over a wide range of radial distances, ΔL = 5. The duration of the response after the peak is inversely proportional to the L shell. The central part of the inner magnetosphere (L = 3.7-5.75) has a much more prolonged response (>10 days) than other parts. Prior to the main response, P1, a brief response, P0, of typically lower amplitude appears at (τ, L) = (0, 3), probably as a quasi-adiabatic response to the compression of the magnetosphere by the solar wind pressure. Over the solar cycle the variation in solar wind input results in a systematic change of the position, amplitude, radial extent, and duration of the two peaks: during solar wind minimum the quasi-adiabatic peak disappears, and the radial size of the responding region decreases; both are responses to low-density, high-speed streams. During solar minimum, the duration is at least 3 days (30%) longer than average, probably due to the sustained solar wind input. Systematic variations appear also as a function of season due to several magnetic and fluid effects. During equinoxes the coupling is stronger, and the duration is longer (by at least 2 days) compared to solstices. Between the two equinoxes the fall response has a significantly higher amplitude and longer duration than the spring equinox response. This is at least partly due to the higher GSE By component during the observation time, which acts to increase the effective GSM Bz component according to the Russell-McPherron effect. The seasonal modulation of the response is consistent with the variation in the fluxes themselves [, 1999]. The modulation is discussed in terms of the equinoctial and axial hypotheses [, 1970; , 1973; , 2000].

Many-body ab initio diffusion quantum Monte Carlo applied to the strongly correlated oxide NiO

DOE PAGES

Mitra, Chandrima; Krogel, Jaron T.; Santana, Juan A.; ...

2015-10-28

We present a many-body diffusion quantum Monte Carlo (DMC) study of the bulk and defect properties of NiO. We find excellent agreement with experimental values, within 0.3%, 0.6%, and 3.5% for the lattice constant, cohesive energy, and bulk modulus, respectively. The quasiparticle bandgap was also computed, and the DMC result of 4.72 (0.17) eV compares well with the experimental value of 4.3 eV. Furthermore, DMC calculations of excited states at the L, Z, and the gamma point of the Brillouin zone reveal a flat upper valence band for NiO, in good agreement with Angle Resolved Photoemission Spectroscopy results. To studymore » defect properties, we evaluated the formation energies of the neutral and charged vacancies of oxygen and nickel in NiO. A formation energy of 7.2 (0.15) eV was found for the oxygen vacancy under oxygen rich conditions. For the Ni vacancy, we obtained a formation energy of 3.2 (0.15) eV under Ni rich conditions. Lastly, these results confirm that NiO occurs as a p-type material with the dominant intrinsic vacancy defect being Ni vacancy. (C) 2015 AIP Publishing LLC.« less

A first-principles study of the preventive effects of Al and Mg doping on the degradation in LiNi0.8Co0.1Mn0.1O2 cathode materials.

PubMed

Min, Kyoungmin; Seo, Seung-Woo; Song, You Young; Lee, Hyo Sug; Cho, Eunseog

2017-01-18

First-principles calculations have been used to investigate the effects of Al and Mg doping on the prevention of degradation phenomena in Li(Ni 0.8 Co 0.1 Mn 0.1 )O 2 cathode materials. Specifically, we have examined the effects of dopants on the suppression of oxygen evolution and cation disordering, as well as their correlation. It is found that Al doping can suppress the formation of oxygen vacancies effectively, while Mg doping prevents the cation disordering behaviors, i.e., excess Ni and Li/Ni exchange, and Ni migration. This study also demonstrates that formation of oxygen vacancies can facilitate the construction of the cation disordering, and vice versa. Delithiation can increase the probabilities of formation of all defect types, especially oxygen vacancies. When oxygen vacancies are present, Ni can migrate to the Li site during delithiation. However, Al and Mg doping can inhibit Ni migration, even in structures with preformed oxygen defects. The analysis of atomic charge variations during delithiation demonstrates that the degree of oxidation behavior in oxygen atoms is alleviated in the case of Al doping, indicating the enhanced oxygen stability in this structure. In addition, changes in the lattice parameters during delithiation are suppressed in the Mg-doped structure, which suggests that Mg doping may improve the lattice stability.

Photoluminescence and positron annihilation spectroscopic investigation on a H(+) irradiated ZnO single crystal.

PubMed

Sarkar, A; Chakrabarti, Mahuya; Sanyal, D; Bhowmick, D; Dechoudhury, S; Chakrabarti, A; Rakshit, Tamita; Ray, S K

2012-08-15

Low temperature photoluminescence and room temperature positron annihilation spectroscopy have been employed to investigate the defects incorporated by 6 MeV H(+) ions in a hydrothermally grown ZnO single crystal. Prior to irradiation, the emission from donor bound excitons is at 3.378 eV (10 K). The irradiation creates an intense and narrow emission at 3.368 eV (10 K). The intensity of this peak is nearly four times that of the dominant near band edge peak of the pristine crystal. The characteristic features of the 3.368 eV emission indicate its origin as a 'hydrogen at oxygen vacancy' type defect. The positron annihilation lifetime measurement reveals a single component lifetime spectrum for both the unirradiated (164 ± 1 ps) and irradiated crystal (175 ± 1 ps). It reflects the fact that the positron lifetime and intensity of the new irradiation driven defect species are a little higher compared to those in the unirradiated crystal. However, the estimated defect concentration, even considering the high dynamic defect annihilation rate in ZnO, comes out to be ∼4 × 10(17) cm(-3) (using SRIM software). This is a very high defect concentration compared to the defect sensitivity of positron annihilation spectroscopy. A probable reason is the partial filling of the incorporated vacancies (positron traps), which in ZnO are zinc vacancies. The positron lifetime of ∼175 ps (in irradiated ZnO) is consistent with recent theoretical calculations for partially hydrogen-filled zinc vacancies in ZnO. Passivation of oxygen vacancies by hydrogen is also reflected in the photoluminescence results. A possible reason for such vacancy filling (at both Zn and O sites) due to irradiation has also been discussed.

Preparation, characterization and luminescence properties of core-shell ternary terbium composites SiO2(600)@Tb(MABA-Si)•L

NASA Astrophysics Data System (ADS)

Ma, Yang-Yang; Li, Wen-Xian; Zheng, Yu-Shan; Bao, Jin-Rong; Li, Yi-Lian; Feng, Li-Na; Yang, Kui-Suo; Qiao, Yan; Wu, An-Ping

2018-03-01

Two novel core-shell structure ternary terbium composites SiO2(600)@Tb(MABA-Si)·L(L:dipy/phen) nanometre luminescence materials were prepared by ternary terbium complexes Tb(MABA-Si)·L2·(ClO4)3·2H2O shell grafted onto the surface of SiO2 microspheres. And corresponding ternary terbium complexes were synthesized using (CONH(CH2)3Si(OCH2CH3)3)2 (denoted as MABA-Si) as first ligand and L as second ligand coordinated with terbium perchlorate. The as-synthesized products were characterized by means of IR spectra, 1HNMR, element analysis, molar conductivity, SEM and TEM. It was found that the first ligand MABA-Si of terbium ternary complex hydrolysed to generate the Si-OH and the Si-OH condensate with the Si-OH on the surface of SiO2 microspheres; then ligand MABA-Si grafted onto the surface of SiO2 microspheres. The diameter of SiO2 core of SiO2(600)@Tb(MABA-Si)·L was approximately 600 nm. Interestingly, the luminescence properties demonstrate that the two core-shell structure ternary terbium composites SiO2(600)Tb(MABA-Si)·L(dipy/phen) exhibit strong emission intensities, which are 2.49 and 3.35 times higher than that of the corresponding complexes Tb(MABA-Si)·L2·(ClO4)3·2H2O, respectively. Luminescence decay curves show that core-shell structure ternary terbium composites have longer lifetime. Excellent luminescence properties enable the core-shell materials to have potential applications in medicine, industry, luminescent fibres and various biomaterials fields.

Preparation, characterization and luminescence properties of core-shell ternary terbium composites SiO2(600)@Tb(MABA-Si)•L.

PubMed

Ma, Yang-Yang; Li, Wen-Xian; Zheng, Yu-Shan; Bao, Jin-Rong; Li, Yi-Lian; Feng, Li-Na; Yang, Kui-Suo; Qiao, Yan; Wu, An-Ping

2018-03-01

Two novel core-shell structure ternary terbium composites SiO 2(600) @Tb(MABA-Si)·L(L:dipy/phen) nanometre luminescence materials were prepared by ternary terbium complexes Tb(MABA-Si)·L 2 ·(ClO 4 ) 3 ·2H 2 O shell grafted onto the surface of SiO 2 microspheres. And corresponding ternary terbium complexes were synthesized using (CONH(CH 2 ) 3 Si(OCH 2 CH 3 ) 3 ) 2 (denoted as MABA-Si) as first ligand and L as second ligand coordinated with terbium perchlorate. The as-synthesized products were characterized by means of IR spectra, 1 HNMR, element analysis, molar conductivity, SEM and TEM. It was found that the first ligand MABA-Si of terbium ternary complex hydrolysed to generate the Si-OH and the Si-OH condensate with the Si-OH on the surface of SiO 2 microspheres; then ligand MABA-Si grafted onto the surface of SiO 2 microspheres. The diameter of SiO 2 core of SiO 2(600) @Tb(MABA-Si)·L was approximately 600 nm. Interestingly, the luminescence properties demonstrate that the two core-shell structure ternary terbium composites SiO 2(600) Tb(MABA-Si)·L(dipy/phen) exhibit strong emission intensities, which are 2.49 and 3.35 times higher than that of the corresponding complexes Tb(MABA-Si)·L 2 ·(ClO 4 ) 3 ·2H 2 O, respectively. Luminescence decay curves show that core-shell structure ternary terbium composites have longer lifetime. Excellent luminescence properties enable the core-shell materials to have potential applications in medicine, industry, luminescent fibres and various biomaterials fields.

Preparation, characterization and luminescence properties of core–shell ternary terbium composites SiO2(600)@Tb(MABA-Si)•L

PubMed Central

Ma, Yang-Yang; Zheng, Yu-Shan; Bao, Jin-Rong; Li, Yi-Lian; Feng, Li-Na; Yang, Kui-Suo; Qiao, Yan; Wu, An-Ping

2018-01-01

Two novel core–shell structure ternary terbium composites SiO2(600)@Tb(MABA-Si)·L(L:dipy/phen) nanometre luminescence materials were prepared by ternary terbium complexes Tb(MABA-Si)·L2·(ClO4)3·2H2O shell grafted onto the surface of SiO2 microspheres. And corresponding ternary terbium complexes were synthesized using (CONH(CH2)3Si(OCH2CH3)3)2 (denoted as MABA-Si) as first ligand and L as second ligand coordinated with terbium perchlorate. The as-synthesized products were characterized by means of IR spectra, 1HNMR, element analysis, molar conductivity, SEM and TEM. It was found that the first ligand MABA-Si of terbium ternary complex hydrolysed to generate the Si–OH and the Si–OH condensate with the Si–OH on the surface of SiO2 microspheres; then ligand MABA-Si grafted onto the surface of SiO2 microspheres. The diameter of SiO2 core of SiO2(600)@Tb(MABA-Si)·L was approximately 600 nm. Interestingly, the luminescence properties demonstrate that the two core–shell structure ternary terbium composites SiO2(600)Tb(MABA-Si)·L(dipy/phen) exhibit strong emission intensities, which are 2.49 and 3.35 times higher than that of the corresponding complexes Tb(MABA-Si)·L2·(ClO4)3·2H2O, respectively. Luminescence decay curves show that core–shell structure ternary terbium composites have longer lifetime. Excellent luminescence properties enable the core–shell materials to have potential applications in medicine, industry, luminescent fibres and various biomaterials fields. PMID:29657773

Report on the 18th International Conference on X-ray and Inner-Shell Processes (X99).

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

Gemmell, D. S.; Physics

2000-01-01

The 18th conference of the series served as a forum for discussing fundamental issues in the field of x-ray and inner-shell processes and their application in various disciplines of science and technology. Special emphasis was given to the opportunities offered by modern synchrotron x-ray sources. The program included plenary talks, progress reports and poster presentations relating to new developments in the field of x-ray and inner-shell processes. The range of topics included: X-ray interactions with atoms, molecules, clusters, surfaces and solids; Decay processes for inner-shell vacancies; X-ray absorption and emission spectroscopy - Photoionization processes; Phenomena associated with highly charged ionsmore » and collisions with energetic particles; Electron-spin and -momentum spectroscopy; X-ray scattering and spectroscopy in the study of magnetic systems; Applications in materials science, biology, geosciences, and other disciplines; Elastic and inelastic x-ray scattering processes in atoms and molecules; Threshold phenomena (post-collision interaction, resonant Raman processes, etc.); Nuclear absorption and scattering of x-rays; 'Fourth-generation' x-ray sources; Processes exploiting the polarization and coherence properties of x-ray beams; Developments in experimental techniques (x-ray optics, temporal techniques, detectors); Microscopy, spectromicroscopy, and various imaging techniques; Non-linear processes and x-ray lasers; Ionization and excitation induced by charged particles and by x-rays; and Exotic atoms (including 'hollow' atoms and atoms that contain 'exotic' particles).« less

Structure and Formation Mechanism of Black TiO 2 Nanoparticles

DOE PAGES

Tian, Mengkun; Mahjouri-Samani, Masoud; Eres, Gyula; ...

2015-10-27

The remarkable properties of black TiO 2 are due to its disordered surface shell surrounding a crystalline core. However, the chemical composition and the atomic and electronic structure of the disordered shell and its relationship to the core remain poorly understood. Using advanced transmission electron microscopy methods, we show that the outermost layer of black TiO 2 nanoparticles consists of a disordered Ti 2O 3 shell. The measurements show a transition region that connects the disordered Ti 2O 3 shell to the perfect rutile core consisting first of four to five monolayers of defective rutile, containing clearly visible Ti interstitialmore » atoms, followed by an ordered reconstruction layer of Ti interstitial atoms. Our data suggest that this reconstructed layer presents a template on which the disordered Ti 2O 3 layers form by interstitial diffusion of Ti ions. In contrast to recent reports that attribute TiO 2 band-gap narrowing to the synergistic action of oxygen vacancies and surface disorder of nonspecific origin, our results point to Ti 2O 3, which is a narrow-band-gap semiconductor. In conclusion, as a stoichiometric compound of the lower oxidation state Ti 3+ it is expected to be a more robust atomic structure than oxygen-deficient TiO 2 for preserving and stabilizing Ti 3+ surface species that are the key to the enhanced photocatalytic activity of black TiO 2.« less

Twin density of aragonite in molluscan shells characterized using X-ray diffraction and transmission electron microscopy

NASA Astrophysics Data System (ADS)

Kogure, Toshihiro; Suzuki, Michio; Kim, Hyejin; Mukai, Hiroki; Checa, Antonio G.; Sasaki, Takenori; Nagasawa, Hiromichi

2014-07-01

{110} twin density in aragonites constituting various microstructures of molluscan shells has been characterized using X-ray diffraction (XRD) and transmission electron microscopy (TEM), to find the factors that determine the density in the shells. Several aragonite crystals of geological origin were also investigated for comparison. The twin density is strongly dependent on the microstructures and species of the shells. The nacreous structure has a very low twin density regardless of the shell classes. On the other hand, the twin density in the crossed-lamellar (CL) structure has large variation among classes or subclasses, which is mainly related to the crystallographic direction of the constituting aragonite fibers. TEM observation suggests two types of twin structures in aragonite crystals with dense {110} twins: rather regulated polysynthetic twins with parallel twin planes, and unregulated polycyclic ones with two or three directions for the twin planes. The former is probably characteristic in the CL structures of specific subclasses of Gastropoda. The latter type is probably related to the crystal boundaries dominated by (hk0) interfaces in the microstructures with preferred orientation of the c-axis, and the twin density is mainly correlated to the crystal size in the microstructures.

Excitons in Core-Shell Nanowires with Polygonal Cross Sections.

PubMed

Sitek, Anna; Urbaneja Torres, Miguel; Torfason, Kristinn; Gudmundsson, Vidar; Bertoni, Andrea; Manolescu, Andrei

2018-04-11

The distinctive prismatic geometry of semiconductor core-shell nanowires leads to complex localization patterns of carriers. Here, we describe the formation of optically active in-gap excitonic states induced by the interplay between localization of carriers in the corners and their mutual Coulomb interaction. To compute the energy spectra and configurations of excitons created in the conductive shell, we use a multielectron numerical approach based on the exact solution of the multiparticle Hamiltonian for electrons in the valence and conduction bands, which includes the Coulomb interaction in a nonperturbative manner. We expose the formation of well-separated quasidegenerate levels, and focus on the implications of the electron localization in the corners or on the sides of triangular, square, and hexagonal cross sections. We obtain excitonic in-gap states associated with symmetrically distributed electrons in the spin singlet configuration. They acquire large contributions due to Coulomb interaction, and thus are shifted to much higher energies than other states corresponding to the conduction electron and the vacancy localized in the same corner. We compare the results of the multielectron method with those of an electron-hole model, and we show that the latter does not reproduce the singlet excitonic states. We also obtain the exciton lifetime and explain selection rules which govern the recombination process.

Spectral and Atomic Physics Analysis of Xenon L-Shell Emission From High Energy Laser Produced Plasmas

NASA Astrophysics Data System (ADS)

Thorn, Daniel; Kemp, G. E.; Widmann, K.; Benjamin, R. D.; May, M. J.; Colvin, J. D.; Barrios, M. A.; Fournier, K. B.; Liedahl, D.; Moore, A. S.; Blue, B. E.

2016-10-01

The spectrum of the L-shell (n =2) radiation in mid to high-Z ions is useful for probing plasma conditions in the multi-keV temperature range. Xenon in particular with its L-shell radiation centered around 4.5 keV is copiously produced from plasmas with electron temperatures in the 5-10 keV range. We report on a series of time-resolved L-shell Xe spectra measured with the NIF X-ray Spectrometer (NXS) in high-energy long-pulse (>10 ns) laser produced plasmas at the National Ignition Facility. The resolving power of the NXS is sufficiently high (E/ ∂E >100) in the 4-5 keV spectral band that the emission from different charge states is observed. An analysis of the time resolved L-shell spectrum of Xe is presented along with spectral modeling by detailed radiation transport and atomic physics from the SCRAM code and comparison with predictions from HYDRA a radiation-hydrodynamics code with inline atomic-physics from CRETIN. This work was performed under the auspices of the U.S. Department of Energy by LLNL under Contract DE-AC52-07NA27344.

Measurement of L-shell transitions in M-shell ions in the laboratory and identification in stellar coronae

DOE PAGES

Lepson, J. K.; Beiersdorfer, P.; Hell, N.; ...

2017-04-04

Based on laboratory data from the Lawrence Livermore EBIT-I electron beam ion trap and calculations using the relativistic multi-reference Møller-Plesset (MRMP) perturbation theory approach, we identify L-shell transitions of M-shell iron ions in emission spectra of the nearby stars Capella and Procyon. In conclusion, these lines are weaker than the well known, prominent lines from Fe XVII. However, they need to be taken into account when modeling the spectra, especially of cool stars.

Photoluminescence and positron annihilation spectroscopic investigation on a H+ irradiated ZnO single crystal

NASA Astrophysics Data System (ADS)

Sarkar, A.; Chakrabarti, Mahuya; Sanyal, D.; Bhowmick, D.; Dechoudhury, S.; Chakrabarti, A.; Rakshit, Tamita; Ray, S. K.

2012-08-01

Low temperature photoluminescence and room temperature positron annihilation spectroscopy have been employed to investigate the defects incorporated by 6 MeV H+ ions in a hydrothermally grown ZnO single crystal. Prior to irradiation, the emission from donor bound excitons is at 3.378 eV (10 K). The irradiation creates an intense and narrow emission at 3.368 eV (10 K). The intensity of this peak is nearly four times that of the dominant near band edge peak of the pristine crystal. The characteristic features of the 3.368 eV emission indicate its origin as a ‘hydrogen at oxygen vacancy’ type defect. The positron annihilation lifetime measurement reveals a single component lifetime spectrum for both the unirradiated (164 ± 1 ps) and irradiated crystal (175 ± 1 ps). It reflects the fact that the positron lifetime and intensity of the new irradiation driven defect species are a little higher compared to those in the unirradiated crystal. However, the estimated defect concentration, even considering the high dynamic defect annihilation rate in ZnO, comes out to be ˜4 × 1017 cm-3 (using SRIM software). This is a very high defect concentration compared to the defect sensitivity of positron annihilation spectroscopy. A probable reason is the partial filling of the incorporated vacancies (positron traps), which in ZnO are zinc vacancies. The positron lifetime of ˜175 ps (in irradiated ZnO) is consistent with recent theoretical calculations for partially hydrogen-filled zinc vacancies in ZnO. Passivation of oxygen vacancies by hydrogen is also reflected in the photoluminescence results. A possible reason for such vacancy filling (at both Zn and O sites) due to irradiation has also been discussed.

Evaluation of aqueous and alcohol-based quaternary ammonium sanitizers for inactivating Salmonella spp., Escherichia coli O157:H7, and Listeria monocytogenes on peanut and pistachio shells.

PubMed

McEgan, Rachel; Danyluk, Michelle D

2015-05-01

This study evaluated the efficacy of aqueous (aQUAT) and isopropyl alcohol-based quaternary ammonium (ipQUAT) sanitizers for reducing Salmonella spp., Escherichia coli O157:H7, or Listeria monocytogenes populations on peanut and pistachio shell pieces. Inoculated nutshells were mixed with QUAT sanitizers, water, or 70% ethanol and enumerated immediately or after incubation at 30 °C for 48 h. None of the treatments had any immediate effect on Salmonella or E. coli O157:H7 populations on the peanut or pistachio shells. L. monocytogenes populations declined immediately on the peanut and pistachio shells treated with aQUAT or ipQUAT. After incubation, Salmonella and E. coli O157:H7 populations increased significantly on the water- or aQUAT-treated peanut and pistachio shells. L. monocytogenes populations also increased significantly on the water- or aQUAT-treated peanut shells, but levels did not change on the water-treated pistachio shells and levels were just above the limit of detection on the aQUAT-treated pistachio shells. After treatment with ipQUAT and 48-h incubation, Salmonella and E. coli O157:H7 populations decreased to or below the limit of detection on both shell types; L. monocytogenes populations remained at or below the limit of detection on both shell types. Copyright © 2014 Elsevier Ltd. All rights reserved.

Exciton in a spherical core/shell nanostructure: Influence of surface ligand

NASA Astrophysics Data System (ADS)

Anitha, B.; Nithiananthi, P.

2018-04-01

Studies on exciton in an inverted type I spherical GaAs/Al0.3Ga0.7As core/shell nanostructure (CSN) are made using variational method. Dielectric constant and effective mass mismatches of the core and shell materials are considered. The effect of core and the shell dimensions on the exciton binding energy (BE) are analyzed for different shell (Rs) and core radii (Rc). It is observed that with the core and the shell inducement, significant change in BE can be achieved. In addition, the influence of ligand enclosureon the BE as a function of shell thickness (ST) is reviewed. The result exhibits that the presence of ligand considerably affects the BE. Further the transmission probability of exciton for various Rc and Rs are reported. The notable changes are compared and examined with and without ligand inclusion.

Annealing effect on microstructural recovery in 316L and A533B

NASA Astrophysics Data System (ADS)

Hashimoto, N.; Goto, S.; Inoue, S.; Suzuki, E.

2017-11-01

An austenitic model alloy (316L) and a low alloy steel (A533B) were exposed to constant or fluctuating temperature after electron irradiation to a cumulative damage level of 1 displacement per atom. 316L model alloy was exposed to LWR operating temperature during electron irradiation, and were exposed to a higher temperature at a high heating and cooling rates. The annealing experiment after irradiation to 316L resulted in the change in irradiation-induced microstructure; both the size and the number density of Frank loop and black dots were decreased, while the volume fraction of void was increased. In the case of A533B, the aging experiment after electron irradiation resulted in the shrinkage or the disappearance of black dots and the growth of dislocation loops. It is suggested that during annealing and/or aging at a high temperature the excess vacancies could be provided and flew into each defect feature, resulting in that interstitial type feature could be diminished, while vacancy type increased in volume fraction if exists.

Neoclassical diffusion at low L-shel

NASA Astrophysics Data System (ADS)

Cunningham, G.; Ripoll, J. F.; Loridan, V.; Schulz, M.

2017-12-01

At very low L-shell, the lifetime of MeV electrons is dominated by pitch-angle scattering due to Coulomb collisions with background neutrals and ions. Walt's evaluation of this lifetime explained Van Allen's observations of the decay of the radiation belts in the early 1960's, for L<1.25 but Imhof et al showed that the apparent lifetime of >500 keV electrons for L=[1.15,1.21] was much greater than predicted by Walt's model when the decay was observed over 3 years rather than just a few months. Imhof et al argued that inward radial diffusion from larger L would be a source of electrons at low L, thus increasing the apparent lifetimes that were observed, but did not speculate on the cause of such diffusion across L. Newkirk and Walt estimated the radial diffusion coefficient that would be needed to explain the apparent lifetimes observed by Imhof et al. The radial diffusion coefficients they inferred dropped sharply as L increased, contrasting with the radial diffusion coefficients that had been recently developed by Falthammar [1965], which increase as a power law in L. Newkirk and Walt noted Falthammar's speculation that pitch-angle diffusion caused by Coulomb scattering, when coupled to drift-shell splitting associated with non-dipolar terms in the near-Earth geomagnetic field, might be the physical basis for the radial diffusion, but they did not attempt to quantify this effect. Roederer et al demonstrated that Coulomb scattering plus drift-shell splitting could explain the Newkirk and Walt results but they did not perform an exhaustive study. In the field of magnetically confined fusion, the movement of charged particles to different drift-shells caused by the combination of collisions and drift-shell splitting is labeled `neoclassical' diffusion. By contrast, `anomalous' diffusion results from pitch-angle diffusion caused by wave turbulence combined with drift-shell splitting, an effect recently studied by O'Brien in the outer radiation belt. We have constructed a comprehensive model of neoclassical diffusion at low L as a function of pitch-angle, energy and L-shell, and find that we quantitatively reproduce the results in Newkirk and Walt and Imhof et al, conclusively demonstrating that neoclassical diffusion is an important effect for energetic electrons in the deep inner belt.

Combination of rice husk and coconut shell activated adsorbent to adsorb Pb(II) ionic metal and it’s analysis using solid-phase spectrophotometry (sps)

NASA Astrophysics Data System (ADS)

Rohmah, D. N.; Saputro, S.; Masykuri, M.; Mahardiani, L.

2018-03-01

The purpose of this research was to know the effect and determine the mass comparation which most effective combination between rice husk and coconut shell activated adsorbent to adsorb Pb (II) ion using SPS method. This research used experimental method. Technique to collecting this datas of this research is carried out by several stages, which are: (1) carbonization of rice husk and coconut shell adsorbent using muffle furnace at a temperature of 350°C for an hour; (2) activation of the rice husk and coconut shell adsorbent using NaOH 1N and ZnCl2 15% activator; (3) contacting the adsorbent of rice husk and coconut shell activated adsorbent with liquid waste simulation of Pb(II) using variation comparison of rice husk and coconut shell, 1:0; 0:1; 1:1; 2:1; 1:2; (4) analysis of Pb(II) using Solid-Phase Spectrophotometry (SPS); (5) characterization of combination rice husk and coconut shell activated adsorbent using FTIR. The result of this research show that the combined effect of combination rice husk and coconut shell activated adsorbent can increase the ability of the adsorbent to absorb Pb(II) ion then the optimum adsorbent mass ratio required for absorbing 20 mL of Pb(II) ion with a concentration of 49.99 µg/L is a ratio of 2:1 with the absorption level of 97,06%Solid-Phase Spectrophotometry (SPS) is an effective method in the level of µg/L, be marked with the Limit of Detection (LOD) of 0.03 µg/L.

Dynamics of magnetic shells and information loss problem

NASA Astrophysics Data System (ADS)

Lee, Bum-Hoon; Lee, Wonwoo; Yeom, Dong-han

2015-07-01

We investigate dynamics of magnetic thin-shells in three dimensional anti-de Sitter background. Because of the magnetic field, an oscillatory solution is possible. This oscillating shell can tunnel to a collapsing shell or a bouncing shell, where both tunnelings induce an event horizon and a singularity. In the entire path integral, via the oscillating solution, there is a nonzero probability to maintain a trivial causal structure without a singularity. Therefore, due to the path integral, the entire wave function can conserve information. Since an oscillating shell can tunnel after a number of oscillations, in the end, it will allow an infinite number of different branchings to classical histories. This system can be a good model of the effective loss of information, where information is conserved by a solution that is originated from gauge fields.

Nuclear Data Evaluation for Mass Chain A=217:Odd-Proton Nuclei

PubMed Central

Nafee, Sherif S.; Shaheen, Salem A.; Al-Ramady, Amir M.

2016-01-01

Thallium (Tl81217), Bismuth (Bi83217), Astatine (At85217), Francium (Fr87217), Actinium (Ac89217) and Protactinium (Pa91217) are of odd-proton numbers among the mass chain A = 217. In the present work, the half-lives and gamma transitions for the six nuclei have been studied and adopted based on the recently published interactions or unevaluated nuclear data sets XUNDL. The Q (α) has been updated based on the recent published work of the Atomic Mass Evaluation AME2012 as well. Moreover, the total conversion electrons as well as the K-Shell to L-Shell, L-Shell to M-Shell and L-Shell to N-Shell Conversion Electron Ratios have been calculated using BrIcc code v2.3. An updated skeleton decay scheme for each of the above nuclei has been presented here. The decay hindrance factors (HF) calculated using the ALPHAD program, which is available from Brookhaven National Laboratory’s website, have been calculated for the α- decay data sets for 221Fr-, 221Ac- and 221Pa- α-decays. PMID:26761207

Estimation of vector static magnetic field by a nitrogen-vacancy center with a single first-shell 13C nuclear (NV–13C) spin in diamond

NASA Astrophysics Data System (ADS)

Jiang, Feng-Jian; Ye, Jian-Feng; Jiao, Zheng; Huang, Zhi-Yong; Lv, Hai-Jiang

2018-05-01

We suggest an experimental scheme that a single nitrogen-vacancy (NV) center coupled to a nearest neighbor 13C nucleus as a sensor in diamond can be used to detect a static vector magnetic field. By means of optical detection magnetic resonance (ODMR) technique, both the strength and the direction of the vector field could be determined by relevant resonance frequencies of continuous wave (CW) and Ramsey spectrums. In addition, we give a method that determines the unique one of eight possible hyperfine tensors for an (NV–13C) system. Finally, we propose an unambiguous method to exclude the symmetrical solution from eight possible vector fields, which correspond to nearly identical resonance frequencies due to their mirror symmetry about 14N–Vacancy–13C (14N–V–13C) plane. Protect supported by the National Natural Science Foundation of China (Grant Nos. 11305074, 11135002, and 11275083), the Key Program of the Education Department Outstanding Youth Foundation of Anhui Province, China (Grant No. gxyqZD2017080), and the Natural Science Foundation of Anhui Province, China (Grant No. KJHS2015B09).

Encapsulation of Bacterial Spores in Nanoorganized Polyelectrolyte Shells (Postprint)

DTIC Science & Technology

2009-05-27

Nanoorganized polyelectrolyte shells have already found applica- tions in drug microencapsulation as a result of the tunable properties of the...polyelectrolyte shell.19 The same LbL technology allowed the introduction of enzymatic activity onto yeast cell shells in order to promote the conversion of

Transmission electron microscopy and ab initio calculations to relate interfacial intermixing and the magnetism of core/shell nanoparticles

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

Chi, C.-C.; Hsiao, C.-H.; Ouyang, Chuenhou, E-mail: houyang@mx.nthu.edu.tw

2015-05-07

Significant efforts towards understanding bi-magnetic core-shell nanoparticles are underway currently as they provide a pathway towards properties unavailable with single-phased systems. Recently, we have demonstrated that the magnetism of γ-Fe2O3/CoO core-shell nanoparticles, in particular, at high temperatures, originates essentially from an interfacial doped iron-oxide layer that is formed by the migration of Co{sup 2+} from the CoO shell into the surface layers of the γ-Fe2O3 core [Skoropata et al., Phys. Rev. B 89, 024410 (2014)]. To examine directly the nature of the intermixed layer, we have used high-resolution transmission electron microscopy (HRTEM) and first-principles calculations to examine the impact ofmore » the core-shell intermixing at the atomic level. By analyzing the HRTEM images and energy dispersive spectra, the level and nature of intermixing was confirmed, mainly as doping of Co into the octahedral site vacancies of γ-Fe2O3. The average Co doping depths for different processing temperatures (150 °C and 235 °C) were 0.56 nm and 0.78 nm (determined to within 5% through simulation), respectively, establishing that the amount of core-shell intermixing can be altered purposefully with an appropriate change in synthesis conditions. Through first-principles calculations, we find that the intermixing phase of γ-Fe2O3 with Co doping is ferromagnetic, with even higher magnetization as compared to that of pure γ-Fe2O3. In addition, we show that Co doping into different octahedral sites can cause different magnetizations. This was reflected in a change in overall nanoparticle magnetization, where we observed a 25% reduction in magnetization for the 235 °C versus the 150 °C sample, despite a thicker intermixed layer.« less

Hiding the interior region of core-shell nanoparticles with quantum invisible cloaks

NASA Astrophysics Data System (ADS)

Lee, Jeng Yi; Lee, Ray-Kuang

2014-04-01

Based on the scattering cancellation, we provide a method not only making a nanoparticle nearly invisible, but also hiding its interior region from the outside probing matter wave. By applying the interplay among the nodal points of partial waves along with the concept of streamline in fluid dynamics for probability flux, a quantum invisible cloak to the electron transport in a host semiconductor is demonstrated by simultaneously guiding the probability flux outside a hidden region and keeping the total scattering cross section negligible. As the probability flux vanishes in the interior region, one can embed any materials inside a multiple core-shell nanoparticle without affecting physical observables from the outside. Our results reveal the possibility to design a protection shield layer for fragile interior parts from the impact of transport electrons.

Theoretical and experimental determination of K - and L -shell x-ray relaxation parameters in Ni

NASA Astrophysics Data System (ADS)

Guerra, M.; Sampaio, J. M.; Parente, F.; Indelicato, P.; Hönicke, P.; Müller, M.; Beckhoff, B.; Marques, J. P.; Santos, J. P.

2018-04-01

Fluorescence yields (FY) for the Ni K and L shells were determined by a theoretical and an experimental group within the framework of the International Initiative on X-ray Fundamental Parameters (FPs) collaboration. Coster-Kronig (CK) parameters were also measured for the L shell of Ni. Theoretical calculations of the same parameters were performed using the Dirac-Fock method, including relativistic and QED corrections. The experimental values for the FY and CK were determined at the PTB laboratory in the synchrotron radiation facility BESSY II, Berlin, Germany, and are compared to the corresponding calculated values.

Neoclassical Diffusion of Radiation-Belt Electrons Across Very Low L -shells

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

Cunningham, Gregory S.; Loridan, Vivien; Ripoll, Jean-Francois

In the presence of drift-shell splitting intrinsic to the IGRF magnetic field model, pitch-angle scattering from Coulomb collisions experienced by radiation-belt electrons in the upper atmosphere and ionosphere produces extra radial diffusion, a form of neoclassical diffusion. The strength of the neoclassical radial diffusion at L < 1.2 exceeds that expected there from radial-diffusion mechanisms traditionally considered, and decreases with increasing L-shell. In this study we construct a numerical model for this coupled (radial and pitch-angle) collisional diffusion process and apply it to simulate raw count-rate data observed aboard the Gemini spacecraft for several years after the 1962 Starfish nuclearmore » detonation. The data show apparent lifetimes 10-100 times as long as would have been expected from collisional pitch-angle diffusion and Coulomb drag alone. Our model reproduces apparent lifetimes for >0.5-MeV electrons in the region 1.14 < L < 1.26 to within a factor of two (comparable to the uncertainty quoted for the observations). We conclude that neoclassical radial diffusion (resulting from drift-shell splitting intrinsic to IGRF's azimuthal asymmetries) mitigates the decay expected from collisional pitch-angle diffusion and inelastic energy loss alone and thus contributes importantly to the long apparent lifetimes observed at these low L-shells.« less

Neoclassical Diffusion of Radiation-Belt Electrons Across Very Low L -shells

DOE PAGES

Cunningham, Gregory S.; Loridan, Vivien; Ripoll, Jean-Francois; ...

2018-03-30

In the presence of drift-shell splitting intrinsic to the IGRF magnetic field model, pitch-angle scattering from Coulomb collisions experienced by radiation-belt electrons in the upper atmosphere and ionosphere produces extra radial diffusion, a form of neoclassical diffusion. The strength of the neoclassical radial diffusion at L < 1.2 exceeds that expected there from radial-diffusion mechanisms traditionally considered, and decreases with increasing L-shell. In this study we construct a numerical model for this coupled (radial and pitch-angle) collisional diffusion process and apply it to simulate raw count-rate data observed aboard the Gemini spacecraft for several years after the 1962 Starfish nuclearmore » detonation. The data show apparent lifetimes 10-100 times as long as would have been expected from collisional pitch-angle diffusion and Coulomb drag alone. Our model reproduces apparent lifetimes for >0.5-MeV electrons in the region 1.14 < L < 1.26 to within a factor of two (comparable to the uncertainty quoted for the observations). We conclude that neoclassical radial diffusion (resulting from drift-shell splitting intrinsic to IGRF's azimuthal asymmetries) mitigates the decay expected from collisional pitch-angle diffusion and inelastic energy loss alone and thus contributes importantly to the long apparent lifetimes observed at these low L-shells.« less

Neoclassical Diffusion of Radiation-Belt Electrons Across Very Low L-Shells

NASA Astrophysics Data System (ADS)

Cunningham, Gregory S.; Loridan, Vivien; Ripoll, Jean-François; Schulz, Michael

2018-04-01

In the presence of drift-shell splitting intrinsic to the International Geomagnetic Reference Field magnetic field model, pitch angle scattering from Coulomb collisions experienced by radiation-belt electrons in the upper atmosphere and ionosphere produces extra radial diffusion, a form of neoclassical diffusion. The strength of the neoclassical radial diffusion at L < 1.2 exceeds that expected there from radial-diffusion mechanisms traditionally considered and decreases with increasing L-shell. In this work we construct a numerical model for this coupled (radial and pitch angle) collisional diffusion process and apply it to simulate raw count-rate data observed aboard the Gemini spacecraft for several years after the 1962 Starfish nuclear detonation. The data show apparent lifetimes 10-100 times as long as would have been expected from collisional pitch angle diffusion and Coulomb drag alone. Our model reproduces apparent lifetimes for >0.5-MeV electrons in the region 1.14 < L < 1.26 to within a factor of 2 (comparable to the uncertainty quoted for the observations). We conclude that neoclassical radial diffusion (resulting from drift-shell splitting intrinsic to International Geomagnetic Reference Field's azimuthal asymmetries) mitigates the decay expected from collisional pitch angle diffusion and inelastic energy loss alone and thus contributes importantly to the long apparent lifetimes observed at these low L-shells.

Oxygen-related vacancy-type defects in ion-implanted silicon

NASA Astrophysics Data System (ADS)

Pi, X. D.; Burrows, C. P.; Coleman, P. G.; Gwilliam, R. M.; Sealy, B. J.

2003-10-01

Czochralski silicon samples implanted to a dose of 5 × 1015 cm-2 with 0.5 MeV O and to a dose of 1016 cm-2 with 1 MeV Si, respectively, have been studied by positron annihilation spectroscopy. The evolution of divacancies to vacancy (V)-O complexes is out-competed by V-interstitial (I) recombination at 400 and 500 °C in the Si- and O-implanted samples; the higher oxygen concentration makes the latter temperature higher. The defective region shrinks as the annealing temperature increases as interstitials are injected from the end of the implantation range (Rp). VmOn (m> n) are formed in the shallow region most effectively at 700 °C for both Si and O implantation. VxOy (x< y) are produced near Rp by the annealing. At 800 °C, implanted Si ions diffuse and reduce m and implanted O ions diffuse and increase n in VmOn. All oxygen-related vacancy-type defects appear to begin to dissociate at 950 °C, with the probable formation of oxygen clusters. At 1100 °C, oxygen precipitates appear to form just before Rp in O-implanted silicon.

Synthesis and characterization of Fe-Ti-Sb intermetallic compounds: Discovery of a new Slater-Pauling phase

NASA Astrophysics Data System (ADS)

Naghibolashrafi, N.; Keshavarz, S.; Hegde, Vinay I.; Gupta, A.; Butler, W. H.; Romero, J.; Munira, K.; LeClair, P.; Mazumdar, D.; Ma, J.; Ghosh, A. W.; Wolverton, C.

2016-03-01

Compounds of Fe, Ti, and Sb were prepared using arc melting and vacuum annealing. Fe2TiSb , expected to be a full Heusler compound crystallizing in the L 21 structure, was shown by XRD and SEM analyses to be composed of weakly magnetic grains of nominal composition Fe1.5TiSb with iron-rich precipitates in the grain boundaries. FeTiSb, a composition consistent with the formation of a half-Heusler compound, also decomposed into Fe1.5TiSb grains with Ti-Sb rich precipitates and was weakly magnetic. The dominant Fe1.5TiSb phase appears to crystallize in a defective L 21 -like structure with iron vacancies. Based on this finding, a first-principles DFT-based binary cluster expansion of Fe and vacancies on the Fe sublattice of the L 21 structure was performed. Using the cluster expansion, we computationally scanned >103 configurations and predict a novel, stable, nonmagnetic semiconductor phase to be the zero-temperature ground state. This new structure is an ordered arrangement of Fe and vacancies, belonging to the space group R 3 m , with composition Fe1.5TiSb , i.e., between the full- and half-Heusler compositions. This phase can be visualized as alternate layers of L 21 phase Fe2TiSb and C 1b phase FeTiSb, with layering along the [111] direction of the original cubic phases. Our experimental results on annealed samples support this predicted ground-state composition, but further work is required to confirm that the R 3 m structure is the ground state.

The ESR age of Portlandia arctica shells from glacial deposits of Central Latvia . an answer to a controversy on the age and genesis of their enclosing sediments

NASA Astrophysics Data System (ADS)

Molodkov, Anatoly; Dreimanis, Aleksis; ĀBoltiņš, Ojars; Raukas, Anto

The occurrence of Portlandia arctica shells in glacigenic sediments of Central Latvia had created a controversy in many publications about (1) their age ranging from the Holsteinian to the Late Weichselian and (2) the genesis of their enclosing sediments: glacial, glaciomarine or marine. Our reinvestigation of the main object of controversy, the Lı¯čupe site, leads to a conclusion that the sedimentary package of diamictons, clays and sands containing Portlandia arctica shells and marine microfossils is a large glacial raft that had been transported and deposited by the Riga lobe during the Weichselian. The electron spin resonance (ESR) ages on five sets of Portlandia arctica shells from the Lı¯čupe and Daugmales Tomēni sites range from 86.0±6.8 to 105.0±9.2 ka BP. These ESR age determinations and the cool climate indicators of the associated microflora and microfauna suggest that their source sediments, probably in the Gulf of Riga, are marine clays of Early Weichselian age, probably correlative to the Brørup Interstadial. In Central Latvia Portlandia arctica shells and their enclosing clay occur resedimented or translocated in glacial deposits during Weichselian glacial advances.

Estimating factors influencing the detection probability of semiaquatic freshwater snails using quadrat survey methods

USGS Publications Warehouse

Roesler, Elizabeth L.; Grabowski, Timothy B.

2018-01-01

Developing effective monitoring methods for elusive, rare, or patchily distributed species requires extra considerations, such as imperfect detection. Although detection is frequently modeled, the opportunity to assess it empirically is rare, particularly for imperiled species. We used Pecos assiminea (Assiminea pecos), an endangered semiaquatic snail, as a case study to test detection and accuracy issues surrounding quadrat searches. Quadrats (9 × 20 cm; n = 12) were placed in suitable Pecos assiminea habitat and randomly assigned a treatment, defined as the number of empty snail shells (0, 3, 6, or 9). Ten observers rotated through each quadrat, conducting 5-min visual searches for shells. The probability of detecting a shell when present was 67.4 ± 3.0%, but it decreased with the increasing litter depth and fewer number of shells present. The mean (± SE) observer accuracy was 25.5 ± 4.3%. Accuracy was positively correlated to the number of shells in the quadrat and negatively correlated to the number of times a quadrat was searched. The results indicate quadrat surveys likely underrepresent true abundance, but accurately determine the presence or absence. Understanding detection and accuracy of elusive, rare, or imperiled species improves density estimates and aids in monitoring and conservation efforts.

Thermal state of an ice shell on Europa

NASA Technical Reports Server (NTRS)

Ojakangas, Gregory W.; Stevenson, David J.

1989-01-01

The thickness of the ice shell presently hypothesized for Europa, which is decoupled from a silicate core by a liquid water layer, is calculated as a function of colatitude and longitude under suitable assumptions for two plausible ice rheology behaviors: that of Maxwell type, and that of generalized flow-law rheology. Due to the dissipation rate's pronounced temperature dependence, virtually all tidal dissipation is found to concentrate in the lowest few kilometers of the shell. While for some parameter choices an insulating regolith that raises the near-surface temperature by more than a few tens of degrees C may stabilize the shell against polar wander, a modest regolith may enhance the probability of such wander's occurrence through the reduction of the shell's retarding friction.

Experimental evaluation of fluorescent (alizarin red S and calcein) and clip-tag markers for stock assessment of ark shell, Anadara broughtonii

NASA Astrophysics Data System (ADS)

Zhou, Shanshan; Zhang, Xiumei; Li, Wentao; Li, Long; Cai, Xingyuan

2017-03-01

Release programs to enhance stocks of ark shell ( Anadara broughtonii) have been undertaken in a number of Asian countries, but their effectiveness has rarely been investigated owing to a lack of marking methods. The quality and longevity of fluorescent markers, alizarin red S (ARS) and calcein (CAL) (200 and 300 mg/L), as well as clip tags, were tested on juvenile A. broughtonii. No significant differences in survival or shell growth were observed in juveniles stained with either of the two fluorochromes after a 160-day culture period, but the retention rate was 100% after 1 year. Fluorescent marks (≥grade 3) were observable microscopically in juveniles stained with the two fluorochromes, and some fluorescent marks (≥grade 4) were visible with the naked eye after 1 year. ARS-marked shells were brighter than those marked with CAL, and shells marked with 300 mg/L of the fluorochromes were easier to detect than those marked with 200 mg/L. Clip tags were incorporated into the shell as the bivalve grew, and the retention rate was 64.25% after 160 days. Significant differences in survival (at 30 days), shell length (at 60, 90, 120, and 160 days), and wet weight (at 90, 120, and 160 days) were observed between the clip-tagged and control groups (all P< 0.05), indicating that the tags may have passive effects on the ark shell. The results suggest that both ARS and CAL are suitable to mark A. broughtonii for large-scale restocking programs, and that optimal marking quality was achieved with 300 mg/L ARS. Lighter and smaller clip tags need to be developed to reduce injury and increase survival rate of clams.

Achillea millefolium L. extract mediated green synthesis of waste peach kernel shell supported silver nanoparticles: Application of the nanoparticles for catalytic reduction of a variety of dyes in water.

PubMed

Khodadadi, Bahar; Bordbar, Maryam; Nasrollahzadeh, Mahmoud

2017-05-01

In this paper, silver nanoparticles (Ag NPs) are synthesized using Achillea millefolium L. extract as reducing and stabilizing agents and peach kernel shell as an environmentally benign support. FT-IR spectroscopy, UV-Vis spectroscopy, X-ray Diffraction (XRD), Field emission scanning electron microscopy (FESEM), Energy Dispersive X-ray Spectroscopy (EDS), Thermo gravimetric-differential thermal analysis (TG-DTA) and Transmission Electron Microscopy (TEM) were used to characterize peach kernel shell, Ag NPs, and Ag NPs/peach kernel shell. The catalytic activity of the Ag NPs/peach kernel shell was investigated for the reduction of 4-nitrophenol (4-NP), Methyl Orange (MO), and Methylene Blue (MB) at room temperature. Ag NPs/peach kernel shell was found to be a highly active catalyst. In addition, Ag NPs/peach kernel shell can be recovered and reused several times with no significant loss of its catalytic activity. Copyright © 2017 Elsevier Inc. All rights reserved.

49 CFR 179.220-25 - Stamping.

Code of Federal Regulations, 2010 CFR

2010-10-01

...: Material ASTM A240-316L. Shell thickness Shell 0.167 in. Head thickness Head 0.150 in. Tank builders initials ABC. Date of original test 00-0000. Outer shell: Material ASTM A285-C. Tank builders initials WYZ...

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

McCurdy, C. W.; Rescigno, T. N.; Trevisan, C. S.

A dramatic symmetry breaking in K-shell photoionization of the CF 4 molecule in which a core-hole vacancy is created in one of four equivalent fluorine atoms is displayed in the molecular frame angular distribution of the photoelectrons. In observing the photoejected electron in coincidence with an F + atomic ion after Auger decay we see how selecting the dissociation path where the core hole was localized was almost exclusively on that atom. A combination of measurements and ab initio calculations of the photoelectron angular distribution in the frame of the recoiling CF 3 + and F + atoms elucidates themore » underlying physics that derives from the Ne-like valence structure of the F(1s -1) core-excited atom.« less

Prospects for higher spatial resolution quantitative X-ray analysis using transition element L-lines

NASA Astrophysics Data System (ADS)

Statham, P.; Holland, J.

2014-03-01

Lowering electron beam kV reduces electron scattering and improves spatial resolution of X-ray analysis. However, a previous round robin analysis of steels at 5 - 6 kV using Lα-lines for the first row transition elements gave poor accuracies. Our experiments on SS63 steel using Lα-lines show similar biases in Cr and Ni that cannot be corrected with changes to self-absorption coefficients or carbon coating. The inaccuracy may be caused by different probabilities for emission and anomalous self-absorption for the La-line between specimen and pure element standard. Analysis using Ll(L3-M1)-lines gives more accurate results for SS63 plausibly because the M1-shell is not so vulnerable to the atomic environment as the unfilled M4,5-shell. However, Ll-intensities are very weak and WDS analysis may be impractical for some applications. EDS with large area SDD offers orders of magnitude faster analysis and achieves similar results to WDS analysis with Lα-lines but poorer energy resolution precludes the use of Ll-lines in most situations. EDS analysis of K-lines at low overvoltage is an alternative strategy for improving spatial resolution that could give higher accuracy. The trade-off between low kV versus low overvoltage is explored in terms of sensitivity for element detection for different elements.

Comparative analysis of pleurodiran and cryptodiran turtle embryos depicts the molecular ground pattern of the turtle carapacial ridge.

PubMed

Pascual-Anaya, Juan; Hirasawa, Tatsuya; Sato, Iori; Kuraku, Shigehiro; Kuratani, Shigeru

2014-01-01

The turtle shell is a wonderful example of a genuine morphological novelty, since it has no counterpart in any other extant vertebrate lineages. The evolutionary origin of the shell is a question that has fascinated evolutionary biologists for over two centuries and it still remains a mystery. One of the turtle innovations associated with the shell is the carapacial ridge (CR), a bulge that appears at both sides of the dorsal lateral trunk of the turtle embryo and that probably controls the formation of the carapace, the dorsal moiety of the shell. Although from the beginning of this century modern genetic techniques have been applied to resolve the evolutionary developmental origin of the CR, the use of different models with, in principle, dissimilar results has hampered the establishment of a common mechanism for the origin of the shell. Although modern turtles are divided into two major groups, Cryptodira (or hidden-necked turtles) and Pleurodira (or side-necked turtles), molecular developmental studies have been carried out mostly using cryptodiran models. In this study, we revisit the past data obtained from cryptodiran turtles in order to reconcile the different results. We also analyze the histological anatomy and the expression pattern of main CR factors in a pleurodiran turtle, the red-bellied short-necked turtle Emydura subglobosa. We suggest that the turtle shell probably originated concomitantly with the co-option of the canonical Wnt signaling pathway into the CR in the last common ancestor of the turtle.

Multicompartmental Microcapsules from Star Copolymer Micelles

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

Choi, Ikjun; Malak, Sidney T.; Xu, Weinan

2013-02-26

We present the layer-by-layer (LbL) assembly of amphiphilic heteroarm pH-sensitive star-shaped polystyrene-poly(2-pyridine) (PSnP2VPn) block copolymers to fabricate porous and multicompartmental microcapsules. Pyridine-containing star molecules forming a hydrophobic core/hydrophilic corona unimolecular micelle in acidic solution (pH 3) were alternately deposited with oppositely charged linear sulfonated polystyrene (PSS), yielding microcapsules with LbL shells containing hydrophobic micelles. The surface morphology and internal nanopore structure of the hollow microcapsules were comparatively investigated for shells formed from star polymers with a different numbers of arms (9 versus 22) and varied shell thickness (5, 8, and 11 bilayers). The successful integration of star unimers into themore » LbL shells was demonstrated by probing their buildup, surface segregation behavior, and porosity. The larger arm star copolymer (22 arms) with stretched conformation showed a higher increment in shell thickness due to the effective ionic complexation whereas a compact, uniform grainy morphology was observed regardless of the number of deposition cycles and arm numbers. Small-angle neutron scattering (SANS) revealed that microcapsules with hydrophobic domains showed different fractal properties depending upon the number of bilayers with a surface fractal morphology observed for the thinnest shells and a mass fractal morphology for the completed shells formed with the larger number of bilayers. Moreover, SANS provides support for the presence of relatively large pores (about 25 nm across) for the thinnest shells as suggested from permeability experiments. The formation of robust microcapsules with nanoporous shells composed of a hydrophilic polyelectrolyte with a densely packed hydrophobic core based on star amphiphiles represents an intriguing and novel case of compartmentalized microcapsules with an ability to simultaneously store different hydrophilic, charged, and hydrophobic components within shells.« less

EFFECTS OF A DEEP MIXED SHELL ON SOLAR g-MODES, p-MODES, AND NEUTRINO FLUX

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

Wolff, Charles L.

2009-08-10

A mixed-shell model that reflects g-modes away from the Sun's center is developed further by calibrating its parameters and evaluating a mixing mechanism: buoyancy. The shell roughly doubles g-mode oscillation periods and would explain why there is no definitive detection of their periods. But the shell has only minor effects on most p-modes. The model provides a mechanism for causing short-term fluctuations in neutrino flux and makes plausible the correlations between this flux and solar activity levels. Relations are derived for a shell heated asymmetrically by transient increases in nuclear burning in small 'hot spots'. The size of these spotsmore » and the timing of a heating event are governed by sets(l) of standing asymptotic g-modes, coupled by a maximal principle that greatly enhances their excitation and concentrates power toward the equator, assisting the detection of higher-l sets. Signals from all sets, except one, in the range 2 {<=} l {<=} 8 are identified by difference periods between consecutive radial states using the method of Garcia et al. and reinterpreting their latest spectrum. This confirms two detections of sets in a similar range of l by their rotation rates. The mean radius of shell mixing is r{sub m} = 0.16 R{sub sun}, which improves an earlier independent estimate of 0.18 by the author. The shell may cause the unexplained dip in measured sound speed at its location. Another sound speed error, centered near 0.67 R{sub sun}, and reversing flows in the same place with a period originally near 1.3 yr suggest that the g-modes are depositing there about 3% of the solar luminosity. That implies the shell at r{sub m} is receiving a similar magnitude of power, which would be enough energy to mix the corresponding shell in a standard solar model in <<10{sup 7} yr.« less

Shell stability and conditions analyzed using a new method of extracting shell areal density maps from spectrally resolved images of direct-drive inertial confinement fusion implosions

DOE PAGES

Johns, H. M.; Mancini, R. C.; Nagayama, T.; ...

2016-01-25

In warm target direct-drive inertial confinement fusion implosion experiments performed at the OMEGA laser facility, plastic micro-balloons doped with a titanium tracer layer in the shell and filled with deuterium gas were imploded using a low-adiabat shaped laser pulse. Continuum radiation emitted in the core is transmitted through the tracer layer and the resulting spectrum recorded with a gated multi-monochromatic x-ray imager (MMI). Titanium K-shell line absorption spectra observed in the data are due to transitions in L-shell titanium ions driven by the backlighting continuum. The MMI data consist of an array of spectrally resolved images of the implosion. Thesemore » 2-D space-resolved titanium spectral features constrain the plasma conditions and areal density of the titanium doped region of the shell. The MMI data were processed to obtain narrow-band images and space resolved spectra of titanium spectral features. Shell areal density maps, ρL(x,y), extracted using a new method using both narrow-band images and space resolved spectra are confirmed to be consistent within uncertainties. We report plasma conditions in the titanium-doped region of electron temperature (Te) = 400 ± 28 eV, electron number density (N e) = 8.5 × 10 24 ± 2.5 × 10 24 cm –3, and average areal density = 86 ± 7 mg/cm 2. Fourier analysis of areal density maps reveals shell modulations caused by hydrodynamic instability growth near the fuel-shell interface in the deceleration phase. We observe significant structure in modes l = 2–9, dominated by l = 2. We extract a target breakup fraction of 7.1 ± 1.5% from our Fourier analysis. Furthermore, a new method for estimating mix width is evaluated against existing literature and our target breakup fraction. We estimate a mix width of 10.5 ±1 μm.« less

Conversion of shrimp shell by using Serratia sp. TKU017 fermentation for the production of enzymes and antioxidants.

PubMed

Wang, San-Lang; Li, Jeng-Yu; Liang, Tzu-Wen; Hsieh, Jia-Lin; Tseng, Wan-Nine

2010-01-01

A chitinase (CHT), and a protease (PRO) were purified from the culture supernatant of Serratia sp. TKU017 with shrimp shell as the sole carbon/nitrogen source. The molecular masses of CHT and PRO determined by SDS-PAGE were approximately 65 kDa and 53 kDa, respectively. CHT was inhibited by Mn2+, Cu2+ and PRO was inhibited by most tested divalent metals, EDTA. The optimum pH, optimum temperature, pH stability, and thermal stability of CHT and PRO were (pH 5, 50 degrees , pH 5 degrees ) and (pH 9, 40 degrees , pH 5 degrees ), respectively. PRO retained 95% of its protease activity in the presence of 0.5 mM SDS. The result demonstrates that PRO is SDS-resistant protease and probably has a rigid structure. The 4th day supernatant showed the strongest antioxidant activity (70%, DPPH scavenging ability) and the highest total phenolic content (196+/-6.2 microng of gallic acid equival/mL). Significant associations between the antioxidant potency and the total phenolic content, as well as between the antioxidant potency and free amino groups, were found for the supernatant. With this method, we have shown that shrimp shell wastes can be utilized and it's effective in the production of enzymes and antioxidants, facilitating its potential use in industrial applications and functional foods.

Investigation of intrinsic defect magnetic properties in wurtzite ZnO materials

NASA Astrophysics Data System (ADS)

Fedorov, A. S.; Visotin, M. A.; Kholtobina, A. S.; Kuzubov, A. A.; Mikhaleva, N. S.; Hsu, Hua Shu

2017-10-01

Theoretical and experimental investigations of the ferromagnetism induced by intrinsic defects inside wurtzite zinc oxide structures are performed using magnetic field-dependent circular dichroism (MCD-H), direct magnetization measurement (M-H) by superconducting quantum interference device (SQUID) as well as by generalized gradient density functional theory (GGA-DFT). To investigate localized magnetic moments of bulk material intrinsic defects - vacancies, interstitial atoms and Frenkel defects, various-size periodic supercells are calculated. It is shown that oxygen interstitial atoms (Oi) or zinc vacancies (Znv) generate magnetic moments of 1,98 и 1,26 μB respectively, however, the magnitudes are significantly reduced when the distance between defects increases. At the same time, the magnetic moments of oxygen Frenkel defects are large ( 1.5-1.8 μB) and do not depend on the distance between the defects. It is shown that the origin of the induced ferromagnetism in bulk ZnO is the extra spin density on the oxygen atoms nearest to the defect. Also dependence of the magnetization of ZnO (10 1 ̅ 0) and (0001) thin films on the positions of Oi and Znv in subsurface layers were investigated and it is shown that the magnetic moments of both defects are significantly different from the values inside bulk material. In order to check theoretical results regarding the defect induced ferromagnetism in ZnO, two thin films doped by carbon (C) and having Zn interstitials and oxygen vacancies were prepared and annealed in vacuum and air, respectively. According to the MCD-H and M-H measurements, the film, which was annealed in air, exhibits a ferromagnetic behavior, while the other does not. One can assume annealing of ZnO in vacuum should create oxygen vacancies or Zn interstitial atoms. At that annealing of the second C:ZnO film in air leads to essential magnetization, probably by annihilation of oxygen vacancies, formation of interstitial oxygen atoms or zinc vacancies. Thus, our experimental results confirm our theoretical conclusions that ZnO magnetization origin are Oi or Znv defects.

Neon in ultrashort and intense x-rays from free electron lasers

NASA Astrophysics Data System (ADS)

Buth, Christian; Beerwerth, Randolf; Obaid, Razib; Berrah, Nora; Cederbaum, Lorenz S.; Fritzsche, Stephan

2018-03-01

We theoretically examine neon atoms in ultrashort and intense x-rays from free electron lasers and compare our results with data from experiments conducted at the Linac Coherent Light Source. For this purpose, we treat in detail the electronic structure in all possible nonrelativistic cationic configurations using a relativistic multiconfiguration approach. The interaction with the x-rays is described in rate-equation approximation. To understand the mechanisms of the interaction, a path analysis is devised which allows us to investigate what sequences of photoionization and decay processes lead to a specific configuration and with what probability. Thereby, we uncover a connection to the mathematics of graph theory and formal languages. In detail, we study the ion yields and find that plain rate equations do not provide a satisfactory description. We need to extend the rate equations for neon to incorporate double Auger decay of a K-shell vacancy and photoionization shake off for neutral neon. Shake off is included for valence and core ionization; the former has hitherto been overlooked but has important consequences for the ion yields from an x-ray energy below the core ionization threshold. Furthermore, we predict the photon yields from XUV and x-ray fluorescence these allow one insights into the configurations populated by the interaction with the x-rays. Finally, we discover that inaccuracies in those Auger decay widths employed in previous studies have only a minor influence on ion and photon yields.

78 FR 41792 - Combined Notice of Filings #1

Federal Register 2010, 2011, 2012, 2013, 2014

2013-07-11

.... Applicants: Shell Energy North America (US), L.P. Description: Updated Market Power Analysis for the Southwest Region of Shell Energy North America (US), L.P. Filed Date: 7/1/13. Accession Number: 20130701... DEPARTMENT OF ENERGY Federal Energy Regulatory Commission Combined Notice of Filings 1 Take notice...

Improved Solar-Driven Photocatalytic Performance of Highly Crystalline Hydrogenated TiO2 Nanofibers with Core-Shell Structure

NASA Astrophysics Data System (ADS)

Wu, Ming-Chung; Chen, Ching-Hsiang; Huang, Wei-Kang; Hsiao, Kai-Chi; Lin, Ting-Han; Chan, Shun-Hsiang; Wu, Po-Yeh; Lu, Chun-Fu; Chang, Yin-Hsuan; Lin, Tz-Feng; Hsu, Kai-Hsiang; Hsu, Jen-Fu; Lee, Kun-Mu; Shyue, Jing-Jong; Kordás, Krisztián; Su, Wei-Fang

2017-01-01

Hydrogenated titanium dioxide has attracted intensive research interests in pollutant removal applications due to its high photocatalytic activity. Herein, we demonstrate hydrogenated TiO2 nanofibers (H:TiO2 NFs) with a core-shell structure prepared by the hydrothermal synthesis and subsequent heat treatment in hydrogen flow. H:TiO2 NFs has excellent solar light absorption and photogenerated charge formation behavior as confirmed by optical absorbance, photo-Kelvin force probe microscopy and photoinduced charge carrier dynamics analyses. Photodegradation of various organic dyes such as methyl orange, rhodamine 6G and brilliant green is shown to take place with significantly higher rates on our novel catalyst than on pristine TiO2 nanofibers and commercial nanoparticle based photocatalytic materials, which is attributed to surface defects (oxygen vacancy and Ti3+ interstitial defect) on the hydrogen treated surface. We propose three properties/mechanisms responsible for the enhanced photocatalytic activity, which are: (1) improved absorbance allowing for increased exciton generation, (2) highly crystalline anatase TiO2 that promotes fast charge transport rate, and (3) decreased charge recombination caused by the nanoscopic Schottky junctions at the interface of pristine core and hydrogenated shell thus promoting long-life surface charges. The developed H:TiO2 NFs can be helpful for future high performance photocatalysts in environmental applications.

Improved Solar-Driven Photocatalytic Performance of Highly Crystalline Hydrogenated TiO2 Nanofibers with Core-Shell Structure

PubMed Central

Wu, Ming-Chung; Chen, Ching-Hsiang; Huang, Wei-Kang; Hsiao, Kai-Chi; Lin, Ting-Han; Chan, Shun-Hsiang; Wu, Po-Yeh; Lu, Chun-Fu; Chang, Yin-Hsuan; Lin, Tz-Feng; Hsu, Kai-Hsiang; Hsu, Jen-Fu; Lee, Kun-Mu; Shyue, Jing-Jong; Kordás, Krisztián; Su, Wei-Fang

2017-01-01

Hydrogenated titanium dioxide has attracted intensive research interests in pollutant removal applications due to its high photocatalytic activity. Herein, we demonstrate hydrogenated TiO2 nanofibers (H:TiO2 NFs) with a core-shell structure prepared by the hydrothermal synthesis and subsequent heat treatment in hydrogen flow. H:TiO2 NFs has excellent solar light absorption and photogenerated charge formation behavior as confirmed by optical absorbance, photo-Kelvin force probe microscopy and photoinduced charge carrier dynamics analyses. Photodegradation of various organic dyes such as methyl orange, rhodamine 6G and brilliant green is shown to take place with significantly higher rates on our novel catalyst than on pristine TiO2 nanofibers and commercial nanoparticle based photocatalytic materials, which is attributed to surface defects (oxygen vacancy and Ti3+ interstitial defect) on the hydrogen treated surface. We propose three properties/mechanisms responsible for the enhanced photocatalytic activity, which are: (1) improved absorbance allowing for increased exciton generation, (2) highly crystalline anatase TiO2 that promotes fast charge transport rate, and (3) decreased charge recombination caused by the nanoscopic Schottky junctions at the interface of pristine core and hydrogenated shell thus promoting long-life surface charges. The developed H:TiO2 NFs can be helpful for future high performance photocatalysts in environmental applications. PMID:28102314

Description of the lower jaws of Baculites from the Upper Cretaceous U.S. Western Interior

NASA Astrophysics Data System (ADS)

Larson, Neal L.; Landman, Neil H.

2017-03-01

We report the discovery of lower jaws of Baculites (Ammonoidea) from the Upper Cretaceous U.S. Western Interior. In the lower Campanian Smoky Hill Chalk Member of the Niobrara Chalk of Kansas, most of the jaws occur as isolated elements. Based on their age, they probably belong to Baculites sp. (smooth). They conform to the description of rugaptychus, and are ornamented with coarse rugae on their ventral side. One specimen is preserved inside a small fecal pellet that was probably produced by a fish. Another specimen occurs inside in a crushed body chamber near the aperture and is probably in situ. Three small structures are present immediately behind the jaw and may represent the remains of the gills. In the lower Maastrichtian Pierre Shale of Wyoming, two specimens of Baculites grandis contain lower jaws inside their body chambers, and are probably in situ. In both specimens, the jaws are oriented at an acute angle to the long axis of the shell, with their anterior ends pointing toward the dorsum. One of the jaws is folded into a U-shape, which probably approximates the shape of the jaw during life. Based on the measurements of the jaws and the shape of the shell, the jaws could not have touched the sides of the shell even if they were splayed out, implying that they could not have effectively served as opercula. Instead, in combination with the upper jaws and radula, they constituted the buccal apparatus that collected and conveyed food to the esophagus.

Morphological diversity of microstructures occurring in selected recent bivalve shells and their ecological implications

NASA Astrophysics Data System (ADS)

Brom, Krzysztof Roman; Szopa, Krzysztof

2016-12-01

Environmental adaptation of molluscs during evolution has led to form biomineral exoskeleton - shell. The main compound of their shells is calcium carbonate, which is represented by calcite and/or aragonite. The mineral part, together with the biopolymer matrix, forms many types of microstructures, which are differ in texture. Different types of internal shell microstructures are characteristic for some bivalve groups. Studied bivalve species (freshwater species - duck mussel (Anodonta anatina Linnaeus, 1758) and marine species - common cockle (Cerastoderma edule Linnaeus, 1758), lyrate Asiatic hard clam (Meretrix lyrata Sowerby II, 1851) and blue mussel (Mytilus edulis Linnaeus, 1758)) from different locations and environmental conditions, show that the internal shell microstructure with the shell morphology and thickness have critical impact to the ability to survive in changing environment and also to the probability of surviving predator attack. Moreover, more detailed studies on molluscan structures might be responsible for create mechanically resistant nanomaterials.

The radiative decays of excited states of transition elements located inside and near core-shell nanoparticles

NASA Astrophysics Data System (ADS)

Pukhov, Konstantin K.

2017-12-01

Here we discuss the radiative decays of excited states of transition elements located inside and outside of the subwavelength core-shell nanoparticles embedded in dielectric medium. Based on the quantum mechanics and quantum electrodynamics, the general analytical expressions are derived for the probability of the spontaneous transitions in the luminescent centers (emitter) inside and outside the subwavelength core-shell nanoparticle. Obtained expressions holds for arbitrary orientation of the dipole moment and the principal axes of the quadrupole moment of the emitter with respect to the radius-vector r connecting the center of the emitter with the center of the nanoparticle. They have simple form and show how the spontaneous emission in core-shell NPs can be controlled and engineered due to the dependence of the emission rates on core-shell sizes, radius-vector r and permittivities of the surrounding medium, shell, and core.

Defects in doped LaGaO3 anionic conductors: linking NMR spectral features, local environments, and defect thermodynamics.

PubMed

Blanc, Frédéric; Middlemiss, Derek S; Gan, Zhehong; Grey, Clare P

2011-11-09

Doped lanthanum gallate perovskites (LaGaO(3)) constitute some of the most promising electrolyte materials for solid oxide fuel cells operating in the intermediate temperature regime. Here, an approach combining experimental multinuclear NMR spectroscopy with density functional theory total energy and GIPAW NMR calculations yields a comprehensive understanding of the structural and defect chemistries of Sr- and Mg-doped LaGaO(3) anionic conductors. The DFT energetics demonstrate that Ga-V(O)-Ga (V(O) = oxygen vacancy) environments are favored (vs Ga-V(O)-Mg, Mg-V(O)-Mg and Mg-O-Mg-V(O)-Ga) across a range y = 0.0625, 0.125, and 0.25 of fractional Mg contents in LaGa(1-y)Mg(y)O(3-y/2). The results are interpreted in terms of doping and mean phase formation energies (relative to binary oxides) and are compared with previous calculations and experimental calorimetry data. Experimental multinuclear NMR data reveal that while Mg sites remain six-fold coordinated across the range of phase stoichiometries, albeit with significant structural disorder, a stoichiometry-dependent minority of the Ga sites resonate at a shift consistent with Ga(V) coordination, demonstrating that O vacancies preferentially locate in the first anion coordination shell of Ga. The strong Mg-V(O) binding inferred by previous studies is not observed here. The (17)O NMR spectra reveal distinct resonances that can be assigned by using the GIPAW NMR calculations to anions occupying equatorial and axial positions with respect to the Ga(V)-V(O) axis. The disparate shifts displayed by these sites are due to the nature and extent of the structural distortions caused by the O vacancies.

How to best smash a snail: the effect of tooth shape on crushing load

PubMed Central

Crofts, S. B.; Summers, A. P.

2014-01-01

Organisms that are durophagous, hard prey consumers, have a diversity of tooth forms. To determine why we see this variation, we tested whether some tooth forms break shells better than others. We measured the force needed with three series of aluminium tooth models, which varied in concavity and the morphology of a stress concentrating cusp, to break a shell. We created functionally identical copies of two intertidal snail shells: the thicker shelled Nucella ostrina and the more ornamented Nucella lamellosa using a three-dimensional printer. In this way, we reduced variation in material properties between test shells, allowing us to test only the interaction of the experimental teeth with the two shell morphologies. We found that for all tooth shapes, thicker shells are harder to break than the thinner shells and that increased ornamentation has no discernible effect. Our results show that for both shell morphologies, domed and flat teeth break shells better than cupped teeth, and teeth with tall or skinny cusps break shells best. While our results indicate that there is an ideal tooth form for shell breaking, we do not see this shape in nature. This suggests a probable trade-off between tooth function and the structural integrity of the tooth. PMID:24430124

Encapsulation of basic fibroblast growth factor by polyelectrolyte multilayer microcapsules and its controlled release for enhancing cell proliferation.

PubMed

She, Zhen; Wang, Chunxia; Li, Jun; Sukhorukov, Gleb B; Antipina, Maria N

2012-07-09

Basic fibroblast growth factor (FGF2) is an important protein for cellular activity and highly vulnerable to environmental conditions. FGF2 protected by heparin and bovine serum albumin was loaded into the microcapsules by a coprecipitation-based layer-by-layer encapsulation method. Low cytotoxic and biodegradable polyelectrolytes dextran sulfate and poly-L-arginine were used for capsule shell assembly. The shell thickness-dependent encapsulation efficiency was measured by enzyme-linked immunosorbent assay. A maximum encapsulation efficiency of 42% could be achieved by microcapsules with a shell thickness of 14 layers. The effects of microcapsule concentration and shell thickness on cytotoxicity, FGF2 release kinetics, and L929 cell proliferation were evaluated in vitro. The advantage of using microcapsules as the carrier for FGF2 controlled release for enhancing L929 cell proliferation was analyzed.

Identifying Fossil Shell Resources via Geophysical Surveys: Chesapeake Bay Region, Virginia

DTIC Science & Technology

2016-05-01

ER D C/ CH L TR -1 6- 4 Chesapeake Fossil Shell Survey Identifying Fossil Shell Resources via Geophysical Surveys: Chesapeake Bay Region...other technical reports published by ERDC, visit the ERDC online library at http://acwc.sdp.sirsi.net/client/default. Chesapeake Fossil Shell...Survey ERDC/CHL TR-16-4 May 2016 Identifying Fossil Shell Resources via Geophysical Surveys: Chesapeake Bay Region, Virginia Heidi M. Wadman and Jesse

Shell shape as a biomarker of marine pollution historic increase.

PubMed

Márquez, F; Primost, M A; Bigatti, G

2017-01-30

Buccinanops globulosus is a TBT sensitive marine gastropod, classified as a good indicator of imposex incidence and used as a model to study adverse contamination effects. Population and maritime industries has incremented pollution in Nuevo gulf harbor since 1970s, promoting morphological changes in B. globulosus shell shape. We study the shell shape of the species comparing present day's specimens from the harbor zone with those collected in the same zone before the increasing of maritime activity and pre-Hispanic archaeological Middens. We demonstrated that harbor pollution produces globular shell shape in B. globulosus, an effect that probably allows gastropods to isolate themselves from the external adverse environment. On the contrary, shells from pre-Hispanic periods, unpolluted sites and those collected before the expansion of maritime activities, presented an elongated shell shape. Our study confirms that shell shape variation in marine gastropods can be used as a biomarker of harbor pollution. Copyright © 2016 Elsevier Ltd. All rights reserved.

Ruptured-yolk peritonitis and organochlorine residues in a royal tern

USGS Publications Warehouse

Blus, L.J.; Locke, L.N.; Stafford, C.J.

1977-01-01

Ruptured-yolk peritonitis was responsible for the death of a royal tern. Lodgment of eggs in the oviduct was probably due to reverse peristalsis brought about by breakage of the thin-shelled eggs and secondary bacterial infection. The thin shells were apparently not related to the low levels of DDE and other organochlorine pollutants found in tissues and egg contents.

Carbon diffusion in bulk hcp zirconium: A multi-scale approach

NASA Astrophysics Data System (ADS)

Xu, Y.; Roques, J.; Domain, C.; Simoni, E.

2016-05-01

In the framework of the geological repository of the used fuel claddings of pressurized water reactor, carbon behavior in bulk zirconium is studied by periodic Density Functional Theory calculations. The C interstitial sites were investigated and it was found that there are two possible carbon interstitial sites: a distorted basal tetragonal site and an octahedral site. There are four types of possible atomic jumps between them. After calculating the migration energies, the attempt frequencies and the jump probabilities for each possible migration path, kinetic Monte Carlo (KMC) simulations were performed to simulate carbon diffusion at the macroscopic scale. The results show that carbon diffusion in pure Zr bulk is extremely limited at the storage temperature (50 °C). Since there are defects in Zr bulk, in a second step, the effect of atomic vacancy was studied and it was proved that vacancies cannot increase carbon diffusion.

Laser writing of coherent colour centres in diamond

NASA Astrophysics Data System (ADS)

Chen, Yu-Chen; Salter, Patrick S.; Knauer, Sebastian; Weng, Laiyi; Frangeskou, Angelo C.; Stephen, Colin J.; Ishmael, Shazeaa N.; Dolan, Philip R.; Johnson, Sam; Green, Ben L.; Morley, Gavin W.; Newton, Mark E.; Rarity, John G.; Booth, Martin J.; Smith, Jason M.

2017-02-01

Optically active point defects in crystals have gained widespread attention as photonic systems that could be applied in quantum information technologies. However, challenges remain in the placing of individual defects at desired locations, an essential element of device fabrication. Here we report the controlled generation of single negatively charged nitrogen-vacancy (NV-) centres in diamond using laser writing. Aberration correction in the writing optics allows precise positioning of the vacancies within the diamond crystal, and subsequent annealing produces single NV- centres with a probability of success of up to 45 ± 15%, located within about 200 nm of the desired position in the transverse plane. Selected NV- centres display stable, coherent optical transitions at cryogenic temperatures, a prerequisite for the creation of distributed quantum networks of solid-state qubits. The results illustrate the potential of laser writing as a new tool for defect engineering in quantum technologies, and extend laser processing to the single-defect domain.

Morphology of glochidia of Lampsilis higginsi (Bivalvia: Unionidae) compared with three related species

USGS Publications Warehouse

Waller, D.L.; Holland Bartels, L. E.; Mitchell, L.G.

1988-01-01

Glochidia of the endangered unionid mussel Lampsilis higginsi (Lea) are morphologically similar to those of several other species in the upper Mississippi River. Life history details, such as the timing of reproduction and identity of host fish, can be readily studied if the glochidia of L. higginsi can be distinguished from those of related species. Authors used light and scanning electron microscopy and statistical analyses of three shell measurements, shell length, shell height, and hinge length, to compare the glochidia of L. higginsi with those of L. radiata siliquoidea (Barnes), L. ventricosa (Barnes), and Ligumia recta (Lamarck). Glochidia of L. higginsi were differentiated by scanning electron microscopy on the basis of a combined examination of the position of the hinge ligament and the width of dorsal ridges, but were indistinguishable by light microscope examination or by statistical analyses of measurements.

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

Kaspar, Tiffany C.; Sushko, Peter V.; Bowden, Mark E.

Epitaxial thin films of Cr2-xTixO3 were deposited by oxygen-plasma-assisted molecular beam epitaxy (OPA-MBE) for 0.04 ≤ x ≤ 0.26. Ti speciation is verified by both x-ray photoelectron spectroscopy (XPS) and Ti K-edge x-ray absorption near-edge spectroscopy (XANES) to be Ti4+. Substitution of Ti for Cr in the corundum lattice is confirmed by modeling of the Ti K-edge extended x-ray absorption fine structure (EXAFS). Room temperature electrical transport measurements confirm the highly insulating nature of Ti-doped Cr2O3, despite the presence of aliovalent Ti4+. The resistivity of highly pure, undoped Cr2O3 was measured to be three orders of magnitude higher than formore » Ti-doped Cr2O3. Although the formation of Cr vacancies in Ti-doped Cr2O3 is found by density functional theory (DFT) calculations to be the energetically preferable defect compensation mechanism to maintain charge neutrality, an analysis of the XPS and EXAFS data reveal the presence of both Cr vacancies and oxygen interstitials at intermediate and high Ti concentrations, with a weak trend towards Cr vacancies as the Ti concentration increases. At low Ti concentrations, a strong dependence of the XPS Ti 2p core level peak width on concentration is observed. This dependence is attributed to the presence of widely spaced Ti dopants, which renders compensation of two or three Ti by a single oxygen interstitial or Cr vacancy, respectively, less probable. Instead, defect clusters of unknown type occur, although they may involve Cr vacancies. The defect compensation model developed here provides insight into previous, conflicting reports of n-type versus p-type conductivity in Ti-doped Cr2O3 at high temperature, and will inform future studies to exploit the wide variety of electronic and magnetic properties of corundum-structure oxides.« less

Enzymatic production of N-acetyl-d-glucosamine from crayfish shell wastes pretreated via high pressure homogenization.

PubMed

Wei, Guoguang; Zhang, Alei; Chen, Kequan; Ouyang, Pingkai

2017-09-01

This study presents an efficient pretreatment of crayfish shell using high pressure homogenization that enables N-acetyl-d-glucosamine (GlcNAc) production by chitinase. Firstly, the chitinase from Serratia proteamaculans NJ303 was screened for its ability to degrade crayfish shell and produce GlcNAc as the sole product. Secondly, high pressure homogenization, which caused the crayfish shell to adopt a fluffy netted structure that was characterized by Scanning electron microscope (SEM), Fourier transform infrared spectrometer (FT-IR), X-ray diffraction (XRD), was evaluated as the best pretreatment method. In addition, the optimal conditions of high pressure homogenization of crayfish shell were determined to be five cycles at a pressure of 400bar, which achieved a yield of 3.9g/L of GlcNAc from 25g/L of crayfish shell in a batch enzymatic reaction over 1.5h. The results showed high pressure homogenization might be an efficient method for direct utilization of crayfish shell for enzymatic production of GlcNAc. Copyright © 2017 Elsevier Ltd. All rights reserved.

Oxygen vacancies enabled enhancement of catalytic property of Al reduced anatase TiO{sub 2} in the decomposition of high concentration ozone

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

Ding, Yanhua; Zhang, Xiaolei; Chen, Li

The catalytic decomposition of gaseous ozone (O{sub 3}) is investigated using anatase TiO{sub 2} (A-TiO{sub 2}) and Aluminum-reduced A-TiO{sub 2} (ARA-TiO{sub 2}) at high concentration and high relative humidity (RH) without light illumination. Compared with the pristine A-TiO{sub 2}, the ARA-TiO{sub 2} sample possesses a unique crystalline core-amorphous shell structure. It is proved to be an excellent solar energy “capture” for solar thermal collectors due to lots of oxygen vacancies. The results indicate that the overall decomposition efficiency of O{sub 3} without any light irradiation has been greatly improved from 4.8% on A-TiO{sub 2} to 100% on ARA-TiO{sub 2} undermore » the RH=100% condition. The ozone conversion over T500/ARA-TiO{sub 2} catalyst is still maintained at 95% after a 72 h test under the reaction condition of 18.5 g/m{sup 3} ozone initial concentration, and RH=90%. The results can be explained that T500/ARA-TiO{sub 2} possesses the largest amorphous contour, the lowest crystallinity, the most surface-active Ti{sup 3+}/T{sup i4+}couples, and the most oxygen vacancies. This result opens a new door to widen the application of TiO{sub 2} in the thermal-catalytic field. - Graphical abstract: The anatase-TiO{sub 2} with various oxidation states and oxygen vacancies have been obtained by aluminum-reduction, and the decomposition efficiency of O{sub 3} has been greatly improved from 4.8% to 100% without irradiation under the RH=100% condition. - Highlights: • The decomposition of gaseous ozone over Al reduced TiO2 (ARA-TiO{sub 2}) is firstly reported. • The decomposition efficiency is up to 100% without any light irradiation on ARA-TiO{sub 2} under RH=100% condition. • The ozone conversion is maintained at 95% after a 72 h test, when C{sub inlet}=18.5 g/m{sup 3} and RH=90%.« less

Use of the Bethe equation for inner-shell ionization by electron impact

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

Powell, Cedric J.; Llovet, Xavier; Salvat, Francesc

2016-05-14

We analyzed calculated cross sections for K-, L-, and M-shell ionization by electron impact to determine the energy ranges over which these cross sections are consistent with the Bethe equation for inner-shell ionization. Our analysis was performed with K-shell ionization cross sections for 26 elements, with L-shell ionization cross sections for seven elements, L{sub 3}-subshell ionization cross sections for Xe, and M-shell ionization cross sections for three elements. The validity (or otherwise) of the Bethe equation could be checked with Fano plots based on a linearized form of the Bethe equation. Our Fano plots, which display theoretical cross sections andmore » available measured cross sections, reveal two linear regions as predicted by de Heer and Inokuti [in Electron Impact Ionization, edited by T. D. Märk and G. H. Dunn, (Springer-Verlag, Vienna, 1985), Chap. 7, pp. 232–276]. For each region, we made linear fits and determined values of the two element-specific Bethe parameters. We found systematic variations of these parameters with atomic number for both the low- and the high-energy linear regions of the Fano plots. We also determined the energy ranges over which the Bethe equation can be used.« less

The unrestricted local properties: application in nanoelectronics and for predicting radicals reactivity.

PubMed

Dral, Pavlo O

2014-03-01

The local electron affinity (EA(L)) and the local ionization energy (IE(L)) are successfully used for predicting properties of closed-shell species for drug design and for nanoelectronics. Here the respective unrestricted Hartree-Fock variants of EA(L) and IE(L), i.e., the unrestricted local electron affinity (UHF-EA(L)) and ionization energy (UHF-IE(L)), have been shown to be useful for predicting properties of open-shell species. UHF-EA(L) and UHF-IE(L) have been applied for explaining unique electronic properties of an exemplary nanomaterial carbon peapod. It is also demonstrated that UHF-EA(L) is useful for predicting and better understanding reactivity of radicals related to alkanes activation.

76 FR 13422 - Lower Mississippi River Waterway Safety Advisory Committee; Vacancies

Federal Register 2010, 2011, 2012, 2013, 2014

2011-03-11

... authority found in section 19 of the Coast Guard Authorization Act of 1991, (Pub. L. 102-241) as amended by section 621 of the Coast Guard Authorization Act of 2010, Public Law 111-281. The Lower Mississippi River...

Characterization of the Mantle Transcriptome of Yesso Scallop (Patinopecten yessoensis): Identification of Genes Potentially Involved in Biomineralization and Pigmentation

PubMed Central

Sun, Xiujun; Yang, Aiguo; Wu, Biao; Zhou, Liqing; Liu, Zhihong

2015-01-01

The Yesso scallop Patinopecten yessoensis is an economically important marine bivalve species in aquaculture and fishery in Asian countries. However, limited genomic resources are available for this scallop, which hampers investigations into molecular mechanisms underlying their unique biological characteristics, such as shell formation and pigmentation. Mantle is the special tissue of P. yessoensis that secretes biomineralization proteins inducing shell deposition as well as pigmentation on the shells. However, a current deficiency of transcriptome information limits insight into mechanisms of shell formation and pigmentation in this species. In this study, the transcriptome of the mantle of P. yessoensis was deeply sequenced and characterized using Illumina RNA-seq technology. A total of 86,521 unique transcripts are assembled from 55,884,122 reads that passed quality filters, and annotated, using Gene Ontology classification. A total of 259 pathways are identified in the mantle transcriptome, including the calcium signaling and melanogenesis pathways. A total of 237 unigenes that are homologous to 102 reported biomineralization genes are identified, and 121 unigenes that are homologous to 93 known proteins related to melanin biosynthesis are found. Twenty-three annotated unigenes, which are mainly homologous to calmodulin and related proteins, Ca2+/calmodulin-dependent protein kinase, adenylate/guanylate cyclase, and tyrosinase family are potentially involved in both biomineralization and melanin biosynthesis. It is suggested that these genes are probably not limited in function to induce shell deposition by calcium metabolism, but may also be involved in pigmentation of the shells of the scallop. This potentially supports the idea that there might be a link between calcium metabolism and melanin biosynthesis, which was previously found in vertebrates. The findings presented here will notably advance the understanding of the sophisticated processes of shell formation as well as shell pigmentation in P. yessoensis and other bivalve species, and also provide new evidence on gene expression for the understanding of pigmentation and biomineralization not only in invertebrates but also probably in vertebrates. PMID:25856556

Positron Survival in Type II Supernovae

DTIC Science & Technology

1989-05-01

the fewer number of decays depositing energy within the supernova. The rate of this cooling is unknown because it is uncertain whether a pulsar was...details of the radial mixing may yield more precise results but they should not negate my final result. 50 0. LO ’) C u -4S Cu CdU in~~ in0oi 4l cu CV (U...START OF SHELL LO ***.**A***.. for (z=0; z< 14.5; z=z+1.O) ttl= 0; inikdazsity = shell(z]lOI; dshlsum - shejzllhJ/51; fprinzf(point.* Shell numbe

Semiclassical S-matrix for black holes

DOE PAGES

Bezrukov, Fedor; Levkov, Dmitry; Sibiryakov, Sergey

2015-12-01

In this study, we propose a semiclassical method to calculate S-matrix elements for two-stage gravitational transitions involving matter collapse into a black hole and evaporation of the latter. The method consistently incorporates back-reaction of the collapsing and emitted quanta on the metric. We illustrate the method in several toy models describing spherical self-gravitating shells in asymptotically flat and AdS space-times. We find that electrically neutral shells reflect via the above collapse-evaporation process with probability exp(–B), where B is the Bekenstein-Hawking entropy of the intermediate black hole. This is consistent with interpretation of exp(B) as the number of black hole states.more » The same expression for the probability is obtained in the case of charged shells if one takes into account instability of the Cauchy horizon of the intermediate Reissner-Nordström black hole. As a result, our semiclassical method opens a new systematic approach to the gravitational S-matrix in the non-perturbative regime.« less

Dynamic Probabilistic Instability of Composite Structures

NASA Technical Reports Server (NTRS)

Chamis, Christos C.

2009-01-01

A computationally effective method is described to evaluate the non-deterministic dynamic instability (probabilistic dynamic buckling) of thin composite shells. The method is a judicious combination of available computer codes for finite element, composite mechanics and probabilistic structural analysis. The solution method is incrementally updated Lagrangian. It is illustrated by applying it to thin composite cylindrical shell subjected to dynamic loads. Both deterministic and probabilistic buckling loads are evaluated to demonstrate the effectiveness of the method. A universal plot is obtained for the specific shell that can be used to approximate buckling loads for different load rates and different probability levels. Results from this plot show that the faster the rate, the higher the buckling load and the shorter the time. The lower the probability, the lower is the buckling load for a specific time. Probabilistic sensitivity results show that the ply thickness, the fiber volume ratio and the fiber longitudinal modulus, dynamic load and loading rate are the dominant uncertainties in that order.

Tables of E2 transition probabilities from the first 2 + states in even-even nuclei [B(E2) evaluation for 0 + 1 → 2 + 1 transitions in even-even nuclei

DOE PAGES

Pritychenko, B.; Birch, M.; Singh, B.; ...

2015-11-03

A complete B(E2)↑ evaluation and compilation for even-even nuclei has been presented. The present paper is a continuation of P.H. Stelson and L. Grodzins, and S. Raman et al. nuclear data evaluations and was motivated by a large number of new measurements. It extends the list of evaluated nuclides from 328 to 452, includes an extended list of nuclear reaction kinematics parameters and comprehensive shell model analysis. Evaluation policies for analysis of experimental data have been discussed and conclusions are given. Moreover, future plans for B(E2)↑ systematics and experimental technique analyses of even-even nuclei are outlined.

Hydroxyl migration disorders the surface structure of hydroxyapatite nanoparticles

NASA Astrophysics Data System (ADS)

Cheng, Xiajie; Wu, Hong; Zhang, Li; Ma, Xingtao; Zhang, Xingdong; Yang, Mingli

2017-09-01

The surface structure of nano-hydroxyapatite (HAP) was investigated using a combined simulated annealing and molecular dynamics method. The stationary structures of nano-HAP with 4-7 nm in diameter and annealed under different temperatures were analyzed in terms of pair distribution function, structural factor, mean square displacement and atomic coordination number. The particles possess different structures from bulk crystal. A clear radial change in their atomic arrangements was noted. From core to surface the structures change from ordered to disordered. A three-shell model was proposed to describe the structure evolution of nano-HAP. Atoms in the core zone keep their arrangements as in crystal, while atoms in the surface shell are in short-range order and long-range disorder, adopting a typically amorphous structure. Atoms in the middle shell have small displacements and/or deflections but basically retain their original locations as in crystal. The disordered shell is about 1 nm in thickness, in agreement with experimental observations. The disordering mainly stems from hydroxyl migration during which hydroxyls move to the surface and bond with the exposed Ca ions, and their left vacancies bring about a rearrangement of nearby atoms. The disordering is to some extent different for particles unannealed under different temperatures, resulting from fewer number of migrated hydroxyls at lower temperatures. Particles with different sizes have similar surface structures, and their surface energy decreases with increasing size. Moreover, the surface energy is reduced by hydroxyl migration because the exposed Ca ions on the surface are ionically bonded with the migrated hydroxyls. Our calculations proposed a new structure model for nano-HAP, which indicates a surface structure with activities different from those without surface reorganization. This is particularly interesting because most bioactivities of biomaterials are dominated by their surface activity.

K-shell X-ray transition energies of multi-electron ions of silicon and sulfur

NASA Astrophysics Data System (ADS)

Beiersdorfer, P.; Brown, G. V.; Hell, N.; Santana, J. A.

2017-10-01

Prompted by the detection of K-shell absorption or emission features in the spectra of plasma surrounding high mass X-ray binaries and black holes, recent measurements using the Livermore electron beam ion trap have focused on the energies of the n = 2 to n = 1 K-shell transitions in the L-shell ions of lithiumlike through fluorinelike silicon and sulfur. In parallel, we have made calculations of these transitions using the Flexible Atomic Code and the multi-reference Møller-Plesset (MRMP) atomic physics code. Using this code we have attempted to produce sets of theoretical atomic data with spectroscopic accuracy for all the L-shell ions of silicon and sulfur. We present results of our calculations for oxygenlike and fluorinelike silicon and compare them to the recent electron beam ion trap measurements as well as previous calculations.

K-shell X-ray transition energies of multi-electron ions of silicon and sulfur

DOE PAGES

Beiersdorfer, P.; Brown, G. V.; Hell, N.; ...

2017-04-20

Prompted by the detection of K-shell absorption or emission features in the spectra of plasma surrounding high mass X-ray binaries and black holes, recent measurements using the Livermore electron beam ion trap have focused on the energies of the n = 2 to n = 1 K-shell transitions in the L-shell ions of lithiumlike through fluorinelike silicon and sulfur. In parallel, we have made calculations of these transitions using the Flexible Atomic Code and the multi-reference Møller-Plesset (MRMP) atomic physics code. Using this code we have attempted to produce sets of theoretical atomic data with spectroscopic accuracy for all themore » L-shell ions of silicon and sulfur. Here, we present results of our calculations for oxygenlike and fluorinelike silicon and compare them to the recent electron beam ion trap measurements as well as previous calculations.« less

Deep Brain Stimulation Reveals a Dissociation of Consummatory and Motivated Behaviour in the Medial and Lateral Nucleus Accumbens Shell of the Rat

PubMed Central

van der Plasse, Geoffrey; Schrama, Regina; van Seters, Sebastiaan P.; Vanderschuren, Louk J. M. J.

2012-01-01

Following the successful application of deep brain stimulation (DBS) in the treatment of Parkinson's disease and promising results in clinical trials for obsessive compulsive disorder and major depression, DBS is currently being tested in small patient-populations with eating disorders and addiction. However, in spite of its potential use in a broad spectrum of disorders, the mechanisms of action of DBS remain largely unclear and optimal neural targets for stimulation in several disorders have yet to be established. Thus, there is a great need to examine site-specific effects of DBS on a behavioural level and to understand how DBS may modulate pathological behaviour. In view of the possible application of DBS in the treatment of disorders characterized by impaired processing of reward and motivation, like addiction and eating disorders, we examined the effect of DBS of the nucleus accumbens (NAcc) on food-directed behavior. Rats were implanted with bilateral stimulation electrodes in one of three anatomically and functionally distinct sub-areas of the NAcc: the core, lateral shell (lShell) and medial shell (mShell). Subsequently, we studied the effects of DBS on food consumption, and the motivational and appetitive properties of food. The data revealed a functional dissociation between the lShell and mShell. DBS of the lShell reduced motivation to respond for sucrose under a progressive ratio schedule of reinforcement, mShell DBS, however, profoundly and selectively increased the intake of chow. DBS of the NAcc core did not alter any form of food-directed behavior studied. DBS of neither structure affected sucrose preference. These data indicate that the intake of chow and the motivation to work for palatable food can independently be modulated by DBS of subregions of the NAcc shell. As such, these findings provide important leads for the possible future application of DBS as a treatment for eating disorders such as anorexia nervosa. PMID:22428054

Deep brain stimulation reveals a dissociation of consummatory and motivated behaviour in the medial and lateral nucleus accumbens shell of the rat.

PubMed

van der Plasse, Geoffrey; Schrama, Regina; van Seters, Sebastiaan P; Vanderschuren, Louk J M J; Westenberg, Herman G M

2012-01-01

Following the successful application of deep brain stimulation (DBS) in the treatment of Parkinson's disease and promising results in clinical trials for obsessive compulsive disorder and major depression, DBS is currently being tested in small patient-populations with eating disorders and addiction. However, in spite of its potential use in a broad spectrum of disorders, the mechanisms of action of DBS remain largely unclear and optimal neural targets for stimulation in several disorders have yet to be established. Thus, there is a great need to examine site-specific effects of DBS on a behavioural level and to understand how DBS may modulate pathological behaviour. In view of the possible application of DBS in the treatment of disorders characterized by impaired processing of reward and motivation, like addiction and eating disorders, we examined the effect of DBS of the nucleus accumbens (NAcc) on food-directed behavior. Rats were implanted with bilateral stimulation electrodes in one of three anatomically and functionally distinct sub-areas of the NAcc: the core, lateral shell (lShell) and medial shell (mShell). Subsequently, we studied the effects of DBS on food consumption, and the motivational and appetitive properties of food. The data revealed a functional dissociation between the lShell and mShell. DBS of the lShell reduced motivation to respond for sucrose under a progressive ratio schedule of reinforcement, mShell DBS, however, profoundly and selectively increased the intake of chow. DBS of the NAcc core did not alter any form of food-directed behavior studied. DBS of neither structure affected sucrose preference. These data indicate that the intake of chow and the motivation to work for palatable food can independently be modulated by DBS of subregions of the NAcc shell. As such, these findings provide important leads for the possible future application of DBS as a treatment for eating disorders such as anorexia nervosa.

Outflow and Infall in Star-forming Region L1221

NASA Astrophysics Data System (ADS)

Lee, Chin-Fei; Ho, Paul T. P.

2005-10-01

We have mapped the 3.3 mm continuum, CO, HCO+, N2H+, and CS emission around a nearby Class I source, IRAS 22266+6845, in the L1221 cometary dark cloud. L1221 is a complicated star-forming region. It hosts three infrared sources: a close binary consisting of an east source and a west source around the IRAS source position and a southeast source ~45" to the southeast (T. Bourke 2004, private communication). The east source is identified as the IRAS source. Continuum emission is seen around the east and southeast sources, probably tracing the dust around them. No continuum emission is seen toward the west source, probably indicating that there is not much dust there. An east-west molecular outflow is seen in CO, HCO+, and CS originated from around the binary. It is bipolar with an east lobe and a west lobe, both appearing as a wide-opening outflow shell originated from around the binary. It is likely powered by the east source, which shows a southeast extension along the outflow axis in the K' image. A ringlike envelope is seen in N2H+ around the binary surrounding the outflow waist. It is tilted with the major axis perpendicular to the outflow axis. The kinematics is well reproduced by a thin-disk model with both infall and rotation, and a column density peak in a ring. The ringlike envelope is not rotationally supported, as the rotation velocity is smaller than the infall velocity.

Structural characterization combined with the first principles simulations of barium/strontium cobaltite/ferrite as promising material for solid oxide fuel cells cathodes and high-temperature oxygen permeation membranes.

PubMed

Gangopadhayay, Shruba; Inerbaev, Talgat; Masunov, Artëm E; Altilio, Deanna; Orlovskaya, Nina

2009-07-01

Mixed ionic-electronic conducting perovskite type oxides with a general formula ABO(3) (where A = Ba, Sr, Ca and B = Co, Fe, Mn) often have high mobility of the oxygen vacancies and exhibit strong ionic conductivity. They are key materials that find use in several energy related applications, including solid oxide fuel cell (SOFC), sensors, oxygen separation membranes, and catalysts. Barium/strontium cobaltite/ferrite (BSCF) Ba(0.5)Sr(0.5)Co(0.8)Fe(0.2)O(3-delta) was recently identified as a promising candidate for cathode material in intermediate temperature SOFCs. In this work, we perform experimental and theoretical study of the local atomic structure of BSFC. Micro-Raman spectroscopy was performed to characterize the vibrational properties of BSCF. The Jahn-Teller distortion of octahedral coordination around Co(4+) cations was observed experimentally and explained theoretically. Different cations and oxygen vacancies ordering are examined using plane wave pseudopotential density functional theory. We find that cations are completely disordered, whereas oxygen vacancies exhibit a strong trend for aggregation in L-shaped trimer and square tetramer structure. On the basis of our results, we suggest a new explanation for BSCF phase stability. Instead of linear vacancy ordering, which must take place before the phase transition into brownmillerite structure, the oxygen vacancies in BSCF prefer to form the finite clusters and preserve the disordered cubic structure. This structural feature could be found only in the first-principles simulations and can not be explained by the effect of the ionic radii alone.

Core-shell structure of Miglyol/poly(D,L-lactide)/Poloxamer nanocapsules studied by small-angle neutron scattering.

PubMed

Rübe, Andrea; Hause, Gerd; Mäder, Karsten; Kohlbrecher, Joachim

2005-10-03

The contrast variation technique in small angle neutron scattering (SANS) was used to investigate the inner structure of nanocapsules on the example of poly(D,L-lactide) (PLA) nanocapsules. The determination of the PLA and Poloxamer shell thickness was the focus of this study. Highest sensitivity on the inner structure of the nanocapsules was obtained when the scattering length density of the solvent was varied between the one of the Miglyol core and the PLA shell. According to the fit data the PLA shell thickness was 9.8 nm. The z-averaged radius determined by SANS experiments correlated well with dynamic light scattering (DLS) results, although DLS values were systematically slightly higher than the ones measured by SANS. This could be explained by taking into account the influence of Poloxamer attached to the nanocapsules surface. For a refined fit model with a second shell consisting of Poloxamer, SANS values and DLS values fitted well with each other. The characterization method presented here is significant because detailed insights into the nanocapsule and the Poloxamer shell were gained for the first time. This method could be used to develop strategies for the optimization of the shell properties concerning controlled release and to study changes in the shell structure during degradation processes.

Antioxidant and Anti-Adipogenic Activities of Trapa japonica Shell Extract Cultivated in Korea

PubMed Central

Lee, DooJin; Lee, Ok-Hwan; Choi, Geunpyo; Kim, Jong Dai

2017-01-01

Trapa japonica shell contains phenolic compounds such as tannins. Studies regarding the antioxidant and anti-adipogenic effects of Trapa japonica shell cultivated in Korea are still unclear. Antioxidant and anti-adipogenic activities were measured by in vitro assays such as 2,2-diphenyl-1-picrylhydrazy (DPPH) radical scavenging activity, 2,2′-azinobis( 3-ethylbenzothiazoline-6-sulphonic acid) (ABTS) radical scavenging activity, ferric reducing ability of plasma assay, reducing power, superoxide dismutase-like activity, and iron chelating ability in 3T3-L1 cells. We also measured the total phenol and flavonoids contents (TPC and TFC, respectively) in Trapa japonica shell extract. Our results show that TPC and TFC of Trapa japonica shell extract were 157.7±0.70 mg gallic acid equivalents/g and 25.0±1.95 mg quercetin equivalents/g, respectively. Trapa japonica shell extract showed strong antioxidant activities in a dose-dependent manner in DPPH and ABTS radical scavenging activities and other methods. Especially, the whole antioxidant activity test of Trapa japonica shell extract exhibited higher levels than that of butylated hydroxytoluene as a positive control. Furthermore, Trapa japonica shell extract inhibited lipid accumulation and reactive oxygen species production during the differentiation of 3T3-L1 preadipocytes. Trapa japonica shell extract possessed a significant antioxidant and anti-adipogenic property, which suggests its potential as a natural functional food ingredient. PMID:29333386

The stability of vacancy clusters and their effect on helium behaviors in 3C-SiC

NASA Astrophysics Data System (ADS)

Sun, Jingjing; Li, B. S.; You, Yu-Wei; Hou, Jie; Xu, Yichun; Liu, C. S.; Fang, Q. F.; Wang, Z. G.

2018-05-01

We have carried out systematical ab initio calculations to study the stability of vacancy clusters and their effect on helium behaviors in 3C-SiC. It is found that the formation energies of vacancy clusters containing only carbon vacancies are the lowest although the vacancies are not closest to each other, while the binding energies of vacancy clusters composed of both silicon and carbon vacancies in the closest neighbors to each other are the highest. Vacancy clusters can provide with free space for helium atoms to aggregate, while interstitial sites are not favorable for helium atoms to accumulate. The binding energies of vacancy clusters with helium atoms increase almost linearly with the ratio of helium to vacancy, n/m. The binding strength of vacancy cluster having the participation of the silicon vacancy with helium is relatively stronger than that without silicon vacancy. The vacancy clusters with more vacancies can trap helium atoms more tightly. With the presence of vacancy clusters in the material, the diffusivity of helium will be significantly reduced. Moreover, the three-dimension electron density is calculated to analyze the interplay of vacancy clusters with helium.

The effects of staggered bandgap in the InP/CdSe and CdSe/InP core/shell quantum dots.

PubMed

Kim, Sunghoon; Park, Jaehyun; Kim, Sungwoo; Jung, Won; Sung, Jaeyoung; Kim, Sang-Wook

2010-06-15

New type-II structures of CdSe/InP and InP/CdSe core-shell nanocrystals which have staggered bandgap alignment were fabricated. Using a simple model for the wave function for electrons and holes in InP/CdSe and CdSe/InP core/shell nanocrystals showed the wave function of the electron and hole spread into the shell, respectively. The probability density of the InP/CdSe and CdSe/InP core/shell QDs also showed a similar tendency. As a result, the structure exhibits increased delocalization of electrons and holes, leading to a red-shift in absorption and emission. Quantum yield increased in the InP/CdSe, however decreased in the CdSe/InP. The reason may be due to the surface trap and high activation barrier for de-trapping in the InP shell. 2010 Elsevier Inc. All rights reserved.

Plasma observations near saturn: initial results from voyager 2.

PubMed

Bridge, H S; Bagenal, F; Belcher, J W; Lazarus, A J; McNutt, R L; Sullivan, J D; Gazis, P R; Hartle, R E; Ogilvie, K W; Scudder, J D; Sittler, E C; Eviatar, A; Siscoe, G L; Goertz, C K; Vasyliunas, V M

1982-01-29

Results of measurements of plasma electrons and poitive ions made during the Voyager 2 encounter with Saturn have been combined with measurements from Voyager 1 and Pioneer 11 to define more clearly the configuration of plasma in the Saturnian magnetosphere. The general morphology is well represented by four regions: (i) the shocked solar wind plasma in the magnetosheath, observed between about 30 and 22 Saturn radii (RS) near the noon meridian; (ii) a variable density region between approximately 17 RS and the magnetopause; (iii) an extended thick plasma sheet between approximately 17 and approximately 7 RS symmetrical with respect to Saturn's equatorial plane and rotation axis; and (iv) an inner plasma torus that probably originates from local sources and extends inward from L approximately 7 to less than L approximately 2.7 (L is the magnetic shell parameter). In general, the heavy ions, probably O(+), are more closely confined to the equatorial plane than H(+), so that the ratio of heavy to light ions varies along the trajectory according to the distance of the spacecraft from the equatorial plane. The general configuration of the plasma sheet at Saturn found by Voyager 1 is confirmed, with some notable differences and additions. The "extended plasma sheet," observed between L approximately 7 and L approximately 15 by Voyager 1 is considerably thicker as observed by Voyager 2. Inward of L approximately 4, the plasma sheet collapses to a thin region about the equatorial plane. At the ring plane crossing, L approximately 2.7, the observations are consistent with a density of O(+) of approximately 100 per cubic centimeter, with a temperature of approximately 10 electron volts. The location of the bow shock and magnetopause crossings were consistent with those previously observed. The entire magnetosphere was larger during the outbound passage of Voyager 2 than had been previously observed; however, a magnetosphere of this size or larger is expected approximately 3 percent of the time.

Workshop on MQW Mixing and its Application to Optoelectronic Devices

DTIC Science & Technology

1990-09-01

21st SEPTEMBER 1990 L Approvsd to; Puiic~ zeleaaeg serc .., 90 ! ;>:.01. . 𔃻 i OR 3ANISING COMMITTEE: . . . . B L Weiss (Chairman) University of...temperature photoluminescence ( PL ) and PL excitation (PLE) spectroscopies were used to monitor exciton energies before and after processing. After RTA...generated near the surface. Spatially resolved PL spectroscopy verified that the lateral diffusion of surface vacancies was less than that of the

Thickness Constraints on the Icy Shells of the Galilean Satellites from a Comparison of Crater Shapes

NASA Technical Reports Server (NTRS)

Schenk, Paul M.

2002-01-01

A thin outer ice shell on Jupiter's large moon Europa would imply easy exchange between the surface and any organic or biotic material in its putative subsurface ocean. The thickness of the outer ice shell is poorly constrained, however, with model-dependent estimates ranging from a few kilometers of depths of impact craters on Europa, Ganymede and Callisto that reveal two anomalous transitions in crater shape with diameter. The first transition is probably related to temperature-dependent ductility of the crust at shallow depths (7-8 km on Europa). The second transition is attributed to the influence of subsurface oceans on all three satellites, which constrains Europa's icy shell to be at least 19 km thick. The icy lithospheres of Ganymede and Callisto are equally ice-rich, but Europa's icy shell has a thermal structure about 0.25-0.5 times the thickness of Ganymede's or Callisto's shells, depending on epoch. The appearances of the craters on Europa are inconsistent with thin-ice-shell models and indicate that exchange of oceanic and surface material could be difficult.

Evaluating Microstructure Preservation using Scanning Electron Microscopy in an Extinct Bivalve, Lahillia larseni

NASA Astrophysics Data System (ADS)

Mohr, R. C.; Tobin, T. S.

2017-12-01

Ontogenetic stable isotope (δ18O) sampling of accretionary carbonate shells can provide sub-annual records of environmental conditions, such as seawater temperature, during the life of an organism. These records of seasonal temperature variations can refine our understanding of ancient climates and past climate change. However, because original isotopic signatures can be altered by diagenesis, it is necessary to examine potential specimens for evidence of diagenetic alteration. Abundant aragonitic Lahillia larseni bivalves from the latest Cretaceous and Early Paleogene on Seymour Island, Antarctica, provide excellent opportunities for sclerochronological investigations. Shells of L. larseni preserve clear annual growth bands, which make them ideal candidates for high-resolution δ18O sampling to produce sub-annual records of seawater temperature variation. While the good visual condition of these shells and the preservation of original aragonitic material suggests a high level of preservation suitable for isotopic analysis, subtle alteration of the original shell microstructures can still compromise the original isotopic signatures. Scanning electron microscopy (SEM) can be used to evaluate the preservation of these microstructures. This study compares methods for imaging L. larseni bivalve shells with SEM and seeks a consistent way to evaluate their various microstructures for evidence of diagenetic alteration. High-resolution ontogenetic isotopic sampling will also be conducted on several L. larseni shells, as roughly sinusoidal δ18O profiles are often an indication that the original isotopic signatures have been preserved.

Influence of functional groups on the C α-C β chain of L-phenylalanine and its derivatives

NASA Astrophysics Data System (ADS)

Ganesan, Aravindhan; Brunger, Michael; Wang, Feng

2010-07-01

L-phenylalanine ( L-phe) consists of three different functional groups, i.e., phenyl, carboxyl (-COOH) and amino (-NH 2), joining through the C α-C β bridge. Substitution of these groups produces 2-phenethylamine (PEA) and 3-phenylpropionic acid (PPA). Electronic structures of L-phe, PEA and PPA together with smaller "fragments" L-alanine and benzene were determined using density functional theory (DFT), from which core and valence shell ionization spectra were simulated. Comparison of the spectra reveals that core shell ionization energies clearly indicate that the carbon bridge is significantly affected by their functional group substitutions particularly at the C α site. In the valence space, quite unexpectedly, the frontier orbitals are concentrated on the benzene group although some energy splitting is observed. The orbitals which significantly affect the C α-C β carbon backbone are from the inner valence shell in the ionization energy region of 20-26 eV of the molecules.

78 FR 46331 - Biomass Research and Development Technical Advisory Committee

Federal Register 2010, 2011, 2012, 2013, 2014

2013-07-31

... DEPARTMENT OF ENERGY Biomass Research and Development Technical Advisory Committee AGENCY: Energy... Energy is soliciting nominations for candidates to fill vacancies on the Biomass Research and Development... INFORMATION: The Biomass Research and Development Act of 2000 (Biomass Act) [Pub. L. 106-224] requires...

76 FR 33773 - Navigation Safety Advisory Council; Vacancies

Federal Register 2010, 2011, 2012, 2013, 2014

2011-06-09

... advice and recommendations to the Secretary, Department of Homeland Security, through the Commandant of..., routing measures, marine information, diving safety, and aids to navigation systems. DATES: Applicants... 5 U.S.C. App. (Pub. L. 92-463). NAVSAC provides advice and recommendations to the Secretary, through...

Nearly temperature-independent ultraviolet light emission intensity of indirect excitons in hexagonal BN microcrystals

NASA Astrophysics Data System (ADS)

Chichibu, Shigefusa F.; Ishikawa, Youichi; Kominami, Hiroko; Hara, Kazuhiko

2018-02-01

The radiative performance of hexagonal boron nitride (h-BN) was assessed by the spatio-time-resolved luminescence measurements on its microcrystals (MCs) annealed in an O2 gas ambient. The MCs exhibited distinct deep ultraviolet luminescence peaks higher than 5.7 eV, although h-BN is an indirect bandgap semiconductor. The result indicates a strong interaction between the indirect excitons (iXs) and LO/TO (and LA/TA) phonons at T points of the Brillouin zone. Such phonon replicas of free iXs and a luminescence band at 4.0 eV showed negligible thermal quenching, most probably assisted by the strong excitonic effect, enhanced phonon scattering, and formation of a surface BxOy layer that prevents excitons from surface recombination by the thermal excitation. Conversely, the luminescence band between 5.1 and 5.7 eV, which seems to consist of LO/TO phonon replicas of iXs localized at a certain structural singularity that are further scattered by multiple TO phonons at K points and another two emission peaks that originate from the singularity, showed the thermal quenching. In analogy with GaN and AlGaN, cation vacancy complexes most likely act as native nonradiative recombination centers (NRCs). In the present case, vacancy complexes that contain a boron vacancy (VB), such as divacancies with a nitrogen vacancy (VN), VBVN, are certain to act as NRCs. In this instance, iXs delocalized from the singularity are likely either captured by NRCs or the origin of the 4.0 eV-band; the latter is assigned to originate from a carbon on the N site or a complex between VB and an oxygen on the N site.

Update on the diagnostic radiology employment market: findings through 2006-2007.

PubMed

Sunshine, Jonathan H; Maynard, C Douglas

2007-10-01

To describe the employment market for diagnostic radiologists in 2006-2007, with attention to differences among subspecialties. The authors conducted the most recent in a series of annual surveys of vacancies in academic departments and obtained data from the placement service of the American College of Radiology (ACR), its Professional Bureau, during its operation at the annual meeting of the Radiological Society of North America. The two data series were correlated. The percentage of academic vacancies in each subspecialty was compared with the percentage of academic radiologists in that subspecialty. Job listings per job seeker at the placement service, which serves both community and academic positions, were 0.72 for 2007 compared with approximately 1.1 to 1.2 for 2003 to 2006 and variation from 0.25 to 3.8 in the preceding decade. The correlation of the two data series was 0.84 (P = .08) for the 5 years for which both are available. Particularly high ratios of academic vacancies to academic radiologists were found for interventional radiology and breast imaging; particularly low ratios were found for neuroradiology and nuclear radiology. The job market remains very much intermediate between the highs and lows that have occurred since 1990, but finding highly desirable jobs is likely to be somewhat more difficult, and filling vacancies somewhat easier, in 2007 than in the past few years. Interventional radiology and breast imaging are the subspecialties in which academic positions are most difficult to fill; neuroradiology and nuclear radiology seem to be at the opposite end of the spectrum. The same differences across subspecialties are probably found in community practice, given the strong correlation of the two data series.

Mineralogical Plasticity Acts as a Compensatory Mechanism to the Impacts of Ocean Acidification.

PubMed

Leung, Jonathan Y S; Russell, Bayden D; Connell, Sean D

2017-03-07

Calcifying organisms are considered particularly susceptible to the future impacts of ocean acidification (OA), but recent evidence suggests that they may be able to maintain calcification and overall fitness. The underlying mechanism remains unclear but may be attributed to mineralogical plasticity, which modifies the energetic cost of calcification. To test the hypothesis that mineralogical plasticity enables the maintenance of shell growth and functionality under OA conditions, we assessed the biological performance of a gastropod (respiration rate, feeding rate, somatic growth, and shell growth of Austrocochlea constricta) and analyzed its shell mechanical and geochemical properties (shell hardness, elastic modulus, amorphous calcium carbonate, calcite to aragonite ratio, and magnesium to calcium ratio). Despite minor metabolic depression and no increase in feeding rate, shell growth was faster under OA conditions, probably due to increased precipitation of calcite and trade-offs against inner shell density. In addition, the resulting shell was functionally suitable for increasingly "corrosive" oceans, i.e., harder and less soluble shells. We conclude that mineralogical plasticity may act as a compensatory mechanism to maintain overall performance of calcifying organisms under OA conditions and could be a cornerstone of calcifying organisms to acclimate to and maintain their ecological functions in acidifying oceans.

Preparation and characterization of SiO2-coated submicron-sized L10 Fe-Pt particles

NASA Astrophysics Data System (ADS)

Hayashi, Yoshiaki; Ogawa, Tomoyuki; Ishiyama, Kazushi

2018-05-01

The development of magnets with higher performance is attracting increasing interest. The optimization of their microstructure is essential to enhance their properties, and a microstructure comprising magnetically isolated hard magnetic grains of a single-domain size has been proposed as an ideal structure for enhancing the coercivity of magnets. To obtain magnets with an ideal structure, we consider the fabrication of magnets by an approach based on core/shell nanoparticles with a hard magnetic core and a non-magnetic shell. In this study, to obtain particles for our proposed approach, we attempted to fabricate L10 Fe-Pt/SiO2-core/shell particles with submicron-sized cores less than the critical single-domain size. The fabrication of such core/shell particles was confirmed from morphology observations and XRD analysis of the particles. Although the formation of more desirable core/shell particles with submicron-sized single-crystal cores in the single-domain size range was not achieved, the fabricated core/shell particles showed a high coercivity of 25 kOe.

The role of convection in the buildup of the ring current pressure during the 17 March 2013 storm

NASA Astrophysics Data System (ADS)

Menz, A. M.; Kistler, L. M.; Mouikis, C. G.; Spence, H. E.; Skoug, R. M.; Funsten, H. O.; Larsen, B. A.; Mitchell, D. G.; Gkioulidou, M.

2017-01-01

On 17 March 2013, the Van Allen Probes measured the H+ and O+ fluxes of the ring current during a large geomagnetic storm. Detailed examination of the pressure buildup during the storm shows large differences in the pressure measured by the two spacecraft, with measurements separated by only an hour, and large differences in the pressure measured at different local times. In addition, while the H+ and O+ pressure contributions are about equal during the main phase in the near-Earth plasma sheet outside L = 5.5, the O+ pressure dominates at lower L values. We test whether adiabatic convective transport from the near-Earth plasma sheet (L > 5.5) to the inner magnetosphere can explain these observations by comparing the observed inner magnetospheric distributions with the source distribution at constant magnetic moment, mu. We find that adiabatic convection can account for the enhanced pressure observed during the storm. Using a Weimer 1996 electric field we model the drift trajectories to show that the key features can be explained by variation in the near-Earth plasma sheet population and particle access that changes with energy and L shell. Finally, we show that the dominance of O+ at low L shells is due partly to a near-Earth plasma sheet that is preferentially enhanced in O+ at lower energies (5-10 keV) and partly due to the time dependence in the source combined with longer drift times to low L shells. No source of O+ inside L = 5.5 is required to explain the observations at low L shells.

Modeling of the L-shell copper X-pinch plasma produced by the compact generator of Ecole polytechnique using pattern recognition

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

Larour, Jean; Aranchuk, Leonid E.; Danisman, Yusuf

2016-03-15

Principal component analysis is applied and compared with the line ratios of special Ne-like transitions for investigating the electron beam effects on the L-shell Cu synthetic spectra. The database for the principal component extraction is created over a non Local Thermodynamic Equilibrium (non-LTE) collisional radiative L-shell Copper model. The extracted principal components are used as a database for Artificial Neural Network in order to estimate the plasma electron temperature, density, and beam fractions from a representative time-integrated spatially resolved L-shell Cu X-pinch plasma spectrum. The spectrum is produced by the explosion of 25-μm Cu wires on a compact LC (40more » kV, 200 kA, and 200 ns) generator. The modeled plasma electron temperatures are about T{sub e} ∼ 150 eV and N{sub e} = 5 × 10{sup 19} cm{sup −3} in the presence of the fraction of the beams with f ∼ 0.05 and a centered energy of ∼10 keV.« less

Aqueous phase adsorption of cephalexin by walnut shell-based activated carbon: A fixed-bed column study

NASA Astrophysics Data System (ADS)

Nazari, Ghadir; Abolghasemi, Hossein; Esmaieli, Mohamad; Sadeghi Pouya, Ehsan

2016-07-01

The walnut shell was used as a low cost adsorbent to produce activated carbon (AC) for the removal of cephalexin (CFX) from aqueous solution. A fixed-bed column adsorption was carried out using the walnut shell AC. The effect of various parameters like bed height (1.5, 2 and 2.5 cm), flow rate (4.5, 6 and 7.5 mL/min) and initial CFX concentration (50, 100 and 150 mg/L) on the breakthrough characteristics of the adsorption system was investigated at optimum pH 6.5. The highest bed capacity of 211.78 mg/g was obtained using 100 mg/L inlet drug concentration, 2 cm bed height and 4.5 mL/min flow rate. Three kinetic models, namely Adam's-Bohart, Thomas and Yoon-Nelson were applied for analysis of experimental data. The Thomas and Yoon-Nelson models were appropriate for walnut shell AC column design under various conditions. The experimental adsorption capacity values were fitted to the Bangham and intra-particle diffusion models in order to propose adsorption mechanisms. The effect of temperature on the degradation of CFX was also studied.

Doublet-spacing enhancement caused by {Lambda}N-{Sigma}N coupling in {sub {Lambda}L}i hypernuclear isotopes

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

Umeya, Atsushi; Harada, Toru; Research Center for Physics and Mathematics, Osaka Electro-Communication University, Neyagawa, Osaka 572-8530

2011-03-15

We theoretically investigate energy spacings of doublets in {sub {Lambda}L}i hypernuclear isotopes with A=7-10 in shell-model calculations with a {Lambda}N-{Sigma}N coupling effect. The calculated results show that the energy shifts are {Delta}{epsilon}=0.09-0.28 MeV and the {Sigma}-mixing probabilities are P{sub {Sigma}}=0.10%-0.34% in {Lambda} ground states for the isotopes because of the {Lambda}N-{Sigma}N coupling in the first-order perturbation. It is found that the energy spacing of the doublet is enhanced as a neutron number N increases; the contribution of the {Lambda}N-{Sigma}N coupling interaction is comparable to that of the {Lambda}N interaction in the neutron-rich {Lambda} hypernuclei. The coherent mechanism of this doublet-spacingmore » enhancement is also discussed in terms of Fermi-type and Gamow-Teller-type {Lambda}N-{Sigma}N couplings.« less

Mechanisms of Pb(II) sorption on a biogenic manganese oxide.

PubMed

Villalobos, Mario; Bargar, John; Sposito, Garrison

2005-01-15

Macroscopic Pb(II) uptake experiments and Pb L3-edge extended X-ray absorption fine structure (EXAFS) spectroscopy were combined to examine the mechanisms of Pb(II) sequestration by a biogenic manganese oxide and its synthetic analogues, all of which are layer-type manganese oxides (phyllomanganates). Relatively fast Pb(II) sorption was observed, as well as extremely high sorption capacities, suggesting Pb incorporation into the structure of the oxides. EXAFS analysis revealed similar uptake mechanisms regardless of the specific nature of the phyllomanganate, electrolyte background, total Pb(II) loading, or equilibration time. One Pb-O and two Pb-Mn shells at distances of 2.30, 3.53, and 3.74 A, respectively, were found, as well as a linear relationship between Brunauer-Emmett-Teller (BET; i.e., external) specific surface area and maximum Pb(II) sorption that also encompassed data from previous work. Both observations support the existence of two bonding mechanisms in Pb(II) sorption: a triple-corner-sharing complex in the interlayers above/ below cationic sheet vacancies (N theoretical = 6), and a double-corner-sharing complex on particle edges at exposed singly coordinated -O(H) bonds (N theoretical = 2). General prevalence of external over internal sorption is predicted, but the two simultaneous sorption mechanisms can account for the widely noted high affinity of manganese oxides for Pb(ll) in natural environments.

Analysis of the IRAS Low Resolution Spectra

DTIC Science & Technology

1988-04-01

WITH EU ANDROMEDAE : A CARBON 33 STAR NEAR AN OXYGEN-RICH CIRCUMSTELLAR SHELL (AP J COPYRIGHT - BENSON WORKED AT WELLESLEY COLL., WHILE LITTLE-MARENIN...OR AFGL MONEY) G. MASERS ASSOCIATED WITH TWO CARBON STARS: V778 CYGNI 71 AND EU ANDROMEDAE (ACCEPTED BY AP J FOR PUBLICATION 15 JUL 88; TWO NON...I.R. 1987, "A Water Maser Associated with EU Andromedae . A Carbon Star Near an Oxygen-Rich Circumstcllar Shell," Ap. J. (Letterc), 316, L37-L40. l

Magnetic spherical cores partly coated with periodic mesoporous organosilica single crystals.

PubMed

Li, Jing; Wei, Yong; Li, Wei; Deng, Yonghui; Zhao, Dongyuan

2012-03-07

Core-shell structured materials are of special significance in various applications. Until now, most reported core-shell structures have polycrystalline or amorphous coatings as their shell layers, with popular morphologies of microspheres or quasi-spheres. However, the single crystals, either mesoscale or atomic ones, are still rarely reported as shell layers. If single crystals can be coated on core materials, it would result in a range of new type core-shell structures with various morphologies, and probably more potential applications. In this work, we demonstrate that periodic mesoporous organosilica (PMO) single crystals can partly grow on magnetic microspheres to form incomplete Fe(3)O(4)@nSiO(2)@PMO core-shell materials in aqueous solution, which indeed is the first illustration that mesoporous single-crystal materials can be used as shell layers for preparation of core-shell materials. The achieved materials have advantages of high specific surface areas, good magnetic responses, embedded functional groups and cubic mesopore channels, which might provide them with various application conveniences. We suppose the partial growth is largely decided by the competition between growing tendency of single crystals and the resistances to this tendency. In principle, other single crystals, including a range of atomic single crystals, such as zeolites, are able to be developed into such core-shell structures.

Shell structure and distribution of Cloudina, a potential index fossil for the terminal Proterozoic

NASA Technical Reports Server (NTRS)

Grant, S. W.; Knoll, A. H. (Principal Investigator)

1990-01-01

Cloudina-bearing biosparites and biomicrites in the lower part of the Nama Group, Namibia, contain a wide morphological diversity of shell fragments that can all be attributed to the two named species C. hartmannae and C. riemkeae. The curved to sinuous tubular shells of Cloudina were multi-layered. Each shell layer was 8 to 50 micrometers thick and in the form of a slightly flaring tube with one end open and the other closed. Growth appears to have been periodic with successive shell layers forming within older layers. Each added layer was slightly elevated from the previous layer at the proximal end and was asymmetrically placed within the older layer so that only a portion of the new shell layer was fused to the previous layer. This type of growth left a relatively large unminerialized area between the shell layers which was often partially or fully occluded by early marine cements. The thin shell layers exhibit both plastic and brittle deformation and were likely formed of a rigid CaCO3-impregnated organic-rich material. Often the shell layers are preferentially dolomitized suggesting an original mineralogy of high-magnesian calcite. Both species in the Nama Group formed thickets, or perhaps bioherms, and this sedentary and gregarious habit suggests that Cloudina was probably a filter-feeding metazoan of at least a cnidarian grade of organization. The unusual shell structure of Cloudina gives rise to a characteristic suite of taphonomic and diagenetic features that can be used to identify Cloudina-bearing deposits within the Nama Group and in other terminal Proterozoic deposits around the world. Species of Cloudina occur in limestones from Brazil, Spain, China, and Oman in sequences consistent with a latest Proterozoic age assignment. In addition, supposed lower Cambrian, pre-trilobitic, shelly fossils from northwest Mexico and the White-Inyo Mountains in California and Nevada, including Sinotubulites, Nevadatubulus, and Wyattia, are all either closely related to or con-generic with Cloudina. Hence, it is probable that these outcrops are latest Proterozoic in age, and that Cloudina or Cloudina-like organisms were widely distributed at that time. It is possible, moreover, to suggest that metazoan biomineralization occurred on a global scale by the latest Proterozoic, at the same time that evidence for complex multicellularity and locomotion in animals appears in siliciclastic "Ediacaran" rocks in the form of body and trace fossils.

Density vs. disease: Crustaceans in a temperate marine protected area

NASA Astrophysics Data System (ADS)

Davies, C. E.; Johnson, A. F.; Wootton, E. C.; Greenwood, S.; Clark, K. F.; Vogan, C. L.; Rowley, A. F.

2016-02-01

Since the move towards an ecosystem-based approach in fisheries management, marine protected areas (MPAs) have become increasingly popular. Implementation, however, is somewhat contentious and as a result of their short history, effects are still widely unknown and understudied. Here, we investigated the health of brown crab Cancer pagurus and European lobster Homarus gammarus populations in the Lundy Island MPA after 7 years of no-take protection. Population parameters (size, sex, abundance), disease (shell disease, Hematodinium spp., gaffkaemia) and injury presence (a known precursor to disease) were assessed over two years in both an un-fished no-take zone (NTZ) and a fished refuge zone (RZ). There was a higher lobster density and larger lobsters in the NTZ compared with the RZ, but an opposite trend for crabs. The probability of shell disease increased notably in lobsters over the minimum landing size (MLS), in those displaying injury, and in males. Injury presence was higher in lobsters in the NTZ compared with the RZ and in those above the MLS. Gaffkaemia was detected in <1% of lobsters. The number of injured crabs increased significantly over the two years surveyed (12%), as did the prevalence of shell disease (15%). The probability of shell disease increased significantly for male crabs and for those missing limbs. Crabs below the MLS had an increased probability of being injured. Overall, the study demonstrates both positive and potentially negative effects of long-term NTZs. Recovering populations in NTZs may be more susceptible to disease as a result of increased injury through density-dependent interaction. This in turn may lead to increased disease infection. The findings highlight the necessity for long-term MPA management to include monitoring of population abundance, as well as secondary community change effects such as disease increase, both before and after implementation.

Air-kerma strength determination of a miniature x-ray source for brachytherapy applications

NASA Astrophysics Data System (ADS)

Davis, Stephen D.

A miniature x-ray source has been developed by Xoft Inc. for high dose-rate brachytherapy treatments. The source is contained in a 5.4 mm diameter water-cooling catheter. The source voltage can be adjusted from 40 kV to 50 kV and the beam current is adjustable up to 300 muA. Electrons are accelerated toward a tungsten-coated anode to produce a lightly-filtered bremsstrahlung photon spectrum. The sources were initially used for early-stage breast cancer treatment using a balloon applicator. More recently, Xoft Inc. has developed vaginal and surface applicators. The miniature x-ray sources have been characterized using a modification of the American Association of Physicists in Medicine Task Group No. 43 formalism normally used for radioactive brachytherapy sources. Primary measurements of air kerma were performed using free-air ionization chambers at the University of Wisconsin (UW) and the National Institute of Standards and Technology (NIST). The measurements at UW were used to calibrate a well-type ionization chamber for clinical verification of source strength. Accurate knowledge of the emitted photon spectrum was necessary to calculate the corrections required to determine air-kerma strength, defined in vacuo. Theoretical predictions of the photon spectrum were calculated using three separate Monte Carlo codes: MCNP5, EGSnrc, and PENELOPE. Each code used different implementations of the underlying radiological physics. Benchmark studies were performed to investigate these differences in detail. The most important variation among the codes was found to be the calculation of fluorescence photon production following electron-induced vacancies in the L shell of tungsten atoms. The low-energy tungsten L-shell fluorescence photons have little clinical significance at the treatment distance, but could have a large impact on air-kerma measurements. Calculated photon spectra were compared to spectra measured with high-purity germanium spectroscopy systems at both UW and NIST. The effects of escaped germanium fluorescence photons and Compton-scattered photons were taken into account for the UW measurements. The photon spectrum calculated using the PENELOPE Monte Carlo code had the best agreement with the spectrum measured at NIST. Corrections were applied to the free-air chamber measurements to arrive at an air-kerma strength determination for the miniature x-ray sources.

7 CFR 319.56-62 - Fresh beans, shelled or in pods, from Jordan.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 7 Agriculture 5 2014-01-01 2014-01-01 false Fresh beans, shelled or in pods, from Jordan. 319.56... Vegetables § 319.56-62 Fresh beans, shelled or in pods, from Jordan. Fresh beans (Phaseolus vulgaris L... Spodoptera littoralis. (a) Packinghouse requirements. The beans must be packed in packing facilities that are...

The sedimentation properties of ferritins. New insights and analysis of methods of nanoparticle preparation

PubMed Central

May, Carrie A.; Grady, John K.; Laue, Thomas M.; Poli, Maura; Arosio, Paolo; Chasteen, N. Dennis

2010-01-01

Background Ferritin exhibits complex behavior in the ultracentrifuge due to variability in iron core size among molecules. A comprehensive study was undertaken to develop procedures for obtaining more uniform cores and assessing their homogeneity. Methods Analytical ultracentrifugation was used to measure the mineral core size distributions obtained by adding iron under high- and low-flux conditions to horse spleen (apoHoSF) and human H-chain (apoHuHF) apoferritins. Results More uniform core sizes are obtained with the homopolymer human H-chain ferritin than with the heteropolymer horse spleen HoSF protein in which subpopulations of HoSF molecules with varying iron content are observed. A binomial probability distribution of H- and L-subunits among protein shells qualitatively accounts for the observed subpopulations. The addition of Fe2+ to apoHuHF produces iron core particle size diameters from 3.8 ± 0.3 to 6.2 ± 0.3 nm. Diameters from 3.4 ± 0.6 to 6.5 ± 0.6 nm are obtained with natural HoSF after sucrose gradient fractionation. The change in the sedimentation coefficient as iron accumulates in ferritin suggests that the protein shell contracts ~10% to a more compact structure, a finding consistent with published electron micrographs. The physicochemical parameters for apoHoSF (15%/85% H/L subunits) are M = 484,120 g/mol, ν̄ = 0.735mL/g, s20,w = 17.0 S and D20,W = 3.21 × 10−7 cm2/s; and for apoHuHF M = 506,266 g/mol, ν̄ = 0.724 mL/g, s20,w = 18.3 S and D20,w = 3.18 × 10−7 cm2/s. Significance The methods presented here should prove useful in the synthesis of size controlled nanoparticles of other minerals. PMID:20307627

Measurements of Rayleigh, Compton and resonant Raman scattering cross-sections for 59.536 keV γ-rays

NASA Astrophysics Data System (ADS)

Singh, Prem; Mehta, D.; Singh, N.; Puri, S.; Shahi, J. S.

2004-09-01

The K-L and K-M resonant Raman scattering (RRS) cross-sections have been measured for the first time at the 59.536 keV photon energy in the 70Yb ( BK=61.332 keV), 71Lu ( BK=63.316 keV) and 72Hf ( BK=65.345 keV) elements; BK being the K-shell binding energy. The K-L and K-M RRS measurements have been performed at the 59° and 133° angles, respectively, to avoid interference of the Compton-scatter peak. The Rayleigh and Compton scattering cross-sections for the 59.536 keV γ-rays have also been measured at both the angles in the atomic region 1⩽ Z⩽92. Measurements were performed using the reflection-mode geometrical arrangements involving the 241Am radioisotope as photon source and planar Si(Li) and HPGe detectors. Ratios of the K-M and K-L RRS cross-sections in Yb, Lu and Hf are in general lower than that of the fluorescent Kβ 1,3,5 (K-M) and Kα (K-L) X-ray transition probabilities. Theoretical Rayleigh scattering cross-sections based on the modified form-factors (MFs) corrected for the anomalous scattering factors (ASFs) and the S-matrix calculations are on an average ˜15% and ˜6% higher, respectively, at the 133° angle and exhibit good agreement with the measured data at the 59° angle. Larger deviations ˜30% and ˜20%, respectively, are observed at the 133° angle for the 64Gd, 66Dy, 67Ho and 70Yb elements having the K-shell binding energy in vicinity of the incident photon energy. The measured Compton scattering cross-sections are in general agreement with those calculated using the Klein-Nishina cross-sections and the incoherent scattering function.

Radiative one- and two-electron transitions into the empty K shell of He-like ions

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

Kadrekar, Riddhi; Natarajan, L.

2011-12-15

The branching ratios between the single and double electron radiative transitions to empty K shell in He-like ions with 2s2p configuration are evaluated for 15 ions with 4{<=}Z{<=}26 using fully relativistic multiconfiguration Dirac-Fock wavefunctions in the active space approximation. The effects of configuration interaction and Breit contributions on the transition parameters have been analyzed in detail. Though the influence of Breit interaction on the electric dipole allowed one-electron radiative transitions is negligible, it substantially changes the spin-forbidden rates and the two-electron one-photon transition probabilities. Also, while the single electron transition rates are gauge independent, the correlated double-electron probabilities are foundmore » to be gauge sensitive. The probable uncertainties in the computed transition rates have been evaluated by considering the line strengths and the differences between the calculated and experimental transition energies as accuracy indicators. The present results are compared with other available experimental and theoretical data.« less

Systematic Evaluation of Low-Frequency Hiss and Energetic Electron Injections

DOE PAGES

Shi, Run; Li, Wen; Ma, Qianli; ...

2017-10-05

Here, the excitation of low-frequency (LF) plasmaspheric hiss, over the frequency range from 20 Hz to 100 Hz, is systematically investigated by comparing the hiss wave properties with electron injections at energies from tens of keV to several hundreds of keV. Both particle and wave data from the Van Allen Probes during the period from September 2012 to June 2016 are used in the present study. Our results demonstrate that the intensity of LF hiss has a clear day-night asymmetry, and increases with increasing geomagnetic activity, similar to the behavior of normal hiss (approximately hundred of hertz to several kilohertz).more » The occurrence rate of LF hiss in association with electron injections is up to 80% in the outer plasmasphere ( L > 4) on the dayside, and the strong correlation extends to lower L shells for more active times. In contrast, at lower L shells ( L < 3.5), LF hiss is seldom associated with electron injections. The LF hiss with Poynting flux directed away from the equator is dominant at higher magnetic latitudes and higher L shells, suggesting a local amplification of LF hiss in the outer plasmasphere. The averaged electron fluxes are larger at higher L shells, where significant LF hiss wave events are observed. Our study suggests the importance of electron injections and their drift trajectories toward the dayside plasmasphere in locally amplifying the LF hiss waves detected by the Van Allen Probes.« less

Systematic Evaluation of Low-Frequency Hiss and Energetic Electron Injections

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

Shi, Run; Li, Wen; Ma, Qianli

Here, the excitation of low-frequency (LF) plasmaspheric hiss, over the frequency range from 20 Hz to 100 Hz, is systematically investigated by comparing the hiss wave properties with electron injections at energies from tens of keV to several hundreds of keV. Both particle and wave data from the Van Allen Probes during the period from September 2012 to June 2016 are used in the present study. Our results demonstrate that the intensity of LF hiss has a clear day-night asymmetry, and increases with increasing geomagnetic activity, similar to the behavior of normal hiss (approximately hundred of hertz to several kilohertz).more » The occurrence rate of LF hiss in association with electron injections is up to 80% in the outer plasmasphere ( L > 4) on the dayside, and the strong correlation extends to lower L shells for more active times. In contrast, at lower L shells ( L < 3.5), LF hiss is seldom associated with electron injections. The LF hiss with Poynting flux directed away from the equator is dominant at higher magnetic latitudes and higher L shells, suggesting a local amplification of LF hiss in the outer plasmasphere. The averaged electron fluxes are larger at higher L shells, where significant LF hiss wave events are observed. Our study suggests the importance of electron injections and their drift trajectories toward the dayside plasmasphere in locally amplifying the LF hiss waves detected by the Van Allen Probes.« less

The characteristic pitch angle distributions of 1 eV to 600 keV protons near the equator based on Van Allen Probes observations

NASA Astrophysics Data System (ADS)

Yue, C.; Bortnik, J.; Thorne, R. M.; Ma, Q.; An, X.; Chappell, C. R.; Gerrard, A. J.; Lanzerotti, L. J.; Shi, Q.

2017-12-01

Understanding the source and loss processes of various plasma populations is greatly aided by having accurate knowledge of their pitch angle distributions (PADs). Here, we statistically analyze 1 eV to 600 keV hydrogen (H+) PADs near the geomagnetic equator in the inner magnetosphere based on Van Allen Probes measurements, to comprehensively investigate how the H+ PADs vary with different energies, magnetic local times (MLTs), L-shells, and geomagnetic conditions. Our survey clearly indicates four distinct populations with different PADs: (1) a pancake distribution of the plasmaspheric H+ at low L-shells except for dawn sector; (2) a bi-directional field-aligned distribution of the warm plasma cloak; (3) pancake or isotropic distributions of ring current H+; (4) radiation belt particles show pancake, butterfly and isotropic distributions depending on their energy, MLT and L-shell. Meanwhile, the pancake distribution of ring current H+ moves to lower energies as L-shell increases which is primarily caused by adiabatic transport. Furthermore, energetic H+ (> 10 keV) PADs become more isotropic following the substorm injections, indicating wave-particle interactions. The radiation belt H+ butterfly distributions are identified in a narrow energy range of 100 < E < 400 keV at large L (L > 5), which are less significant during quiet times and extend from dusk to dawn sector through midnight during substorms. The different PADs near the equator provide clues of the underlying physical processes that produce the dynamics of these different populations.

Systematic shell-model study of β -decay properties and Gamow-Teller strength distributions in A ≈40 neutron-rich nuclei

NASA Astrophysics Data System (ADS)

Yoshida, Sota; Utsuno, Yutaka; Shimizu, Noritaka; Otsuka, Takaharu

2018-05-01

We perform large-scale shell-model calculations of β -decay properties for neutron-rich nuclei with 13 ≤Z ≤18 and 22 ≤N ≤34 , taking the first-forbidden transitions into account. The natural-parity and unnatural-parity states are calculated in the 0 ℏ ω and 1 ℏ ω model spaces, respectively, within the full s d +p f +s d g valence shell. The calculated β -decay half-lives and β -delayed neutron emission probabilities show good agreement with the experimental data. The first-forbidden transitions make a non-negligible contribution to the half-lives of N ≳28 nuclei. The low-lying Gamow-Teller strengths of even-even nuclei are considerably larger than those of the neighboring odd-A and odd-odd nuclei, strongly affecting the half-lives and neutron emission probabilities. It is shown that this even-odd effect is caused by the Jπ=1+ proton-neutron pairing interaction. We derive a formula to represent the positions of the Gamow-Teller giant resonances from the calculated strength distributions.

Geometric and electronic structures of monolayer hexagonal boron nitride with multi-vacancy

NASA Astrophysics Data System (ADS)

Kim, Do-Hyun; Kim, Hag-Soo; Song, Min Woo; Lee, Seunghyun; Lee, Sang Yun

2017-05-01

Hexagonal boron nitride (h-BN) is an electrical insulator with a large band gap of 5 eV and a good thermal conductor of which melting point reaches about 3000 °C. Due to these properties, much attention was given to the thermal stability rather than the electrical properties of h-BN experimentally and theoretically. In this study, we report calculations that the electronic structure of monolayer h-BN can be influenced by the presence of a vacancy defect which leads to a geometric deformation in the hexagonal lattice structure. The vacancy was varied from mono- to tri-vacancy in a supercell, and different defective structures under the same vacancy density were considered in the case of an odd number of vacancies. Consequently, all cases of vacancy defects resulted in a geometric distortion in monolayer h-BN, and new energy states were created between valence and conduction band with the Fermi level shift. Notably, B atoms around vacancies attracted one another while repulsion happened between N atoms around vacancies, irrespective of vacancy density. The calculation of formation energy revealed that multi-vacancy including more B-vacancies has much lower formation energy than vacancies with more N-vacancies. This work suggests that multi-vacancy created in monolayer h-BN will have more B-vacancies and that the presence of multi-vacancy can make monolayer h-BN electrically conductive by the new energy states and the Fermi level shift.

Geometric and electronic structures of monolayer hexagonal boron nitride with multi-vacancy.

PubMed

Kim, Do-Hyun; Kim, Hag-Soo; Song, Min Woo; Lee, Seunghyun; Lee, Sang Yun

2017-01-01

Hexagonal boron nitride (h-BN) is an electrical insulator with a large band gap of 5 eV and a good thermal conductor of which melting point reaches about 3000 °C. Due to these properties, much attention was given to the thermal stability rather than the electrical properties of h-BN experimentally and theoretically. In this study, we report calculations that the electronic structure of monolayer h-BN can be influenced by the presence of a vacancy defect which leads to a geometric deformation in the hexagonal lattice structure. The vacancy was varied from mono- to tri-vacancy in a supercell, and different defective structures under the same vacancy density were considered in the case of an odd number of vacancies. Consequently, all cases of vacancy defects resulted in a geometric distortion in monolayer h-BN, and new energy states were created between valence and conduction band with the Fermi level shift. Notably, B atoms around vacancies attracted one another while repulsion happened between N atoms around vacancies, irrespective of vacancy density. The calculation of formation energy revealed that multi-vacancy including more B-vacancies has much lower formation energy than vacancies with more N-vacancies. This work suggests that multi-vacancy created in monolayer h-BN will have more B-vacancies and that the presence of multi-vacancy can make monolayer h-BN electrically conductive by the new energy states and the Fermi level shift.

Dynamo Scaling Laws for Uranus and Neptune: The Role of Convective Shell Thickness on Dipolarity

NASA Astrophysics Data System (ADS)

Stanley, Sabine; Yunsheng Tian, Bob

2017-10-01

Previous dynamo scaling law studies (Christensen and Aubert, 2006) have demonstrated that the morphology of a planet’s magnetic field is determined by the local Rossby number (Ro_l): a non-dimensional diagnostic variable that quantifies the ratio of inertial forces to Coriolis forces on the average length scale of the flow. Dynamos with Ro_l <~ 0.1 produce dipolar dominated magnetic fields whereas dynamos with Ro_l >~ 0.1 produce multipolar magnetic fields. Scaling studies have also determined the dependence of the local Rossby number on non-dimensional parameters governing the system - specifically the Ekman, Prandtl, magnetic Prandtl and flux-based Rayleigh numbers (Olson and Christensen, 2006). When these scaling laws are applied to the planets, it appears that Uranus and Neptune should have dipole-dominated fields, contrary to observations. However, those scaling laws were derived using the specific convective shell thickness of the Earth’s core. Here we investigate the role of convective shell thickness on dynamo scaling laws. We find that the local Rossby number depends exponentially on the convective shell thickness. Including this new dependence on convective shell thickness, we find that the dynamo scaling laws now predict that Uranus and Neptune reside deeply in the multipolar regime, thereby resolving the previous contradiction with observations.

Magnetic Field Sensing with Nitrogen-Vacancy Color Centers in Diamond

DTIC Science & Technology

2013-05-01

8217d from r.haracteristic time of the der.ay enwlop<’. as shown in Figm<’ 1.7(b). For an ensemble of NV centers , inhomogeneities stemming from the...Backgnmnd a initialization detection optical _.J:.D ____. __________ __._n....__ b 350 "E 300 ~ 250 (jj §, 200 Cll Ŕ 150 l!l ~ 100 ~ 50 0...Free Precession Time-r (J.IS) II) ---(ij c .2’ (/) Cll (J c :!l e 0 ::J u: 0 0.5 15 2 Static Magnetic Field B (G) Figurr A. 2

Efficient creation of dipolar coupled nitrogen-vacancy spin qubits in diamond

NASA Astrophysics Data System (ADS)

Jakobi, I.; Momenzadeh, S. A.; Fávaro de Oliveira, F.; Michl, J.; Ziem, F.; Schreck, M.; Neumann, P.; Denisenko, A.; Wrachtrup, J.

2016-09-01

Coherently coupled pairs or multimers of nitrogen-vacancy defect electron spins in diamond have many promising applications especially in quantum information processing (QIP) but also in nanoscale sensing applications. Scalable registers of spin qubits are essential to the progress of QIP. Ion implantation is the only known technique able to produce defect pairs close enough to allow spin coupling via dipolar interaction. Although several competing methods have been proposed to increase the resulting resolution of ion implantation, the reliable creation of working registers is still to be demonstrated. The current limitation are residual radiation-induced defects, resulting in degraded qubit performance as trade-off for positioning accuracy. Here we present an optimized estimation of nanomask implantation parameters that are most likely to produce interacting qubits under standard conditions. We apply our findings to a well-established technique, namely masks written in electron-beam lithography, to create coupled defect pairs with a reasonable probability. Furthermore, we investigate the scaling behavior and necessary improvements to efficiently engineer interacting spin architectures.

A new model for in situ nitrogen incorporation into 4H-SiC during epitaxy

PubMed Central

Ferro, Gabriel; Chaussende, Didier

2017-01-01

Nitrogen doping of 4H-SiC during vapor phase epitaxy is still lacking of a general model explaining the apparently contradictory trends obtained by different teams. In this paper, the evolutions of nitrogen incorporation (on both polar Si and C faces) as a function of the main growth parameters (C/Si ratio, temperature, pressure and growth rate) are reviewed and explained using a model based on surface exchanges between the gas phase and the uppermost 4H-SiC atomic layers. In this model, N incorporation is driven mainly by the transient formation of C vacancies, due to H2 etching, at the surface or near the surface. It is shown that all the growth parameters are influencing the probability of C vacancies formation in a similar manner as they do for N incorporation. The surface exchange model proposes a new framework for explaining the experimental results even beyond the commonly accepted reactor type dependency. PMID:28211528

Role of Defects and Adsorbed Water Film in Influencing the Electrical, Optical and Catalytic Properties of Transition Metal Oxides

NASA Astrophysics Data System (ADS)

Wang, Qi

Transition metal oxides (TMOs) constitute a large group of materials that exhibit a wide range of optical, electrical, electrochemical, dielectric and catalytic properties, and thus making them highly regarded as promising materials for a variety of applications in next generation electronic, optoelectronic, catalytic, photonic, energy storage and energy conversion devices. Some of the unique properties of TMOs are their strong electron-electron correlations that exists between the valence electrons of narrow d- or f-shells and their ability to exist in variety of oxidation states. This gives TMOs an enormous range of fascinating electronic and other physical properties. Many of these remarkable properties of TMOs arises from the complex surface charge transfer processes at the oxide surface/electrochemical redox species interface and non-stoichiometry due to the presence of lattice vacancies that may cause significant perturbation to the electronic structure of the material. Stoichiometry, oxidation state of the metal center and lattice vacancy defects all play important roles in affecting the physical properties, electronic structures, device behavior and other functional properties of TMOs. However, the underlying relationships between them is not clearly known. For instance, the exchange of electrons between adsorbates and defects can lead to the passivation of existing defect states or formation of new defects, both of which affect defect equilibria, and consequently, functional properties. In depth understanding of the role of lattice defects on the electrical, catalytic and optical properties of TMOs is central to further expansion of the technological applications of TMO based devices. The focus of this work is to elucidate the interactions of vacancy defects with various electrochemical adsorbates in TMOs. The ability to directly probe the interactions of vacancy defects with gas and liquid phase species under in-operando conditions is highly desirable to obtain a mechanistic understanding of the charge transfer process. We have developed a spectroscopic technique for studying vacancy defects in TMOs using near-infrared photoluminescence (NIR-PL) spectroscopy and showed that this technique is uniquely suited for studying defect-adsorbate interactions. In this work, a series of studies were carried out to elucidate the underlying structure-defect-property correlations of TMOs and their role in catalyzing electrical and electrochemical properties. In the first study, we report a new type of electrical phase transition in p-type, non-stoichiometric nickel oxide involving a semiconductor-to-insulator-to-metal transition along with the complete change of conductivity from p- to n-type at room temperature induced by electrochemical Li+ intercalation. Direct observation of vacancy-ion interactions using in-situ NIR-PL show that the transition is a result of passivation of native nickel (cationic) vacancy defects and subsequent formation of oxygen (anionic) vacancy defects driven by Li+ insertion into the lattice. X-ray photoemission spectroscopy studies performed to examine the changes in the oxidation states of nickel due to defect interactions support the above conclusions. In the second study, main effects of oxygen vacancy defects on the electronic and optical properties of V2O5 nanowires were studied using in-situ Raman, photoluminescence, absorption, and photoemission spectroscopy. We show that both thermal reduction and electrochemical reduction via Li+ insertion results in the creation of oxygen vacancy defects in the crystal that leads to band filling and an increase in the optical band gap of V2O5 from 1.95 eV to 2.45 eV, an effect known as the Burstein-Moss effect. In the third study, we report a new type of semiconductor-adsorbed water interaction in metal oxides known as "electrochemical surface transfer doping," a phenomenon that has been previously been observed on hydrogen-terminated diamond, carbon nanotube, gallium nitride and zinc oxide. Most TMOs at room temperature are known to be strongly hydrated. We show that an adsorbed water film present on the surface of TMOs facilitates the dissolution of gaseous species and promotes charge transfers at the adsorbed-water/oxide interfaces. Further, we show the role of vacancy defects in enhancing catalytic processes by directly monitoring the charge transfer process between gaseous species and vacancy defects in non-stoichiometric p-type nickel oxide and n-type tungsten oxide using in-situ NIR-PL, electrical resistance, and X-ray photoelectron spectroscopy. We find the importance of adsorbed water and vacancy defects in affecting catalytic, electronic, electrical, and optical changes such as insulator-to-metal transitions and radiative emissions during electrochemical reactions. In addition, we demonstrate that electrochemical surface transfer doping exists in another system, specifically, in gallium nitride, and the presence of this adsorbed water film present on the surface of GaN induces electron transfer from GaN that leads to the formation of an electron depletion region on the surface.

Estimates of Heritability for Growth and Shell Color Traits and Their Genetic Correlations in the Black Shell Strain of Pacific Oyster Crassostrea gigas.

PubMed

Xu, Lan; Li, Qi; Yu, Hong; Kong, Lingfeng

2017-10-01

The Pacific oyster Crassostrea gigas has been introduced widely and massively and became an economically important aquaculture species on a global scale. We estimated heritabilities of growth and shell color traits and their genetic correlations in black shell strain of C. gigas. Analyses were performed on 22 full-sib families in a nested mating design including 410 individuals at harvest (24 months of age). The parentage assignment was inferred based on four panels of multiplex PCR markers including 10 microsatellite loci and 94.9% of the offspring were unambiguously assigned to single parent pairs. The Spearman correlation test (r = - 0.992, P < 0.001) demonstrated the high consistency of the shell pigmentation (SP) and L* and their same efficacy in shell color measurements. The narrow-sense heritability estimated under the animal model analysis was 0.18 ± 0.12 for shell height, 0.25 ± 0.16 for shell length, 0.10 ± 0.09 for shell width, 0.42 ± 0.20 for total weight, 0.32 ± 0.18 for shell weight, and 0.68 ± 0.16 for L*, 0.69 ± 0.16 for shell pigmentation, respectively. The considerable additive genetic variation in growth and shell color traits will make it feasible to produce genetic improvements for these traits in selective breeding program. High genetic and phenotypic correlations were found among growth traits and among shell color traits. To optimize a selection strategy for both fast growth and pure dark shell strain of C. gigas, it is proposed to take both total weight and black shell as joint objective traits in selective breeding program. Our study offers an important reference in the process of selective breeding in black shell color stain of C. gigas and will facilitate to develop favorable breeding strategies of genetic improvements for this economically important strain.

75 FR 10300 - South Texas Area Maritime Security (STAMS) Committee; Vacancies

Federal Register 2010, 2011, 2012, 2013, 2014

2010-03-05

... DEPARTMENT OF HOMELAND SECURITY Coast Guard [USCG-2010-0074] South Texas Area Maritime Security... notice requests individuals interested in serving on the South Texas Area Maritime Security (STAMS... Section 102 of the Maritime Transportation Security Act (MTSA) of 2002 (Pub. L. 107-295) added section...

Unambiguous observation of F-atom core-hole localization in CF 4 through body-frame photoelectron angular distributions

DOE PAGES

McCurdy, C. W.; Rescigno, T. N.; Trevisan, C. S.; ...

2017-01-17

A dramatic symmetry breaking in K-shell photoionization of the CF 4 molecule in which a core-hole vacancy is created in one of four equivalent fluorine atoms is displayed in the molecular frame angular distribution of the photoelectrons. In observing the photoejected electron in coincidence with an F + atomic ion after Auger decay we see how selecting the dissociation path where the core hole was localized was almost exclusively on that atom. A combination of measurements and ab initio calculations of the photoelectron angular distribution in the frame of the recoiling CF 3 + and F + atoms elucidates themore » underlying physics that derives from the Ne-like valence structure of the F(1s -1) core-excited atom.« less

Platinum-Based Nanocages with Subnanometer-Thick Walls and Well-Defined Facets

DOE PAGES

Zhang, Lei; Wang, Xue; Chi, Miaofang; ...

2015-07-24

A cost-effective catalyst should have a high dispersion of the active atoms, together with a controllable surface structure for the optimization of activity, selectivity, or both. We fabricated nanocages by depositing a few atomic layers of platinum (Pt) as conformal shells on palladium (Pd) nanocrystals with well-defined facets and then etching away the Pd templates. Density functional theory calculations suggest that the etching is initiated via a mechanism that involves the formation of vacancies through the removal of Pd atoms incorporated into the outermost layer during the deposition of Pt. With the use of Pd nanoscale cubes and octahedra asmore » templates, we obtained Pt cubic and octahedral nanocages enclosed by {100} and {111} facets, respectively, which exhibited distinctive catalytic activities toward oxygen reduction.« less

REVIEWS OF TOPICAL PROBLEMS: Helium-isotope mass-spectrometric method for studying tritium beta decay (idea, experiment, nuclear and molecular physics applications)

NASA Astrophysics Data System (ADS)

Akulov, Yuii A.; Mamyrin, Boris A.

2003-11-01

Experimental data on the variation of tritium nucleus beta decay constant caused by the interaction of the resulting beta-electron with orbital electrons and shell vacancies are reviewed for free atomic tritium and molecular tritium and used to obtain the half-life of atomic tritium (T1/2)a=(12.264±0.018) y, the half-life of the free triton (T1/2)t=(12.238±0.020) y, the axial-vector-to-vector weak-interaction coupling constant ratio (GA/GV)t=-1.2646 ± 0.0035 for beta decay of the triton, and an independent estimate of the free neutron lifetime τn= (890.3 ± 3.9stat ± 1.4syst) s.

Fe Stabilization by Intermetallic L1 0-FePt and Pt Catalysis Enhancement in L1 0-FePt/Pt Nanoparticles for Efficient Oxygen Reduction Reaction in Fuel Cells

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

Li, Junrui; Xi, Zheng; Pan, Yung -Tin

We report in this article a detailed study on how to stabilize a first-row transition metal (M) in an intermetallic L1 0-MPt alloy nanoparticle (NP) structure and how to surround the L1 0-MPt with an atomic layer of Pt to enhance the electrocatalysis of Pt for oxygen reduction reaction (ORR) in fuel cell operation conditions. Using 8 nm FePt NPs as an example, we demonstrate that Fe can be stabilized more efficiently in a core/shell structured L1 0-FePt/Pt with a 5 Å Pt shell. The presence of Fe in the alloy core induces the desired compression of the thin Ptmore » shell, especially the 2 atomic layers of Pt shell, further improving the ORR catalysis. This leads to much enhanced Pt catalysis for ORR in 0.1 M HClO 4 solution (both at room temperature and 60°C) and in the membrane electrode assembly (MEA) at 80°C. The L1 0-FePt/Pt catalyst has a mass activity of 0.7 A/mg Pt from the half-cell ORR test and shows no obvious mass activity loss after 30,000 potential cycles between 0.6 V and 0.95 V at 80°C in the MEA, meeting the DOE 2020 target (<40% loss in mass activity). Here, we are extending the concept and preparing other L1 0-MPt/Pt NPs, such as L1 0-CoPt/Pt NPs, with reduced NP size as a highly efficient ORR catalyst for automotive fuel cell applications.« less

Fe Stabilization by Intermetallic L1 0-FePt and Pt Catalysis Enhancement in L1 0-FePt/Pt Nanoparticles for Efficient Oxygen Reduction Reaction in Fuel Cells

DOE PAGES

Li, Junrui; Xi, Zheng; Pan, Yung -Tin; ...

2018-02-07

We report in this article a detailed study on how to stabilize a first-row transition metal (M) in an intermetallic L1 0-MPt alloy nanoparticle (NP) structure and how to surround the L1 0-MPt with an atomic layer of Pt to enhance the electrocatalysis of Pt for oxygen reduction reaction (ORR) in fuel cell operation conditions. Using 8 nm FePt NPs as an example, we demonstrate that Fe can be stabilized more efficiently in a core/shell structured L1 0-FePt/Pt with a 5 Å Pt shell. The presence of Fe in the alloy core induces the desired compression of the thin Ptmore » shell, especially the 2 atomic layers of Pt shell, further improving the ORR catalysis. This leads to much enhanced Pt catalysis for ORR in 0.1 M HClO 4 solution (both at room temperature and 60°C) and in the membrane electrode assembly (MEA) at 80°C. The L1 0-FePt/Pt catalyst has a mass activity of 0.7 A/mg Pt from the half-cell ORR test and shows no obvious mass activity loss after 30,000 potential cycles between 0.6 V and 0.95 V at 80°C in the MEA, meeting the DOE 2020 target (<40% loss in mass activity). Here, we are extending the concept and preparing other L1 0-MPt/Pt NPs, such as L1 0-CoPt/Pt NPs, with reduced NP size as a highly efficient ORR catalyst for automotive fuel cell applications.« less

Chronic hypoxia and low salinity impair anti-predatory responses of the green-lipped mussel Perna viridis.

PubMed

Wang, Youji; Hu, Menghong; Cheung, S G; Shin, P K S; Lu, Weiqun; Li, Jiale

2012-06-01

The effects of chronic hypoxia and low salinity on anti-predatory responses of the green-lipped mussel Perna viridis were investigated. Dissolved oxygen concentrations ranged from hypoxic to normoxic (1.5 ± 0.3 mg l(-1), 3.0 ± 0.3 mg l(-1) and 6.0 ± 0.3 mg l(-1)), and salinities were selected within the variation during the wet season in Hong Kong coastal waters (15‰, 20‰, 25‰ and 30‰). The dissolved oxygen and salinity significantly affected some anti-predatory responses of mussel, including byssus production, shell thickness and shell weight, and the adductor diameter was only significantly affected by salinity. Besides, interactive effects of dissolved oxygen and salinity on the byssus production and shell thickness were also observed. In hypoxic and low salinity conditions, P. viridis produced fewer byssal threads, thinner shell and adductor muscle, indicating that hypoxia and low salinity are severe environmental stressors for self-defence of mussel, and their interactive effects further increase the predation risk. Crown Copyright © 2012. Published by Elsevier Ltd. All rights reserved.

Possibility of synthesizing a doubly magic superheavy nucleus

NASA Astrophysics Data System (ADS)

Aritomo, Y.

2007-02-01

The possibility of synthesizing a doubly magic superheavy nucleus, 298114184, is investigated on the basis of fluctuation-dissipation dynamics. In order to synthesize this nucleus, we must generate more neutron-rich compound nuclei because of the neutron emissions from excited compound nuclei. The compound nucleus 304114 has two advantages to achieving a high survival probability. First, because of low neutron separation energy and rapid cooling, the shell correction energy recovers quickly. Secondly, owing to neutron emissions, the neutron number in the nucleus approaches that of the double closed shell and the nucleus attains a large fission barrier. Because of these two effects, the survival probability of 304114 does not decrease until the excitation energy E*=50 MeV. These properties lead to a rather high evaporation residue cross section.

Endoliths in Lithophaga lithophaga shells--Variation in intensity of infestation and species occurrence.

PubMed

Peharda, Melita; Calcinai, Barbara; Puljas, Sanja; Golubić, Stjepko; Arapov, Jasna; Thébault, Julien

2015-07-01

Pronounced differences with respect to the extent of infestation and the degree of Lithophaga lithophaga shell damage inflicted by euendolithic taxa at two sites in the Adriatic Sea representing different productivity conditions, are described. Shells collected from the eastern part of Kaštela Bay, which is characterized by higher primary productivity, have significantly more shell damage then the shell collected from a site on the outer coast of the island of Čiovo exposed to the oligotrophic Adriatic Sea. The presence of endoliths and their perforations were detected in different layers of the shell, including solidly mineralized parts of the skeleton and within the organic lamellae incorporated into the shell. Phototrophic endoliths were not observed in the specimens. The most serious damage to L. lithophaga shells was the boring clionaid sponge Pione vastifica, which was more common in shells collected from Kaštela. Copyright © 2015 Elsevier Ltd. All rights reserved.

Ocean Warming, More than Acidification, Reduces Shell Strength in a Commercial Shellfish Species during Food Limitation

PubMed Central

Mackenzie, Clara L.; Ormondroyd, Graham A.; Curling, Simon F.; Ball, Richard J.; Whiteley, Nia M.; Malham, Shelagh K.

2014-01-01

Ocean surface pH levels are predicted to fall by 0.3–0.4 pH units by the end of the century and are likely to coincide with an increase in sea surface temperature of 2–4°C. The combined effect of ocean acidification and warming on the functional properties of bivalve shells is largely unknown and of growing concern as the shell provides protection from mechanical and environmental challenges. We examined the effects of near-future pH (ambient pH –0.4 pH units) and warming (ambient temperature +4°C) on the shells of the commercially important bivalve, Mytilus edulis when fed for a limited period (4–6 h day−1). After six months exposure, warming, but not acidification, significantly reduced shell strength determined as reductions in the maximum load endured by the shells. However, acidification resulted in a reduction in shell flex before failure. Reductions in shell strength with warming could not be explained by alterations in morphology, or shell composition but were accompanied by reductions in shell surface area, and by a fall in whole-body condition index. It appears that warming has an indirect effect on shell strength by re-allocating energy from shell formation to support temperature-related increases in maintenance costs, especially as food supply was limited and the mussels were probably relying on internal energy reserves. The maintenance of shell strength despite seawater acidification suggests that biomineralisation processes are unaffected by the associated changes in CaCO3 saturation levels. We conclude that under near-future climate change conditions, ocean warming will pose a greater risk to shell integrity in M. edulis than ocean acidification when food availability is limited. PMID:24489785

Ocean warming, more than acidification, reduces shell strength in a commercial shellfish species during food limitation.

PubMed

Mackenzie, Clara L; Ormondroyd, Graham A; Curling, Simon F; Ball, Richard J; Whiteley, Nia M; Malham, Shelagh K

2014-01-01

Ocean surface pH levels are predicted to fall by 0.3-0.4 pH units by the end of the century and are likely to coincide with an increase in sea surface temperature of 2-4 °C. The combined effect of ocean acidification and warming on the functional properties of bivalve shells is largely unknown and of growing concern as the shell provides protection from mechanical and environmental challenges. We examined the effects of near-future pH (ambient pH -0.4 pH units) and warming (ambient temperature +4 °C) on the shells of the commercially important bivalve, Mytilus edulis when fed for a limited period (4-6 h day(-1)). After six months exposure, warming, but not acidification, significantly reduced shell strength determined as reductions in the maximum load endured by the shells. However, acidification resulted in a reduction in shell flex before failure. Reductions in shell strength with warming could not be explained by alterations in morphology, or shell composition but were accompanied by reductions in shell surface area, and by a fall in whole-body condition index. It appears that warming has an indirect effect on shell strength by re-allocating energy from shell formation to support temperature-related increases in maintenance costs, especially as food supply was limited and the mussels were probably relying on internal energy reserves. The maintenance of shell strength despite seawater acidification suggests that biomineralisation processes are unaffected by the associated changes in CaCO3 saturation levels. We conclude that under near-future climate change conditions, ocean warming will pose a greater risk to shell integrity in M. edulis than ocean acidification when food availability is limited.

Thickness constraints on the icy shells of the galilean satellites from a comparison of crater shapes.

PubMed

Schenk, Paul M

2002-05-23

A thin outer ice shell on Jupiter's large moon Europa would imply easy exchange between the surface and any organic or biotic material in its putative subsurface ocean. The thickness of the outer ice shell is poorly constrained, however, with model-dependent estimates ranging from a few kilometres to ten or more kilometres. Here I present measurements of depths of impact craters on Europa, Ganymede and Callisto that reveal two anomalous transitions in crater shape with diameter. The first transition is probably related to temperature-dependent ductility of the crust at shallow depths (7 8 km on Europa). The second transition is attributed to the influence of subsurface oceans on all three satellites, which constrains Europa's icy shell to be at least 19 km thick. The icy lithospheres of Ganymede and Callisto are equally ice-rich, but Europa's icy shell has a thermal structure about 0.25 0.5 times the thicknesses of Ganymede's or Callisto's shells, depending on epoch. The appearances of the craters on Europa are inconsistent with thin-ice-shell models and indicate that exchange of oceanic and surface material could be difficult.

The Mira Variable S Orionis: Relationships Between the Photosphere, Molecular Layer, Dust Shell, and SiO Maser Shell at 4 Epochs

DTIC Science & Technology

2007-01-01

C ., Gray, M. D., Humphreys, E. M. L ., Braithwaite, M. F ., & Field, D. 1995, A & A , 302, 797 Feast, M. W., Glass, I. S., Whitelock, P. A ., & Catchpole... C ., Bester, M., Degiacomi, C . G., Greenhill, L . J., & Townes, C . H. 1994, AJ, 107, 1469 Desmurs, J. F ., Bujarrabal, V., Colomer, F ., & Alcolea, J...2003, Proc. SPIE, 4838, 89 Gray, M. D., & Humphreys, E. M. L . 2000, New Astron., 5, 155 Haniff, C . A ., Scholz, M., & Tuthill,

The National Shipbuilding Research Program. A Common Sense Design Manual for Producibility of Hull Foundations

DTIC Science & Technology

1996-06-01

FAMILY OF STANDARD FOUNDATION TYPES TYPE 6 TYPE _TYPE 18 TYPE 24 C o m p u t e r M o d e l Hull Mounted Bottom Shell Gril lage C o m p u t e r M o d... Gril lage S T A N D A R D FOUNDATION TYPE 1 C o m p u t e r M o d e l Hull Mounted Bottom Shell Frame 3. FLANGE BENDING LONGITUDINAL L FRAME BENDING 2

Yolk-Shell Porous Microspheres of Calcium Phosphate Prepared by Using Calcium L-Lactate and Adenosine 5'-Triphosphate Disodium Salt: Application in Protein/Drug Delivery.

PubMed

Ding, Guan-Jun; Zhu, Ying-Jie; Qi, Chao; Sun, Tuan-Wei; Wu, Jin; Chen, Feng

2015-06-26

A facile and environmentally friendly approach has been developed to prepare yolk-shell porous microspheres of calcium phosphate by using calcium L-lactate pentahydrate (CL) as the calcium source and adenosine 5'-triphosphate disodium salt (ATP) as the phosphate source through the microwave-assisted hydrothermal method. The effects of the concentration of CL, the microwave hydrothermal temperature, and the time on the morphology and crystal phase of the product are investigated. The possible formation mechanism of yolk-shell porous microspheres of calcium phosphate is proposed. Hemoglobin from bovine red cells (Hb) and ibuprofen (IBU) are used to explore the application potential of yolk-shell porous microspheres of calcium phosphate in protein/drug loading and delivery. The experimental results indicate that the as-prepared yolk-shell porous microspheres of calcium phosphate have relatively high protein/drug loading capacity, sustained protein/drug release, favorable pH-responsive release behavior, and a high biocompatibility in the cytotoxicity test. Therefore, the yolk-shell porous microspheres of calcium phosphate have promising applications in various biomedical fields such as protein/drug delivery. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

[An activity of nonspecific esterases in homogenates of Lymnaea stagnalis and Lymnaea tumida snails (Gastropoda: Pulmonata) infected by trematode cercariae Echinoparyphium aconiatum and Moliniella anceps (Echinostomatidae)].

PubMed

Vorontsova, Ia L; Iurlova, N I; Vodianitskaia, S N; Glupov, V V

2008-01-01

The comparative analysis of esterase changes in homogenates of the snails Lymnaea stagnalis and L. tumida bodies was carried out. Juvenile snails with shell size 2 mm, 3-4 mm, 5-6 mm and 7-8 mm were exposed to cercariae of the trematodes Echinoparyphium aconiatum and/or Moliniella anceps. The esterase activity was detected spectrofotometrically. The highest level of esterase activity in noninfected L. stagnalis was registered in snails with shell size 3-4 mm. The invasion of snails by trematode cercariae results in a change of esterase activity in the tissues of infected snails. The activity of easterases was increased in the infected L. stagnalis snails with shell size 5-8 mm at 2 days post invasion in comparison with control. The decrease of esterase activity in tissues of infected snails L. stagnalis (3-4 mm) and L. tumida (4 mm) was observed at 26 days post invasion by E. aconiatum only. The host size and parasite species was influenced on esterase activity in the snails.

Characterizing pixel and point patterns with a hyperuniformity disorder length

NASA Astrophysics Data System (ADS)

Chieco, A. T.; Dreyfus, R.; Durian, D. J.

2017-09-01

We introduce the concept of a "hyperuniformity disorder length" h that controls the variance of volume fraction fluctuations for randomly placed windows of fixed size. In particular, fluctuations are determined by the average number of particles within a distance h from the boundary of the window. We first compute special expectations and bounds in d dimensions, and then illustrate the range of behavior of h versus window size L by analyzing several different types of simulated two-dimensional pixel patterns—where particle positions are stored as a binary digital image in which pixels have value zero if empty and one if they contain a particle. The first are random binomial patterns, where pixels are randomly flipped from zero to one with probability equal to area fraction. These have long-ranged density fluctuations, and simulations confirm the exact result h =L /2 . Next we consider vacancy patterns, where a fraction f of particles on a lattice are randomly removed. These also display long-range density fluctuations, but with h =(L /2 )(f /d ) for small f , and h =L /2 for f →1 . And finally, for a hyperuniform system with no long-range density fluctuations, we consider "Einstein patterns," where each particle is independently displaced from a lattice site by a Gaussian-distributed amount. For these, at large L ,h approaches a constant equal to about half the root-mean-square displacement in each dimension. Then we turn to gray-scale pixel patterns that represent simulated arrangements of polydisperse particles, where the volume of a particle is encoded in the value of its central pixel. And we discuss the continuum limit of point patterns, where pixel size vanishes. In general, we thus propose to quantify particle configurations not just by the scaling of the density fluctuation spectrum but rather by the real-space spectrum of h (L ) versus L . We call this approach "hyperuniformity disorder length spectroscopy".

Characterizing pixel and point patterns with a hyperuniformity disorder length.

PubMed

Chieco, A T; Dreyfus, R; Durian, D J

2017-09-01

We introduce the concept of a "hyperuniformity disorder length" h that controls the variance of volume fraction fluctuations for randomly placed windows of fixed size. In particular, fluctuations are determined by the average number of particles within a distance h from the boundary of the window. We first compute special expectations and bounds in d dimensions, and then illustrate the range of behavior of h versus window size L by analyzing several different types of simulated two-dimensional pixel patterns-where particle positions are stored as a binary digital image in which pixels have value zero if empty and one if they contain a particle. The first are random binomial patterns, where pixels are randomly flipped from zero to one with probability equal to area fraction. These have long-ranged density fluctuations, and simulations confirm the exact result h=L/2. Next we consider vacancy patterns, where a fraction f of particles on a lattice are randomly removed. These also display long-range density fluctuations, but with h=(L/2)(f/d) for small f, and h=L/2 for f→1. And finally, for a hyperuniform system with no long-range density fluctuations, we consider "Einstein patterns," where each particle is independently displaced from a lattice site by a Gaussian-distributed amount. For these, at large L,h approaches a constant equal to about half the root-mean-square displacement in each dimension. Then we turn to gray-scale pixel patterns that represent simulated arrangements of polydisperse particles, where the volume of a particle is encoded in the value of its central pixel. And we discuss the continuum limit of point patterns, where pixel size vanishes. In general, we thus propose to quantify particle configurations not just by the scaling of the density fluctuation spectrum but rather by the real-space spectrum of h(L) versus L. We call this approach "hyperuniformity disorder length spectroscopy".

L-Cysteine capped CdTe-CdS core-shell quantum dots: preparation, characterization and immuno-labeling of HeLa cells.

PubMed

Zhang, Hongyan; Sun, Pan; Liu, Chang; Gao, Huanyu; Xu, Linru; Fang, Jin; Wang, Meng; Liu, Jinling; Xu, Shukun

2011-01-01

Functionalized CdTe-CdS core-shell quantum dots (QDs) were synthesized in aqueous solution via water-bathing combined hydrothermal method using L-cysteine (L-Cys) as a stabilizer. This method possesses both the advantages of water-bathing and hydrothermal methods for preparing high-quality QDs with markedly reduced synthesis time, and better stability than a lone hydrothermal method. The QDs were characterized by transmission electronic microscopy and powder X-ray diffraction and X-ray photoelectron spectroscopy. The CdTe-CdS QDs with core-shell structure showed both enhanced fluorescence and better photo stability than nude CdTe QDs. After conjugating with antibody rabbit anti-CEACAM8 (CD67), the as-prepared l-Cys capped CdTe-CdS QDs were successfully used as fluorescent probes for the direct immuno-labeling and imaging of HeLa cells. It was indicated that this kind of QD would have application potential in bio-labeling and cell imaging. Copyright © 2009 John Wiley & Sons, Ltd.

Chemical expansion affected oxygen vacancy stability in different oxide structures from first principles calculations

DOE PAGES

Aidhy, Dilpuneet S.; Liu, Bin; Zhang, Yanwen; ...

2015-01-21

We study the chemical expansion for neutral and charged oxygen vacancies in fluorite, rocksalt, perovskite and pyrochlores materials using first principles calculations. We show that the neutral oxygen vacancy leads to lattice expansion whereas the charged vacancy leads to lattice contraction. In addition, we show that there is a window of strain within which an oxygen vacancy is stable; beyond that range, the vacancy can become unstable. Using CeO 2|ZrO 2 interface structure as an example, we show that the concentration of oxygen vacancies can be manipulated via strain, and the vacancies can be preferentially stabilized. Furthermore, these results couldmore » serve as guiding principles in predicting oxygen vacancy stability in strained systems and in the design of vacancy stabilized materials.« less

Ultraviolet divergences in non-renormalizable supersymmetric theories

NASA Astrophysics Data System (ADS)

Smilga, A.

2017-03-01

We present a pedagogical review of our current understanding of the ultraviolet structure of N = (1,1) 6D supersymmetric Yang-Mills theory and of N = 8 4 D supergravity. These theories are not renormalizable, they involve power ultraviolet divergences and, in all probability, an infinite set of higherdimensional counterterms that contribute to on-mass-shell scattering amplitudes. A specific feature of supersymmetric theories (especially, of extended supersymmetric theories) is that these counterterms may not be invariant off shell under the full set of supersymmetry transformations. The lowest-dimensional nontrivial counterterm is supersymmetric on shell. Still higher counterterms may lose even the on-shell invariance. On the other hand, the full effective Lagrangian, generating the amplitudes and representing an infinite sum of counterterms, still enjoys the complete symmetry of original theory. We also discuss simple supersymmetric quantum-mechanical models that exhibit the same behaviour.

Oyster Shell Dredging in Atchafalaya Bay and Adjacent Waters, Louisiana. Volume 2. Public Comments.

DTIC Science & Technology

1987-11-01

alternatives to the proposed action." (NEPA Sec. 102(C)(iii)) To either renew the permits or deny the permits essentially provides no alternatives...of the more marine-oriented fishes found in the Gulf of Mexico enter these regions, essentially using them as nursery grounds. Shell dredging will...and the release in summer is probably essential to the sustained phytoplankton production observed in Fourleague Bay throughout the spring to fall

Stabilization of As-, Pb-, and Cu-contaminated soil using calcined oyster shells and steel slag.

PubMed

Moon, Deok Hyun; Wazne, Mahmoud; Cheong, Kyung Hoon; Chang, Yoon-Young; Baek, Kitae; Ok, Yong Sik; Park, Jeong-Hun

2015-07-01

In this study, As-, Pb-, and Cu-contaminated soil was stabilized using calcined oyster shells (COS) and steel slag (SS). The As-contaminated soil was obtained from a timber mill site where chromate copper arsenate (CCA) was used as a preservative. On the other hand, Pb- and Cu-contaminated soil was obtained from a firing range. These two soils were thoroughly mixed to represent As-, Pb-, and Cu-contaminated soil. Calcined oyster shells were obtained by treating waste oyster shells at a high temperature using the calcination process. The effectiveness of stabilization was evaluated by 1-N HCl extraction for As and 0.1-N HCl extraction for Pb and Cu. The treatment results showed that As, Pb, and Cu leachability were significantly reduced upon the combination treatment of COS and SS. The sole treatment of SS (10 wt%) did not show effective stabilization. However, the combination treatment of COS and SS showed a significant reduction in As, Pb, and Cu leachability. The best stabilization results were obtained from the combination treatment of 15 wt% COS and 10 wt% SS. The SEM-EDX results suggested that the effective stabilization of As was most probably achieved by the formation of Ca-As and Fe-As precipitates. In the case of Pb and Cu, stabilization was most probably associated with the formation of pozzolanic reaction products such as CSHs and CAHs.

Landscape of α preformation probability for even-even nuclei in medium mass region

NASA Astrophysics Data System (ADS)

Qian, Yibin; Ren, Zhongzhou

2018-03-01

The behavior of α cluster preformation probability, in α decay, is a rich source of the structural information, such as the clustering, pairing, and shell evolution in heavy nuclei. Meanwhile, the experimental α decay data have been very recently compiled in the newest table NUBASE2016. Through a least square fit to the available experimental data of nuclear charge radii plus the neutron skin thickness, we obtain a new set of parameters for the two-parameter Fermi nucleon density distributions in target nuclei. Subsequently, we make use of these refreshed inputs, involved in the density-dependent cluster model, to extract α preformation factor ({P}α ) for a large range of medium α emitters with N < 126 from the newest data table. Besides checking the supposed smooth pattern of P α in the open-shell region, the special attention has been paid to those exotic α-decaying nuclei around the Z = 50 and N = 82 shell closures. Moreover, the correlation between the α preformation factor and the microscopic correction of nuclear mass, corresponding to the effect of shell and pairing plus deformation, is in particular investigated, to pursue the valuable knowledge of the P α pattern over the nuclide chart. The feature of α preformation factor along with the neutron-proton asymmetry is then detected and discussed to some extent.

On the origin of the extended infrared shell around NGC 6888

NASA Astrophysics Data System (ADS)

Lozinskaya, T. A.; Pravdikova, V. V.; Gosachinskij, I. V.; Trushkin, S. A.

1997-06-01

The results of a program of research on the extended infrared shell around the nebula NGC 6888 and the star WR 136 are presented. We performed H-alpha observations with a Fabry-Perot interferometer mounted at the focus of a 125-cm telescope and radio continuum (2.7 to 31 cm) and 21-cm HI observations with the RATAN-600 radio telescope. A thick expanding shell of neutral hydrogen 120 pc in diameter that immediately surrounds the extended infrared shell was detected. This suggests that the infrared shell is a single structure rather than a projection of physically unrelated objects. The radial velocity of the HI shell is 11 +/- 1 km/s, the expansion velocity is 10 +/- 3 km/s, and the mass of the neutral hydrogen in the shell is 10 exp 4 solar masses. The bright radio features that we detected in the region of the infrared shell all exhibit a flat spectmm typical of thermal emission from optically thin HII regions. The same inference is probably also true for the nebula Simeiz 55. Our observations are consistent with the assumption of Marston that the extended shell was formed by the stellar wind from the precursor of WR 136, but they do not rule out the identification with a very old supernova remnant proposed by Nichols-Bohlin and Fesen.

Unraveling the oxygen vacancy structures at the reduced Ce O2(111 ) surface

NASA Astrophysics Data System (ADS)

Han, Zhong-Kang; Yang, Yi-Zhou; Zhu, Beien; Ganduglia-Pirovano, M. Verónica; Gao, Yi

2018-03-01

Oxygen vacancies at ceria (Ce O2 ) surfaces play an essential role in catalytic applications. However, during the past decade, the near-surface vacancy structures at Ce O2(111 ) have been questioned due to the contradictory results from experiments and theoretical simulations. Whether surface vacancies agglomerate, and which is the most stable vacancy structure for varying vacancy concentration and temperature, are being heatedly debated. By combining density functional theory calculations and Monte Carlo simulations, we proposed a unified model to explain all conflicting experimental observations and theoretical results. We find a novel trimeric vacancy structure which is more stable than any other one previously reported, which perfectly reproduces the characteristics of the double linear surface oxygen vacancy clusters observed by STM. Monte Carlo simulations show that at low temperature and low vacancy concentrations, vacancies prefer subsurface sites with a local (2 × 2) ordering, whereas mostly linear surface vacancy clusters do form with increased temperature and degree of reduction. These results well explain the disputes about the stable vacancy structure and surface vacancy clustering at Ce O2(111 ) , and provide a foundation for the understanding of the redox and catalytic chemistry of metal oxides.

Population ecology and shell chemistry of a phytal ostracode species (Loxoconcha matagordensis) in the Chesapeake Bay watershed

USGS Publications Warehouse

Vann, C.D.; Cronin, T. M.; Dwyer, Gary S.

2004-01-01

Population ecology and shell chemistry were studied in the phytal ostracode Loxoconcha matagordensis (Swain 1955) collected from Zostera marina seagrass beds in the Chesapeake Bay to provide seasonal constraints on shell secretion time for paleothermometry. Population density and age structure were defined by two main breeding cycles that occurred between 01 to 15 June and 02 to 16 August 2001. The time interval between breeding cycles was ???2 months and total juvenile standing crop increased almost three-fold between the first and second breeding cycles. Dark brown over-wintered adults comprised the majority of the population between March and April 2001, while newly secreted translucent adults were predominant between June and September. Seasonal shell Mg/Ca and Sr/Ca ratios were positively correlated with water temperature at both sites, with the strongest correlations occurring between June and September from newly secreted shells at Dameron Marsh. Old, dark brown shells contained 10% to 23% and 1% to 6% less Mg/Ca and Sr/Ca, respectively, than new shells. Because a fossil assemblage of L. matagordensis will contain ???30% old shells (dark-brown), these results suggest that fossil Mg/Ca ratios yield an integrated late spring to summer temperature signal. Shell Mg/Ca and Sr/Ca ratios of specimens of L. matagordensis collected from living Zostera were positively correlated, suggesting that temperature may influence both elemental ratios. Mg/Ca and Sr/Ca ratios of fossil shells of the related species Loxoconcha sp. A obtained from four sediment cores were also studied and exhibited a weaker correlation between the two elemental ratios. ?? 2004 Elsevier B.V. All rights reserved.

Edge effect on a vacancy state in semi-infinite graphene

NASA Astrophysics Data System (ADS)

Deng, Hai-Yao; Wakabayashi, Katsunori

2014-09-01

The edge effect on a single vacancy state of semi-infinite graphene (SIG) has been studied using Green's function method within the tight-binding model. In the case of infinite graphene, it is known that a vacancy induces a zero-energy resonance state, whose wave function decays inversely with distance (R) from the vacancy and is not normalizable. However, for SIG with an armchair edge, we find that the corresponding wave function decays as R-2 and hence becomes normalizable owing to the intervalley interference caused by the armchair edge. For SIG with a zigzag edge, the vacancy state depends on the sublattice of the vacancy. When the vacancy and the edge belong to different sublattices, the vacancy has no effect on the zero-energy vacancy state. In contrast, when the vacancy is located on the same sublattice as the edge, the resonance state disappears but the wave function at zero energy is strongly distorted near the vacancy. Our results reveal that the presence of edges crucially changes the vacancy state in graphene, and thus such a state can be used to probe the edge structure.

Generation mechanism of L-value dependence of oxygen flux enhancements during substorms

NASA Astrophysics Data System (ADS)

Nakayama, Y.; Ebihara, Y.; Tanaka, T.; Ohtani, S.; Gkioulidou, M.; Takahashi, K.; Kistler, L. M.; Kletzing, C.

2015-12-01

The Van Allen Probes Helium Oxygen Proton Electron (HOPE) instrument measures charged particles with an energy range from ~eV to ~ tens of keV. The observation shows that the energy flux of the particles increases inside the geosynchronous orbit during substorms. For some night-side events around the apogee, the energy flux of O+ ion enhances below ~10 keV at lower L shell, whereas the flux below ~8 keV sharply decreases at higher L shells. This structure of L-energy spectrogram of flux is observed only for the O+ ions. The purpose of this study is to investigate the generation mechanism of the structure by using numerical simulations. We utilized the global MHD simulation developed by Tanaka et al (2010, JGR) to simulate the electric and magnetic fields during substorms. We performed test particle simulation under the electric and magnetic fields by applying the same model introduced by Nakayama et al. (2015, JGR). In the test particle simulation each test particle carries the real number of particles in accordance with the Liouville theorem. Using the real number of particles, we reconstructed 6-dimensional phase space density and differential flux of O+ ions in the inner magnetosphere. We obtained the following results. (1) Just after the substorm onset, the dawn-to-dusk electric field is enhanced to ~ 20 mV/m in the night side tail region at L > 7. (2) The O+ ions are accelerated and transported to the inner region (L > ~5.5) by the large-amplitude electric field. (3) The reconstructed L-energy spectrogram shows a similar structure to the Van Allen Probes observation. (4) The difference in the flux enhancement between at lower L shell and higher L shells is due to two distinct acceleration processes: adiabatic and non-adiabatic. We will discuss the relationship between the particle acceleration and the structure of L-energy spectrogram of flux enhancement in detail.

Effect of vacancy defects on generalized stacking fault energy of fcc metals.

PubMed

Asadi, Ebrahim; Zaeem, Mohsen Asle; Moitra, Amitava; Tschopp, Mark A

2014-03-19

Molecular dynamics (MD) and density functional theory (DFT) studies were performed to investigate the influence of vacancy defects on generalized stacking fault (GSF) energy of fcc metals. MEAM and EAM potentials were used for MD simulations, and DFT calculations were performed to test the accuracy of different common parameter sets for MEAM and EAM potentials in predicting GSF with different fractions of vacancy defects. Vacancy defects were placed at the stacking fault plane or at nearby atomic layers. The effect of vacancy defects at the stacking fault plane and the plane directly underneath of it was dominant compared to the effect of vacancies at other adjacent planes. The effects of vacancy fraction, the distance between vacancies, and lateral relaxation of atoms on the GSF curves with vacancy defects were investigated. A very similar variation of normalized SFEs with respect to vacancy fractions were observed for Ni and Cu. MEAM potentials qualitatively captured the effect of vacancies on GSF.

Absolute cross-section measurements of inner-shell ionization

NASA Astrophysics Data System (ADS)

Schneider, Hans; Tobehn, Ingo; Ebel, Frank; Hippler, Rainer

1994-12-01

Cross section ratios for K- and L-shell ionization of thin silver and gold targets by positron and electron impact have been determined at projectile energies of 30 70 keV. The experimental results are confirmed by calculations in plane wave Born approximation (PWBA) which include an electron exchange term and account for the deceleration or acceleration of the incident projectile in the nuclear field of the target atom. We report first absolute cross sections for K- and L-shell ionization of silver and gold targets by lepton impact in the threshold region. We have measured the corresponding cross sections for electron (e-) impact with an electron gun and the same experimental set-up.

The role of convection in the buildup of the ring current pressure during the 17 March 2013 storm

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

Menz, A. M.; Kistler, L. M.; Mouikis, C. G.

We report on 17 March 2013, the Van Allen Probes measured the H + and O + fluxes of the ring current during a large geomagnetic storm. Detailed examination of the pressure buildup during the storm shows large differences in the pressure measured by the two spacecraft, with measurements separated by only an hour, and large differences in the pressure measured at different local times. In addition, while the H + and O + pressure contributions are about equal during the main phase in the near-Earth plasma sheet outside L = 5.5, the O + pressure dominates at lower Lmore » values. We test whether adiabatic convective transport from the near-Earth plasma sheet (L > 5.5) to the inner magnetosphere can explain these observations by comparing the observed inner magnetospheric distributions with the source distribution at constant magnetic moment, mu. We find that adiabatic convection can account for the enhanced pressure observed during the storm. Using a Weimer 1996 electric field we model the drift trajectories to show that the key features can be explained by variation in the near-Earth plasma sheet population and particle access that changes with energy and L shell. Finally, we show that the dominance of O + at low L shells is due partly to a near-Earth plasma sheet that is preferentially enhanced in O + at lower energies (5–10 keV) and partly due to the time dependence in the source combined with longer drift times to low L shells. Lastly, no source of O + inside L = 5.5 is required to explain the observations at low L shells.« less

The role of convection in the buildup of the ring current pressure during the 17 March 2013 storm

DOE PAGES

Menz, A. M.; Kistler, L. M.; Mouikis, C. G.; ...

2017-01-21

We report on 17 March 2013, the Van Allen Probes measured the H + and O + fluxes of the ring current during a large geomagnetic storm. Detailed examination of the pressure buildup during the storm shows large differences in the pressure measured by the two spacecraft, with measurements separated by only an hour, and large differences in the pressure measured at different local times. In addition, while the H + and O + pressure contributions are about equal during the main phase in the near-Earth plasma sheet outside L = 5.5, the O + pressure dominates at lower Lmore » values. We test whether adiabatic convective transport from the near-Earth plasma sheet (L > 5.5) to the inner magnetosphere can explain these observations by comparing the observed inner magnetospheric distributions with the source distribution at constant magnetic moment, mu. We find that adiabatic convection can account for the enhanced pressure observed during the storm. Using a Weimer 1996 electric field we model the drift trajectories to show that the key features can be explained by variation in the near-Earth plasma sheet population and particle access that changes with energy and L shell. Finally, we show that the dominance of O + at low L shells is due partly to a near-Earth plasma sheet that is preferentially enhanced in O + at lower energies (5–10 keV) and partly due to the time dependence in the source combined with longer drift times to low L shells. Lastly, no source of O + inside L = 5.5 is required to explain the observations at low L shells.« less

24 CFR 891.790 - Conditions for receipt of vacancy payments for assisted units.

Code of Federal Regulations, 2010 CFR

2010-04-01

... fulfilled. (b) Vacancies during rent-up. For each unit (or residential space in a group home) that is not... assisted unit (or residential space in a group home) the Borrower is entitled to vacancy payments in the... and the reasons for the vacancy immediately upon learning of the vacancy or prospective vacancy; (3...

Understanding the interface of six-shell cuboctahedral and icosahedral palladium clusters on reduced graphene oxide: experimental and theoretical study.

PubMed

Gracia-Espino, Eduardo; Hu, Guangzhi; Shchukarev, Andrey; Wågberg, Thomas

2014-05-07

Studies on noble-metal-decorated carbon nanostructures are reported almost on a daily basis, but detailed studies on the nanoscale interactions for well-defined systems are very rare. Here we report a study of reduced graphene oxide (rGOx) homogeneously decorated with palladium (Pd) nanoclusters with well-defined shape and size (2.3 ± 0.3 nm). The rGOx was modified with benzyl mercaptan (BnSH) to improve the interaction with Pd clusters, and N,N-dimethylformamide was used as solvent and capping agent during the decoration process. The resulting Pd nanoparticles anchored to the rGOx-surface exhibit high crystallinity and are fully consistent with six-shell cuboctahedral and icosahedral clusters containing ~600 Pd atoms, where 45% of these are located at the surface. According to X-ray photoelectron spectroscopy analysis, the Pd clusters exhibit an oxidized surface forming a PdO(x) shell. Given the well-defined experimental system, as verified by electron microscopy data and theoretical simulations, we performed ab initio simulations using 10 functionalized graphenes (with vacancies or pyridine, amine, hydroxyl, carboxyl, or epoxy groups) to understand the adsorption process of BnSH, their further role in the Pd cluster formation, and the electronic properties of the graphene-nanoparticle hybrid system. Both the experimental and theoretical results suggest that Pd clusters interact with functionalized graphene by a sulfur bridge while the remaining Pd surface is oxidized. Our study is of significant importance for all work related to anchoring of nanoparticles on nanocarbon-based supports, which are used in a variety of applications.

Size-dependent melting modes and behaviors of Ag nanoparticles: a molecular dynamics study

NASA Astrophysics Data System (ADS)

Liang, Tianshou; Zhou, Dejian; Wu, Zhaohua; Shi, Pengpeng

2017-12-01

The size-dependent melting behaviors and mechanisms of Ag nanoparticles (NPs) with diameters of 3.5-16 nm were investigated by molecular dynamics (MD). Two distinct melting modes, non-premelting and premelting with transition ranges of about 7-8 nm, for Ag NPs were demonstrated via the evolution of distribution and transition of atomic physical states during annealing. The small Ag NPs (3.5-7 nm) melt abruptly without a stable liquid shell before the melting point, which is characterized as non-premelting. A solid-solid crystal transformation is conducted through the migration of adatoms on the surface of Ag NPs with diameters of 3.5-6 nm before the initial melting, which is mainly responsible for slightly increasing the melting point of Ag NPs. On the other hand, surface premelting of Ag NPs with diameters of 8-16 nm propagates from the outer shell to the inner core with initial anisotropy and late isotropy as the temperature increases, and the close-packed facets {111} melt by a side-consumed way which is responsible for facets {111} melting in advance relative to the crystallographic plane {111}. Once a stable liquid shell is formed, its size-independent minimum thickness is obtained, and a three-layer structure of atomic physical states is set up. Lastly, the theory of point defect-pair (vacancy-interstitial) severing as the mechanism of formation and movement of the solid-liquid interface was also confirmed. Our study provides a basic understanding and theoretical guidance for the research, production and application of Ag NPs.

Geomagnetically trapped light isotopes observed with the detector NINA

NASA Astrophysics Data System (ADS)

Bakaldin, A.; Galper, A.; Koldashov, S.; Korotkov, M.; Leonov, A.; Mikhailov, V.; Murashov, A.; Voronov, S.; Bidoli, V.; Casolino, M.; De Pascale, M.; Furano, G.; Iannucci, A.; Morselli, A.; Picozza, P.; Sparvoli, R.; Boezio, M.; Bonvicini, V.; Cirami, R.; Vacchi, A.; Zampa, N.; Ambriola, M.; Bellotti, R.; Cafagna, F.; Ciacio, F.; Circella, M.; De Marzo, C.; Adriani, O.; Papini, P.; Spillantini, P.; Straulino, S.; Vannuccini, E.; Ricci, M.; Castellini, G.

2002-08-01

The detector New Instrument for Nuclear Analysis (NINA) aboard the satellite Resurs-01-N4 detected hydrogen and helium isotopes geomagnetically trapped, while crossing the South Atlantic Anomaly. Deuterium and tritium at L shell < 1.2 were unambiguously recognized. The 3He and 4He power law spectra, reconstructed at L shell = 1.2 and B < 0.22 G, have indices equal to 2.30 +/- 0.08 in the energy range 12-50 MeV nucleon-1 and 3.4 +/- 0.2 in 10-30 MeV nucleon-1, respectively. The measured 3He/4He ratio and the reconstructed deuterium profile as a function of L shell bring one to the conclusion that the main source of radiation belt light isotopes at Resurs altitudes (~800 km) and for energy greater than 10 MeV nucleon-1 is the interaction of trapped protons with residual atmospheric helium.

Effect of Ga doping and point defect on magnetism of ZnO

NASA Astrophysics Data System (ADS)

Hou, Qingyu; Zhao, Chunwang; Jia, Xiaofang; Qu, Lingfeng

2017-02-01

The combined influence mechanism of Ga doping and Zn vacancy or O vacancy on magnetism of ZnO is studied using the first-principle calculation. The coexistence of Ga doping and Zn vacancy can achieve a Curie temperature higher than room temperature and the Ga doped ZnO system is a p-type diluted degenerate semiconductor with metalized ferromagnetism. The magnetism of the doping system of Ga doping and Zn vacancy is mainly contributed by double-exchange interaction through the holes of Zn vacancy taking carrier as medium. However, the system of Ga doping and O vacancy is non-magnetic. In the coexistence of Ga doping and Zn vacancy or O vacancy, a close relative distance between doping and vacancy will reduce the formation energy of the doping system but increase the easiness of doping and vacancy, as well as enhance the stability of the doping system.

Fabrication of Hierarchical Layer-by-Layer Assembled Diamond-based Core-Shell Nanocomposites as Highly Efficient Dye Absorbents for Wastewater Treatment

NASA Astrophysics Data System (ADS)

Zhao, Xinna; Ma, Kai; Jiao, Tifeng; Xing, Ruirui; Ma, Xilong; Hu, Jie; Huang, Hao; Zhang, Lexin; Yan, Xuehai

2017-03-01

The effective chemical modification and self-assembly of diamond-based hierarchical composite materials are of key importance for a broad range of diamond applications. Herein, we report the preparation of novel core-shell diamond-based nanocomposites for dye adsorption toward wastewater treatment through a layer-by-layer (LbL) assembled strategy. The synthesis of the reported composites began with the carboxyl functionalization of microdiamond by the chemical modification of diamond@graphene oxide composite through the oxidation of diamond@graphite. The carboxyl-terminated microdiamond was then alternatively immersed in the aqueous solution of amine-containing polyethylenimine and carboxyl-containing poly acrylic acid, which led to the formation of adsorption layer on diamond surface. Alternating (self-limiting) immersions in the solutions of the amine-containing and carboxyl-containing polymers were continued until the desired number of shell layers were formed around the microdiamond. The obtained core-shell nanocomposites were successfully synthesized and characterized by morphological and spectral techniques, demonstrating higher surface areas and mesoporous structures for good dye adsorption capacities than nonporous solid diamond particles. The LbL-assembled core-shell nanocomposites thus obtained demonstrated great adsorption capacity by using two model dyes as pollutants for wastewater treatment. Therefore, the present work on LbL-assembled diamond-based composites provides new alternatives for developing diamond hybrids as well as nanomaterials towards wastewater treatment applications.

L-cysteine-capped core/shell/shell quantum dot-graphene oxide nanocomposite fluorescence probe for polycyclic aromatic hydrocarbon detection.

PubMed

Adegoke, Oluwasesan; Forbes, Patricia B C

2016-01-01

Environmental pollutants, such as the polycyclic aromatic hydrocarbons (PAHs), become widely distributed in the environment after emission from a range of sources, and they have potential biological effects, including toxicity and carcinogenity. In this work, we have demonstrated the analytical potential of a covalently linked L-cysteine-capped CdSeTe/ZnSe/ZnS core/shell/shell quantum dot (QD)-graphene oxide (GO) nanocomposite fluorescence probe to detect PAH compounds in aqueous solution. Water-soluble L-cysteine-capped CdSeTe/ZnSe/ZnS QDs were synthesized for the first time and were covalently bonded to GO. The fluorescence of the QD-GO nanocomposite was enhanced relative to the unconjugated QDs. Various techniques including TEM, SEM, HRSEM, XRD, Raman, FT-IR, UV/vis and fluorescence spectrophotometry were employed to characterize both the QDs and the QD-GO nanocomposite. Four commonly found priority PAH analytes namely; phenanthrene (Phe), anthracene (Ant), pyrene (Py) and naphthalene (Naph), were tested and it was found that each of the PAH analytes enhanced the fluorescence of the QD-GO probe. Phe was selected for further studies as the PL enhancement was significantly greater for this PAH. A limit of detection (LOD) of 0.19 µg/L was obtained for Phe under optimum conditions, whilst the LOD of Ant, Py and Naph were estimated to be ~0.26 µg/L. The fluorescence detection mechanism is proposed. Copyright © 2015 Elsevier B.V. All rights reserved.

In-situ biogas upgrading during anaerobic digestion of food waste amended with walnut shell biochar at bench scale.

PubMed

Linville, Jessica L; Shen, Yanwen; Ignacio-de Leon, Patricia A; Schoene, Robin P; Urgun-Demirtas, Meltem

2017-06-01

A modified version of an in-situ CO 2 removal process was applied during anaerobic digestion of food waste with two types of walnut shell biochar at bench scale under batch operating mode. Compared with the coarse walnut shell biochar, the fine walnut shell biochar has a higher ash content (43 vs. 36 wt%) and higher concentrations of calcium (31 vs. 19 wt% of ash), magnesium (8.4 vs. 5.6 wt% of ash) and sodium (23.4 vs. 0.3 wt% of ash), but a lower potassium concentration (0.2 vs. 40% wt% of ash). The 0.96-3.83 g biochar (g VS added ) -1 fine walnut shell biochar amended digesters produced biogas with 77.5%-98.1% CH 4 content by removing 40%-96% of the CO 2 compared with the control digesters at mesophilic and thermophilic temperature conditions. In a direct comparison at 1.83 g biochar (g VS added ) -1 , the fine walnut shell biochar amended digesters (85.7% CH 4 content and 61% CO 2 removal) outperformed the coarse walnut shell biochar amended digesters (78.9% CH 4 content and 51% CO 2 removal). Biochar addition also increased alkalinity as CaCO 3 from 2800 mg L -1 in the control digesters to 4800-6800 mg L -1 , providing process stability for food waste anaerobic digestion.

76 FR 60076 - Lower Mississippi River Waterway Safety Advisory Committee; Vacancies

Federal Register 2010, 2011, 2012, 2013, 2014

2011-09-28

... (504) 365-2281; or by faxing (504) 365-2287; or by e-mailing to Marcie.L.Kohn@uscg.mil . This notice is... CONTACT: LCDR Marcie Kohn, Alternate Designated Federal Officer (ADFO) of the Lower Mississippi River....Kohn@uscg.mil . SUPPLEMENTARY INFORMATION: On March 11, 2011, the Coast Guard published a request in...

Electrical Degradation in Ceramic Dielectrics

DTIC Science & Technology

1988-09-09

and D. M. Smyth, " Positron Annihilation in Calcium-Doped Barium Titanate", in Electro- Ceramics and Solid State Ionsi, H. L. Tuller and D. M. Smyth...2 with the formation of ompensating oxygen vacancies, and this causes an increase in the ioni conductivity: 2CaO CaC + Call + 20 + (5) TiO2 --- V

Calculation of the X-Ray emission K and L 2,3 bands of metallic magnesium and aluminum with allowance for multielectron effects

NASA Astrophysics Data System (ADS)

Ovcharenko, R. E.; Tupitsyn, I. I.; Savinov, E. P.; Voloshina, E. N.; Dedkov, Yu. S.; Shulakov, A. S.

2014-01-01

A procedure is proposed to calculate the shape of the characteristic X-ray emission bands of metals with allowance for multielectron effects. The effects of the dynamic screening of a core vacancy by conduction electrons and the Auger effect in the valence band are taken into account. The dynamic screening of a core vacancy, which is known to be called the MND (Mahan-Nozeieres-De Dominics) effect, is taken into account by an ab initio band calculation of crystals using the PAW (projected augmented waves) method. The Auger effect is taken into account by a semiempirical method using the approximation of a quadratic dependence of the level width in the valence band on the difference between the level energy and the Fermi energy. The proposed calculation procedure is used to describe the X-ray emission K and L 2,3 bands of metallic magnesium and aluminum crystals. The calculated spectra agree well with the experimental bands both near the Fermi level and in the low-energy part of the spectra in all cases.

Theoretical and experimental determination of L -shell decay rates, line widths, and fluorescence yields in Ge

NASA Astrophysics Data System (ADS)

Guerra, M.; Sampaio, J. M.; Madeira, T. I.; Parente, F.; Indelicato, P.; Marques, J. P.; Santos, J. P.; Hoszowska, J.; Dousse, J.-Cl.; Loperetti, L.; Zeeshan, F.; Müller, M.; Unterumsberger, R.; Beckhoff, B.

2015-08-01

Fluorescence yields (FYs) for the Ge L shell were determined by a theoretical and two experimental groups within the framework of the International Initiative on X-Ray Fundamental Parameters Collaboration. Calculations were performed using the Dirac-Fock method, including relativistic and QED corrections. The experimental value of the L3FY ωL 3 was determined at the Physikalisch-Technische Bundesanstalt undulator beamline of the synchrotron radiation facility BESSY II in Berlin, Germany, and the L α1 ,2 and L β1 line widths were measured at the Swiss Light Source, Paul Scherrer Institute, Switzerland, using monochromatized synchrotron radiation and a von Hamos x-ray crystal spectrometer. The measured fluorescence yields and line widths are compared to the corresponding calculated values.

Potential benefits of solar reflective car shells: cooler cabins, fuel savings and emission reductions

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

Levinson, Ronnen; Pan, Heng; Ban-Weiss, George

Abstract: Vehicle thermal loads and air conditioning ancillary loads are strongly influenced by the absorption of solar energy. The adoption of solar reflective coatings for opaque surfaces of the vehicle shell can decrease the ?soak? temperature of the air in the cabin of a vehicle parked in the sun, potentially reducing the vehicle?s ancillary load and improving its fuel economy by permitting the use of a smaller air conditioner. An experimental comparison of otherwise identical black and silver compact sedans indicated that increasing the solar reflectance (?) of the car?s shell by about 0.5 lowered the soak temperature of breath-levelmore » air by about 5?6?C. Thermal analysis predicts that the air conditioning capacity required to cool the cabin air in the silver car to 25?C within 30min is 13percent less than that required in the black car. Assuming that potential reductions in AC capacity and engine ancillary load scale linearly with increase in shell solar reflectance, ADVISOR simulations of the SC03 driving cycle indicate that substituting a typical cool-colored shell (?=0.35) for a black shell (?=0.05) would reduce fuel consumption by 0.12L per 100km (1.1percent), increasing fuel economy by 0.10kmL?1 [0.24mpg] (1.1percent). It would also decrease carbon dioxide (CO2) emissions by 2.7gkm?1 (1.1percent), nitrogen oxide (NOx) emissions by 5.4mgkm?1 (0.44percent), carbon monoxide (CO) emissions by 17mgkm?1 (0.43percent), and hydrocarbon (HC) emissions by 4.1mgkm?1 (0.37percent). Selecting a typical white or silver shell (?=0.60) instead of a black shell would lower fuel consumption by 0.21L per 100km (1.9percent), raising fuel economy by 0.19kmL?1 [0.44mpg] (2.0percent). It would also decrease CO2 emissions by 4.9gkm?1 (1.9percent), NOx emissions by 9.9mgkm?1 (0.80percent), CO emissions by 31mgkm?1 (0.79percent), and HC emissions by 7.4mgkm?1 (0.67percent). Our simulations may underestimate emission reductions because emissions in standardized driving cycles are typically lower than those in real-world driving.« less

Vacancy-induced brittle to ductile transition of W-M co-doped Al3Ti (M=Si, Ge, Sn and Pb).

PubMed

Zhu, Mingke; Wu, Ping; Li, Qiulin; Xu, Ben

2017-10-25

We investigated the effect of vacancy formation on brittle (D0 22 ) to ductile (L1 2 -like) transition in Al 3 Ti using DFT calculations. The well-known pseudogap on the density of states of Al 3 Ti migrates towards its Fermi level from far above, via a W - M co-doping strategy, where M is Si, Ge, Sn or Pb respectively. In particular, by a W - M co-doping the underline electronic structure of the pseudogap approaches an octahedral (L1 2 : t 2g , e g ) from the tetragonal (D0 22 : e g , b 2g , a 1g , b 1g ) crystal field. Our calculations demonstrated that (1) a W-doping is responsible for the close up of the energy gap between a 1g and b 1g so that they tend to merge into an e g symmetry, and (2) all M-doping lead to a narrower gap between e g and b 2g (moving towards a t 2g symmetry). Thus, a brittle to ductile transition in Al 3 Ti is possible by adopting this W - M co-doping strategy. We further recommend the use of W-Pb co-doped Al 3 Ti to replace the less anodic Al electrode in Al-battery, due to its improved ductility and high Al diffusivity. Finally this study opens a new field in physics to tailor mechanical properties by manipulating electron energy level(s) towards higher symmetry via vacancy optimization.

24 CFR 880.611 - Conditions for receipt of vacancy payments.

Code of Federal Regulations, 2014 CFR

2014-04-01

... leased as of the effective date of the Contract, the owner is entitled to vacancy payments in the amount... administrator of the vacancy or prospective vacancy and the reasons for the vacancy immediately upon learning of...

24 CFR 880.611 - Conditions for receipt of vacancy payments.

Code of Federal Regulations, 2010 CFR

2010-04-01

... leased as of the effective date of the Contract, the owner is entitled to vacancy payments in the amount... administrator of the vacancy or prospective vacancy and the reasons for the vacancy immediately upon learning of...

24 CFR 880.611 - Conditions for receipt of vacancy payments.

Code of Federal Regulations, 2011 CFR

2011-04-01

... leased as of the effective date of the Contract, the owner is entitled to vacancy payments in the amount... administrator of the vacancy or prospective vacancy and the reasons for the vacancy immediately upon learning of...

24 CFR 880.611 - Conditions for receipt of vacancy payments.

Code of Federal Regulations, 2012 CFR

2012-04-01

... leased as of the effective date of the Contract, the owner is entitled to vacancy payments in the amount... administrator of the vacancy or prospective vacancy and the reasons for the vacancy immediately upon learning of...

24 CFR 880.611 - Conditions for receipt of vacancy payments.

Code of Federal Regulations, 2013 CFR

2013-04-01

... leased as of the effective date of the Contract, the owner is entitled to vacancy payments in the amount... administrator of the vacancy or prospective vacancy and the reasons for the vacancy immediately upon learning of...

A study of vacancy defects related to gray tracks in KTiOPO{sub 4} (KTP) using positron annihilation

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

Zhang, Yang; Li, Jing; Wang, Jiyang, E-mail: hdjiang@sdu.edu.cn

For the first time to our knowledge, positron annihilation spectroscopy (PAS) was used to study vacancy defects in KTiOPO{sub 4} (KTP) single crystals. Positron annihilation lifetime spectroscopy combined with dielectric measurements identified the existence of oxygen vacancies and reflected the concentration of vacancy defects in three samples. The vacancy defects in KTP do not consist of monovacancies, but rather vacancy complexes. Doppler broadening indicates that the vacancy defects are distributed uniformly. A relationship is established where a crystal with a low oxygen vacancy concentration and a highly balanced stoichiometry has a higher resistance to gray track formation.

Structure of Multiply Ionized Heavy Ions and Associated Collision Phenomena.

DTIC Science & Technology

1978-10-01

Charge-State Dependence in K-Shell Ionization of Neon, Silicon , and Argon Gases by Lithium Proj ectiles ,” Physics Lett. 60A, 292 (1977). • “Charge...Projectile Charge-State Dependence in K-shell Ionization of Neon, Silicon , and Argon Gases by Lithium Projectiles,” Bull.Am. Phys. Soc. 22, 655 (1977...Probabilities , I . Martinson , ed. (Lunds Univeristet , Lund) , p. 8 (1977) . “Der 252S_2p 2 P° Doublettübergan g in Li-~hnlichem Schwefel , ” Verhandi

Parabolic transformation cloaks for unbounded and bounded cloaking of matter waves

NASA Astrophysics Data System (ADS)

Chang, Yu-Hsuan; Lin, De-Hone

2014-01-01

Parabolic quantum cloaks with unbounded and bounded invisible regions are presented with the method of transformation design. The mass parameters of particles for perfect cloaking are shown to be constant along the parabolic coordinate axes of the cloaking shells. The invisibility performance of the cloaks is inspected from the viewpoints of waves and probability currents. The latter shows the controllable characteristic of a probability current by a quantum cloak. It also provides us with a simpler and more efficient way of exhibiting the performance of a quantum cloak without the solutions of the transformed wave equation. Through quantitative analysis of streamline structures in the cloaking shell, one defines the efficiency of the presented quantum cloak in the situation of oblique incidence. The cloaking models presented here give us more choices for testing and applying quantum cloaking.

Human fascioliasis endemic areas in Argentina: multigene characterisation of the lymnaeid vectors and climatic-environmental assessment of the transmission pattern.

PubMed

Bargues, María Dolores; Malandrini, Jorge Bruno; Artigas, Patricio; Soria, Claudia Cecilia; Velásquez, Jorge Néstor; Carnevale, Silvana; Mateo, Lucía; Khoubbane, Messaoud; Mas-Coma, Santiago

2016-05-27

In South America, fascioliasis stands out due to the human endemic areas in many countries. In Argentina, human endemic areas have recently been detected. Lymnaeid vectors were studied in two human endemic localities of Catamarca province: Locality A beside Taton and Rio Grande villages; Locality B close to Recreo town. Lymnaeids were characterised by the complete sequences of rDNA ITS-2 and ITS-1 and fragments of the mtDNA 16S and cox1. Shell morphometry was studied with the aid of a computer image analysis system. Climate analyses were made by nearest neighbour interpolation from FAO data. Koeppen & Budyko climate classifications were used. De Martonne aridity index and Gorczynski continentality index were obtained. Lymnaeid distribution was assessed in environmental studies. DNA sequences demonstrated the presence of Lymnaea neotropica and L. viator in Locality A and of L. neotropica in Locality B. Two and four new haplotypes were found in L. neotropica and L. viator, respectively. For interspecific differentiation, ITS-1 and 16S showed the highest and lowest resolution, respectively. For intraspecific analyses, cox1 was the best marker and ITS-1 the worst. Shell intraspecific variability overlapped in both species, except maximum length which was greater in L. viator. The desertic-arid conditions surrounding Locality A, the semiaridity-aridity surrounding Locality B, and the very low yearly precipitation in both localities, are very different from the typical fascioliasis transmission foci. Lymnaeids are confined to lateral river side floodings and small man-made irrigation systems. Water availability only depends on the rivers flowing from neighbouring mountains. All disease transmission factors are concentrated in small areas where humans and animals go for water supply, vegetable cultures and livestock farming. The unusually high number of DNA haplotypes and the extreme climate unsuitable for F. hepatica and lymnaeid development, demonstrate that the transmission foci are isolated. Seasonal transmission may depend on the timely overlap of appropriate temperature and river water availability. Lymnaeids and F. hepatica have probably reached these localities by livestock introduction. DNA differences regarding other populations of L. neotropica and L. viator in Argentina suggest an introduction independent from the spreading movements which allowed these two lymnaeids to expand throughout the country.

Measurement of the radiative decay and energy of the metastable $${(2{s}^{2}2{p}_{1/2}^{5}3{s}_{1/2})}_{(J=0)}$$ level in Fe XVII

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

Beiersdorfer, P.; Lopez-Urrutia, J. R. Crespo; Trabert, E.

Measurements at the Livermore electron beam ion trap have been performed in order to infer the energy and the radiative lifetime of themore » $${(1{s}^{2}2{s}^{2}2{p}_{1/2}^{5}3{s}_{1/2})}_{J=0}$$ level in the Fe xvii spectrum. This is the longest-lived level in the neonlike iron ion, and its radiative decay produces the Fe xvii line at 1153 Å, feeding the population of the $${(1{s}^{2}2{s}^{2}2{p}_{3/2}^{5}3{s}_{1/2})}_{J=1}$$ upper level of one of the most prominent lines in the Fe xvii L-shell X-ray spectrum, commonly dubbed $3G$. In the presence of a strong ($$\\geqslant $$ few kG) magnetic field, the $${(1{s}^{2}2{s}^{2}2{p}_{1/2}^{5}3{s}_{1/2})}_{J=0}$$ level has a finite probability to decay directly to the $${(1{s}^{2}2{s}^{2}2{p}^{6})}_{J=0}$$ neonlike ground level via the emission of an L-shell X-ray. Our measurements allow us to observe this X-ray line in the Fe xvii L-shell spectrum and from it to infer the radiative rate for the magnetic dipole decay of the $${(1{s}^{2}2{s}^{2}2{p}_{1/2}^{5}3{s}_{1/2})}_{J=0}$$ level to the $${(1{s}^{2}2{s}^{2}2{p}_{3/2}^{5}3{s}_{1/2})}_{J=1}$$. Our result of $$(1.45\\pm 0.15)\\times {10}^{4}$$ s-1 is in agreement with predictions. We have also measured the wavelength of the associated X-ray line to be 16.804 ± 0.002 Å, which means that the line is displaced 1.20 ± 0.05 eV from the neighboring $${(2{s}^{2}2{p}_{1/2}^{5}3{s}_{1/2})}_{J=1}\\to {(2{s}^{2}2{p}^{6})}_{J=0}$$ transition, commonly labeled $3F$. Furthermore, from our measurement, we infer 5950570 ± 710 cm-1 for the energy of the $${(1{s}^{2}2{s}^{2}2{p}_{1/2}^{5}3{s}_{1/2})}_{J=0}$$ level.« less

Measurement of the radiative decay and energy of the metastable $${(2{s}^{2}2{p}_{1/2}^{5}3{s}_{1/2})}_{(J=0)}$$ level in Fe XVII

DOE PAGES

Beiersdorfer, P.; Lopez-Urrutia, J. R. Crespo; Trabert, E.

2016-01-20

Measurements at the Livermore electron beam ion trap have been performed in order to infer the energy and the radiative lifetime of themore » $${(1{s}^{2}2{s}^{2}2{p}_{1/2}^{5}3{s}_{1/2})}_{J=0}$$ level in the Fe xvii spectrum. This is the longest-lived level in the neonlike iron ion, and its radiative decay produces the Fe xvii line at 1153 Å, feeding the population of the $${(1{s}^{2}2{s}^{2}2{p}_{3/2}^{5}3{s}_{1/2})}_{J=1}$$ upper level of one of the most prominent lines in the Fe xvii L-shell X-ray spectrum, commonly dubbed $3G$. In the presence of a strong ($$\\geqslant $$ few kG) magnetic field, the $${(1{s}^{2}2{s}^{2}2{p}_{1/2}^{5}3{s}_{1/2})}_{J=0}$$ level has a finite probability to decay directly to the $${(1{s}^{2}2{s}^{2}2{p}^{6})}_{J=0}$$ neonlike ground level via the emission of an L-shell X-ray. Our measurements allow us to observe this X-ray line in the Fe xvii L-shell spectrum and from it to infer the radiative rate for the magnetic dipole decay of the $${(1{s}^{2}2{s}^{2}2{p}_{1/2}^{5}3{s}_{1/2})}_{J=0}$$ level to the $${(1{s}^{2}2{s}^{2}2{p}_{3/2}^{5}3{s}_{1/2})}_{J=1}$$. Our result of $$(1.45\\pm 0.15)\\times {10}^{4}$$ s-1 is in agreement with predictions. We have also measured the wavelength of the associated X-ray line to be 16.804 ± 0.002 Å, which means that the line is displaced 1.20 ± 0.05 eV from the neighboring $${(2{s}^{2}2{p}_{1/2}^{5}3{s}_{1/2})}_{J=1}\\to {(2{s}^{2}2{p}^{6})}_{J=0}$$ transition, commonly labeled $3F$. Furthermore, from our measurement, we infer 5950570 ± 710 cm-1 for the energy of the $${(1{s}^{2}2{s}^{2}2{p}_{1/2}^{5}3{s}_{1/2})}_{J=0}$$ level.« less

24 CFR 891.650 - Conditions for receipt of vacancy payments for assisted units.

Code of Federal Regulations, 2010 CFR

2010-04-01

...) Vacancies during rent-up. For each unit that is not leased as of the effective date of the HAP contract, the... the vacancy immediately upon learning of the vacancy or prospective vacancy; (3) Has fulfilled and...

24 CFR 891.650 - Conditions for receipt of vacancy payments for assisted units.

Code of Federal Regulations, 2013 CFR

2013-04-01

...) Vacancies during rent-up. For each unit that is not leased as of the effective date of the HAP contract, the... the vacancy immediately upon learning of the vacancy or prospective vacancy; (3) Has fulfilled and...

24 CFR 891.650 - Conditions for receipt of vacancy payments for assisted units.

Code of Federal Regulations, 2012 CFR

2012-04-01

...) Vacancies during rent-up. For each unit that is not leased as of the effective date of the HAP contract, the... the vacancy immediately upon learning of the vacancy or prospective vacancy; (3) Has fulfilled and...

24 CFR 891.650 - Conditions for receipt of vacancy payments for assisted units.

Code of Federal Regulations, 2011 CFR

2011-04-01

...) Vacancies during rent-up. For each unit that is not leased as of the effective date of the HAP contract, the... the vacancy immediately upon learning of the vacancy or prospective vacancy; (3) Has fulfilled and...

24 CFR 891.650 - Conditions for receipt of vacancy payments for assisted units.

Code of Federal Regulations, 2014 CFR

2014-04-01

...) Vacancies during rent-up. For each unit that is not leased as of the effective date of the HAP contract, the... the vacancy immediately upon learning of the vacancy or prospective vacancy; (3) Has fulfilled and...

Anatomical structure of Camellia oleifera shell.

PubMed

Hu, Jinbo; Shi, Yang; Liu, Yuan; Chang, Shanshan

2018-06-04

The main product of Camellia oleifera is edible oil made from the seeds, but huge quantities of agro-waste are produced in the form of shells. The primary components of C. oleifera fruit shell are cellulose, hemicellulose, and lignin, which probably make it a good eco-friendly non-wood material. Understanding the structure of the shell is however a prerequisite to making full use of it. The anatomical structure of C. oleifera fruit shells was investigated from macroscopic to ultrastructural scale by stereoscopic, optical, and scanning electron microscopy. The main cell morphology in the different parts of the shell was observed and measured using the tissue segregation method. The density of the cross section of the shell was also obtained using an X-ray CT scanner to check the change in texture. The C. oleifera fruit pericarp was made up of exocarp, mesocarp, and endocarp. The main types of exocarp cells were stone cells, spiral vessels, and parenchyma cells. The mesocarp accounted for most of the shell and consisted of parenchyma, tracheids, and some stone cells. The endocarp was basically made up of cells with a thickened cell wall that were modified tracheid or parenchyma cells with secondary wall thickening. The most important ultrastructure in these cells was the pits in the cell wall of stone and vessel cells that give the shell a conducting, mechanical, and protective role. The density of the shell gradually decreased from exocarp to endocarp. Tracheid cells are one of the main cell types in the shell, but their low slenderness (length to width) ratio makes them unsuitable for the manufacture of paper. Further research should be conducted on composite shell-plastic panels (or other reinforced materials) to make better use of this agro-waste.

The Prehistory of the Proposed Clayton Lake Area, Southeast Oklahoma. Phase I Investigations.

DTIC Science & Technology

1979-01-01

TEETH (01-00) 01-01A ( 1 ’• ..:! 1 Table 94 8. Continued SHELL (02-00) Molluscs (02-01) 02-01A Gastropods (02-02) 02-02A Floral (09...02A N=l A fossilized gastropod was recovered from the upper 20 cm of the deposit. Historic Debris (07) GLASS (01-00) 07-01-01A N=l This clear...02-01A N=l This freshwater mussel shell fragment (.01 g) is unburned and occurs at a depth of 20-30 cm. Gastropods (08-02-02) 08-02-02A N=15

An unusual occurrence of Nautilus macromphalus in a cenote in the Loyalty Islands (New Caledonia).

PubMed

Landman, Neil H; Mapes, Royal H; Cochran, J Kirk; Lignier, Vincent; Hembree, Daniel I; Goiran, Claire; Folcher, Eric; Brunet, Philippe

2014-01-01

Exploration of a landlocked cenote on Lifou (Loyalty Islands) revealed 37 shells of the cephalopod Nautilus macromphalus Sowerby, 1849, in saltwater on the cenote floor, approximately 40 m below the water surface. The occurrence of these shells is unusual because N. macromphalus is restricted to the open marine waters surrounding the island. All of the shells are mature, and nearly all of them are unbroken, with faded red-brown color stripes. We analyzed seven shells to determine their age. Radiocarbon dating yielded ages of 6380±30 to 7095±30 y BP. The 238U-series radionuclides 210Pb (half-life  = 22.3 y) and 226Ra (half-life  = 1600 y) also were measured. Two of the samples showed radioactive equilibrium between the nuclides, consistent with the old radiocarbon dates, but the other five samples showed excess 210Pb. When corrected for radioactive decay, the 226Ra activities were much greater than those found in living Nautilus. We conclude that exposure to high activities of 222Rn and 226Ra in the salty groundwater of the cenote altered the activities originally incorporated into the shells. Human placement of the shells in the cavity is rejected based on their radiocarbon age and the geometry of the cenote. The most probable explanation is that the animals entered the flooded karstic system through a connection on the seaward side at approximately 7,000 y BP, during an interval of slowly rising sea level. Unable to find an exit and/or due to anoxic bottom waters, the animals were trapped and died inside. The open connection with the sea persisted for ∼700 y, but after ∼6400 y BP, the connection was lost, probably due to a roof collapse. This is a rare example of Nautilus in a karstic coastal basin and provides a minimum age for the appearance of N. macromphalus in the Loyalty Islands.

An Unusual Occurrence of Nautilus macromphalus in a Cenote in the Loyalty Islands (New Caledonia)

PubMed Central

Landman, Neil H.; Mapes, Royal H.; Cochran, J. Kirk; Lignier, Vincent; Hembree, Daniel I.; Goiran, Claire; Folcher, Eric; Brunet, Philippe

2014-01-01

Exploration of a landlocked cenote on Lifou (Loyalty Islands) revealed 37 shells of the cephalopod Nautilus macromphalus Sowerby, 1849, in saltwater on the cenote floor, approximately 40 m below the water surface. The occurrence of these shells is unusual because N. macromphalus is restricted to the open marine waters surrounding the island. All of the shells are mature, and nearly all of them are unbroken, with faded red-brown color stripes. We analyzed seven shells to determine their age. Radiocarbon dating yielded ages of 6380±30 to 7095±30 y BP. The 238U-series radionuclides 210Pb (half-life  = 22.3 y) and 226Ra (half-life  = 1600 y) also were measured. Two of the samples showed radioactive equilibrium between the nuclides, consistent with the old radiocarbon dates, but the other five samples showed excess 210Pb. When corrected for radioactive decay, the 226Ra activities were much greater than those found in living Nautilus. We conclude that exposure to high activities of 222Rn and 226Ra in the salty groundwater of the cenote altered the activities originally incorporated into the shells. Human placement of the shells in the cavity is rejected based on their radiocarbon age and the geometry of the cenote. The most probable explanation is that the animals entered the flooded karstic system through a connection on the seaward side at approximately 7,000 y BP, during an interval of slowly rising sea level. Unable to find an exit and/or due to anoxic bottom waters, the animals were trapped and died inside. The open connection with the sea persisted for ∼700 y, but after ∼6400 y BP, the connection was lost, probably due to a roof collapse. This is a rare example of Nautilus in a karstic coastal basin and provides a minimum age for the appearance of N. macromphalus in the Loyalty Islands. PMID:25470257

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

Park, Jinhee; Chen, Ying-Pin; Perry, Zachary

A series of molybdenum- and copper-based MOPs were synthesized through coordination-driven process of a bridging ligand (3,3 -PDBAD, L1) and dimetal paddlewheel clusters. Three conformers of the ligand exist with an ideal bridging angle between the two carboxylate groups of 0° (H2α-L1), 120° (H2β-L1), and of 90° (H2γ-L1), respectively. At ambient or lower temperature, H2L1 and Mo2(OAc)4 or Cu2(OAc)4 were crystallized into a molecular square with γ-L1 and Mo2/Cu2 units. With proper temperature elevation, not only the molecular square with γ-L1 but also a lantern-shaped cage with α-L1 formed simultaneously. Similar to how Watson–Crick pairs stabilize the helical structure ofmore » duplex DNA, the core–shell molecular assembly possesses favorable H-bonding interaction sites. This is dictated by the ligand conformation in the shell, coding for the formation and providing stabilization of the central lantern shaped core, which was not observed without this complementary interaction. On the basis of the crystallographic implications, a heterobimetallic cage was obtained through a postsynthetic metal ion metathesis, showing different reactivity of coordination bonds in the core and shell. As an innovative synthetic strategy, the site-selective metathesis broadens the structural diversity and properties of coordination assemblies.« less

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

Park, J; Chen, YP; Perry, Z

A series of molybdenum- and copper-based MOPs were synthesized through coordination-driven process of a bridging ligand (3,3'-PDBAD, L-1) and dimetal paddlewheel clusters. Three conformers of the ligand exist with an ideal bridging angle between the two carboxylate groups of 0 degrees (H-2 zeta-L(1)), 120 degrees (H-2 beta-L-1), and of 90 degrees (H-2 beta-L-1), respectively. At ambient or lower temperature, (HL1)-L-2 and Mo-2(OAc)(4) or Cu-2(OAc)(4) were crystallized into a molecular square with ?-L-1 and Mo-2/Cu-2 units. With proper temperature elevation, not only the molecular square with ?-L-1 but also a lantern-shaped cage with a-L-1 formed simultaneously. Similar to how Watson-Crick pairsmore » stabilize the helical structure of duplex DNA, the core-shell molecular assembly possesses favorable H-bonding interaction sites. This is dictated by the ligand conformation in the shell, coding for the formation and providing stabilization of the central lantern shaped core, which was not observed without this complementary interaction. On the basis of the crystallographic implications, a heterobimetallic cage was obtained through a postsynthetic metal ion metathesis, showing different reactivity of coordination bonds in the core and shell. As an innovative synthetic strategy, the site-selective metathesis broadens the structural diversity and properties of coordination assemblies.« less

Food supply and seawater pCO2 impact calcification and internal shell dissolution in the blue mussel Mytilus edulis.

PubMed

Melzner, Frank; Stange, Paul; Trübenbach, Katja; Thomsen, Jörn; Casties, Isabel; Panknin, Ulrike; Gorb, Stanislav N; Gutowska, Magdalena A

2011-01-01

Progressive ocean acidification due to anthropogenic CO(2) emissions will alter marine ecosystem processes. Calcifying organisms might be particularly vulnerable to these alterations in the speciation of the marine carbonate system. While previous research efforts have mainly focused on external dissolution of shells in seawater under saturated with respect to calcium carbonate, the internal shell interface might be more vulnerable to acidification. In the case of the blue mussel Mytilus edulis, high body fluid pCO(2) causes low pH and low carbonate concentrations in the extrapallial fluid, which is in direct contact with the inner shell surface. In order to test whether elevated seawater pCO(2) impacts calcification and inner shell surface integrity we exposed Baltic M. edulis to four different seawater pCO(2) (39, 142, 240, 405 Pa) and two food algae (310-350 cells mL(-1) vs. 1600-2000 cells mL(-1)) concentrations for a period of seven weeks during winter (5°C). We found that low food algae concentrations and high pCO(2) values each significantly decreased shell length growth. Internal shell surface corrosion of nacreous ( = aragonite) layers was documented via stereomicroscopy and SEM at the two highest pCO(2) treatments in the high food group, while it was found in all treatments in the low food group. Both factors, food and pCO(2), significantly influenced the magnitude of inner shell surface dissolution. Our findings illustrate for the first time that integrity of inner shell surfaces is tightly coupled to the animals' energy budget under conditions of CO(2) stress. It is likely that under food limited conditions, energy is allocated to more vital processes (e.g. somatic mass maintenance) instead of shell conservation. It is evident from our results that mussels exert significant biological control over the structural integrity of their inner shell surfaces.

Following electron impact excitations of Rn, Ra, Th, U and Pu single atom L sub-shells ionization cross section calculations by using Lotz’s equation

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

Ayinol, M., E-mail: aydinolm@dicle.edu.tr; Aydeniz, D., E-mail: daydeniz@hotmail.com

L shell ionization cross section and L{sub i} subshells ionization cross sections of Rn, Ra, Th, U, Pu atoms calculated. For each of atoms, ten different electron impact energy values (E{sub o}) are used. Calculations carried out by using Lotz equation in Matlab. First, calculations done for non-relativistic case by using non-relativistic Lotz equation then repeated with relativistic Lotz equation. σ{sub L} total and σ{sub Li}(i = 1,2,3) subshells ionisation cross section values obtained for E{sub o} values in the energy range of E{sub Li}

Ordered array of CoPc-vacancies filled with single-molecule rotors

NASA Astrophysics Data System (ADS)

Xie, Zheng-Bo; Wang, Ya-Li; Tao, Min-Long; Sun, Kai; Tu, Yu-Bing; Yuan, Hong-Kuan; Wang, Jun-Zhong

2018-05-01

We report the highly ordered array of CoPc-vacancies and the single-molecule rotors inside the vacancies. When CoPc molecules are deposited on Cd(0001) at low-temperature, three types of molecular vacancies appeared randomly in the CoPc monolayer. Annealing the sample to higher temperature leads to the spontaneous phase separation and self-organized arrangement of the vacancies. Highly ordered arrays of two-molecule vacancies and single-molecule vacancies have been obtained. In particular, there is a rotating CoPc molecule inside each single-molecule vacancy, which constitutes the array of single-molecule rotors. These results provide a new routine to fabricate the nano-machines on a large scale.

B80 and B101-103 clusters: Remarkable stability of the core-shell structures established by validated density functionalsa)

NASA Astrophysics Data System (ADS)

Li, Fengyu; Jin, Peng; Jiang, De-en; Wang, Lu; Zhang, Shengbai B.; Zhao, Jijun; Chen, Zhongfang

2012-02-01

Prompted by the very recent claim that the volleyball-shaped B80 fullerene [X. Wang, Phys. Rev. B 82, 153409 (2010), 10.1103/PhysRevB.82.153409] is lower in energy than the B80 buckyball [N. G. Szwacki, A. Sadrzadeh, and B. I. Yakobson, Phys. Rev. Lett. 98, 166804 (2007), 10.1103/PhysRevLett.98.166804] and core-shell structure [J. Zhao, L. Wang, F. Li, and Z. Chen, J. Phys. Chem. A 114, 9969 (2010), 10.1021/jp1018873], and inspired by the most recent finding of another core-shell isomer as the lowest energy B80 isomer [S. De, A. Willand, M. Amsler, P. Pochet, L. Genovese, and S. Goedecher, Phys. Rev. Lett. 106, 225502 (2011), 10.1103/PhysRevLett.106.225502], we carefully evaluated the performance of the density functional methods in the energetics of boron clusters and confirmed that the core-shell construction (stuffed fullerene) is thermodynamically the most favorable structural pattern for B80. Our global minimum search showed that both B101 and B103 also prefer a core-shell structure and that B103 can reach the complete core-shell configuration. We called for great attention to the theoretical community when using density functionals to investigate boron-related nanomaterials.

New aragonite 87Sr/86Sr records of Mesozoic ammonoids and approach to the problem of N, O, C and Sr isotope cycles in the evolution of the Earth

NASA Astrophysics Data System (ADS)

Zakharov, Yuri D.; Dril, Sergei I.; Shigeta, Yasunari; Popov, Alexander M.; Baraboshkin, Eugenij Y.; Michailova, Irina A.; Safronov, Peter P.

2018-02-01

New Sr isotope data from well-preserved aragonite ammonoid shell material from the Mesozoic are compared with that from a living Nautilus shell. The prominent negative Sr isotope excursions known from the Middle Permian, Jurassic and Cretaceous probably have their origins in intensive plate tectonic activity, followed by enhanced hydrothermal activity at the mid-ocean ridges (mantle volcanism) which supplied low radiogenic Sr to seawater. The maximum positive (radiogenic) shift in the lower Mesozoic Sr isotope curve (Lower Triassic peak) was likely caused by a significant expansion of dry land surfaces (Dabie-Sulu Triassic orogeny) and their intensive silicate weathering in conditions of extreme warming and aridity in the very end of the Smithian, followed by warm and humid conditions in the late Spathian, which apparently resulted in a significant oceanic input of radiogenic Sr through riverine flux. The comparatively high 87Sr/86Sr ratio obtained from the living Nautilus shell is probably a function of both the Alpine orogeny, which was accompanied by significant continental weathering and input of radiogenic Sr to the oceans, and the weakening of mantle volcanism.

Identification of Zn-vacancy-hydrogen complexes in ZnO single crystals: A challenge to positron annihilation spectroscopy

NASA Astrophysics Data System (ADS)

Brauer, G.; Anwand, W.; Grambole, D.; Grenzer, J.; Skorupa, W.; Čížek, J.; Kuriplach, J.; Procházka, I.; Ling, C. C.; So, C. K.; Schulz, D.; Klimm, D.

2009-03-01

A systematic study of various, nominally undoped ZnO single crystals, either hydrothermally grown (HTG) or melt grown (MG), has been performed. The crystal quality has been assessed by x-ray diffraction, and a comprehensive estimation of the detailed impurity and hydrogen contents by inductively coupled plasma mass spectrometry and nuclear reaction analysis, respectively, has been made also. High precision positron lifetime experiments show that a single positron lifetime is observed in all crystals investigated, which clusters at 180-182 ps and 165-167 ps for HTG and MG crystals, respectively. Furthermore, hydrogen is detected in all crystals in a bound state with a high concentration (at least 0.3at.% ), whereas the concentrations of other impurities are very small. From ab initio calculations it is suggested that the existence of Zn-vacancy-hydrogen complexes is the most natural explanation for the given experimental facts at present. Furthermore, the distribution of H at a metal/ZnO interface of a MG crystal, and the H content of a HTG crystal upon annealing and time afterward has been monitored, as this is most probably related to the properties of electrical contacts made at ZnO and the instability in p -type conductivity observed at ZnO nanorods in literature. All experimental findings and presented theoretical considerations support the conclusion that various types of Zn-vacancy-hydrogen complexes exist in ZnO and need to be taken into account in future studies, especially for HTG materials.

Morphology of high-latitude plasma density perturbations as deduced from the total electron content measurements onboard the Swarm constellation

NASA Astrophysics Data System (ADS)

Park, Jaeheung; Lühr, Hermann; Kervalishvili, Guram; Rauberg, Jan; Stolle, Claudia; Kwak, Young-Sil; Lee, Woo Kyoung

2017-01-01

In this study, we investigate the climatology of high-latitude total electron content (TEC) variations as observed by the dual-frequency Global Navigation Satellite Systems (GNSS) receivers onboard the Swarm satellite constellation. The distribution of TEC perturbations as a function of geographic/magnetic coordinates and seasons reasonably agrees with that of the Challenging Minisatellite Payload observations published earlier. Categorizing the high-latitude TEC perturbations according to line-of-sight directions between Swarm and GNSS satellites, we can deduce their morphology with respect to the geomagnetic field lines. In the Northern Hemisphere, the perturbation shapes are mostly aligned with the L shell surface, and this anisotropy is strongest in the nightside auroral (substorm) and subauroral regions and weakest in the central polar cap. The results are consistent with the well-known two-cell plasma convection pattern of the high-latitude ionosphere, which is approximately aligned with L shells at auroral regions and crossing different L shells for a significant part of the polar cap. In the Southern Hemisphere, the perturbation structures exhibit noticeable misalignment to the local L shells. Here the direction toward the Sun has an additional influence on the plasma structure, which we attribute to photoionization effects. The larger offset between geographic and geomagnetic poles in the south than in the north is responsible for the hemispheric difference.

Advanced spectroscopic analysis of 0.8-1.0-MA Mo x pinches and the influence of plasma electron beams on L-shell spectra of Mo ions.

PubMed

Shlyaptseva, A S; Hansen, S B; Kantsyrev, V L; Fedin, D A; Ouart, N; Fournier, K B; Safronova, U I

2003-02-01

This paper presents a detailed investigation of the temporal, spatial, and spectroscopic properties of L-shell radiation from 0.8 to 1.0 MA Mo x pinches. Time-resolved measurements of x-ray radiation and both time-gated and time-integrated spectra and pinhole images are presented and analyzed. High-current x pinches are found to have complex spatial and temporal structures. A collisional-radiative kinetic model has been developed and used to interpret L-shell Mo spectra. The model includes the ground state of every ionization stage of Mo and detailed structure for the O-, F-, Ne-, Na-, and Mg-like ionization stages. Hot electron beams generated by current-carrying electrons in the x pinch are modeled by a non-Maxwellian electron distribution function and have significant influence on L-shell spectra. The results of 20 Mo x-pinch shots with wire diameters from 24 to 62 microm have been modeled. Overall, the modeled spectra fit the experimental spectra well and indicate for time-integrated spectra electron densities between 2 x 10(21) and 2 x 10(22) cm(-3), electron temperatures between 700 and 850 eV, and hot electron fractions between 3% and 7%. Time-gated spectra exhibit wide variations in temperature and density of plasma hot spots during the same discharge.

Vacancies and Vacancy-Mediated Self Diffusion in Cr 2 O 3 : A First-Principles Study

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

Medasani, Bharat; Sushko, Maria L.; Rosso, Kevin M.

Charged and neutral vacancies and vacancy mediated self diffusion in alpha-Cr2O3 were investigated using first principles density functional theory (DFT) and periodic supercell formalism. The vacancy formation energies of charged defects were calculated using the electrostatic finite-size corrections to account for electrostatic interactions between supercells and the corrections for the bandgap underestimation in DFT. Calculations predict that neutral oxygen (O) vacancies are predominant in chromium (Cr)-rich conditions and Cr vacancies with -2 charge state are the dominant defects in O-rich conditions. The charge transition levels of both O and Cr vacancies are deep within the bandgap indicating the stability ofmore » these defects. Transport calculations indicate that vacancy mediated diffusion along the basal plane has lower energy barriers for both O and Cr ions. The most favorable vacancy mediated self diffusion processes correspond to the diffusion of Cr ion in 3+ charge state and O ion in 2- state, respectively. Our calculations reveal that Cr triple defects comprised of Cr in octahedral interstitial sites with two adjacent Cr vacancies along the c-axis have a lower formation energy compared to that of charged Cr vacancies. The formation of such triple defects facilitate Cr self diffusion along the c-axis.« less

Effects of pollution on land snail abundance, size and diversity as resources for pied flycatcher, Ficedula hypoleuca.

PubMed

Eeva, Tapio; Rainio, Kalle; Suominen, Otso

2010-09-01

Passerine birds need extra calcium during their breeding for developing egg shells and proper growth of nestling skeleton. Land snails are an important calcium source for many passerines and human-induced changes in snail populations may pose a severe problem for breeding birds. We studied from the bird's viewpoint how air pollution affects the shell mass, abundance and diversity of land snail communities along a pollution gradient of a copper smelter. We sampled remnant snail shells from the nests of an insectivorous passerine, the pied flycatcher, Ficedula hypoleuca, to find out how the availability of land snails varies along the pollution gradient. The total snail shell mass increased towards the pollution source but declined abruptly in the vicinity of the smelter. This spatial variation in shell mass was evident also within a single snail species and could not be wholly explained by spatially varying snail numbers or species composition. Instead, the total shell mass was related to their shell size, individuals being largest at the moderately polluted areas. Smaller shell size suggests inferior growth of snails in the most heavily polluted area. Our study shows that pollution affects the diversity, abundance (available shell mass) and individual quality of land snails, posing reproductive problems for birds that rely on snails as calcium sources during breeding. There are probably both direct pollution-related (heavy metal and calcium levels) and indirect (habitat change) effects behind the observed changes in snail populations. Copyright 2010 Elsevier B.V. All rights reserved.

Empirical calibration of shell chemistry of Cyprideis torosa (Jones, 1850) (Crustacea: Ostracoda)

NASA Astrophysics Data System (ADS)

Marco-Barba, J.; Ito, E.; Carbonell, E.; Mesquita-Joanes, F.

2012-09-01

Cyprideis torosa is a species of ostracode that inhabits a wide range of aquatic habitats in which its low Alk/Ca requirement is met. Its fossil remains are widely used in palaeoecological studies of coastal environments and inland salt lakes. We collected C. torosa from 20 water bodies near Valencia, Spain. Temperature, chlorophyll a concentration, electrical conductivity, and the concentration of major ions and oxygen isotopes were measured at each site. Between 2 and 20 live individuals of C. torosa were collected per site, their instar stage and sex determined and their shell chemistry (Mg/Ca, Sr/Ca and carbon and oxygen isotope composition) analyzed. Three of these sites were sampled monthly for one year, and ostracode population structure and shell chemistry (20-40 shells) were analyzed. The water chemistry varied widely between sites. TDS (total dissolved solids) ranged from 0.5 to 71.8 g/L but chloride was always the dominant anion. There is a significant positive relationship between ostracode and water δ18O except at high TDS (>20 g/L) when shell δ18O values are lower than expected. No effect of either temperature or water Mg/Ca is observed on the Mg/Ca in the ostracode calcite in waters with Mg/Ca < 6 (molar ratio). Ostracode shell Sr/Ca is strongly and significantly related to water Sr/Ca. δ13C values in C. torosa shells are ˜2‰ lower than observed δ13CDIC. These results provide new and more accurate quantification tools to reconstruct past hydrochemistry from C. torosa shells.

Improved open-circuit voltage in polymer/oxide-nanoarray hybrid solar cells by formation of homogeneous metal oxide core/shell structures.

PubMed

Wu, Fan; Cui, Qi; Qiu, Zeliang; Liu, Changwen; Zhang, Hui; Shen, Wei; Wang, Mingtai

2013-04-24

Incorporation of vertically aligned nanorod/nanowire arrays of metal oxide (oxide-NAs) with a polymer can produce efficient hybrid solar cells with an ideal bulk-heterojunction architecture. However, polymer/oxide-NAs solar cells still suffer from a rather low (normally, < 0.4 V) open-circuit voltage (Voc). Here we demonstrate, for the first time, a novel strategy to improve the Voc in polymer/oxide-NAs solar cells by formation of homogeneous core/shell structures and reveal the intrinsic principles involved therein. A feasible hydrothermal-solvothermal combined method is developed for preparing homogeneous core/shell nanoarrays of metal oxides with a single-crystalline nanorod as core and the aggregation layer of corresponding metal oxide quantum dots (QDs) as shell, and the shell thickness (L) is easily controlled by the solvothermal reaction time for growing QDs on the nanorod. The core/shell formation dramatically improves the device Voc up to ca. 0.7-0.8 V depending on L. Based on steady-state and dynamic measurements, as well as modeling by space-charge-limited current method, it is found that the improved Voc originates from the up-shifted conduction band edge in the core by the interfacial dipole field resulting from the decreased mobility difference between photogenerated electrons and holes after the shell growth, which increases the energy difference between the quasi-Fermi levels of photogenerated electrons in the core and holes in the polymer for a higher Voc. Our results indicate that increasing Voc by the core/shell strategy seems not to be dependent on the kinds of metal oxides.

Gamma Irradiation of in-Shell and Blanched Peanuts Protects against Mycotoxic Fungi and Retains Their Nutraceutical Components during Long-Term Storage

PubMed Central

de Camargo, Adriano Costa; de Souza Vieira, Thais Maria Ferreira; Regitano-d’Arce, Marisa Aparecida Bismara; de Alencar, Severino Matias; Calori-Domingues, Maria Antonia; Spoto, Marta Helena Fillet; Canniatti-Brazaca, Solange Guidolin

2012-01-01

Peanut samples were irradiated (0.0, 5.2, 7.2 or 10.0 kGy), stored for a year (room temperature) and examined every three months. Mycotoxic fungi (MF) were detected in non-irradiated blanched peanuts. A dose of 5.2 kGy was found suitable to prevent MF growth in blanched samples. No MF was detected in in-shell peanuts, with or without irradiation. The colors of the control in-shell and blanched samples were, respectively, 44.72 and 60.21 (L *); 25.20 and 20.38 (Chroma); 53.05 and 86.46 (°Hue). The water activities (Aw) were 0.673 and 0.425. The corresponding fatty acids were 13.33% and 12.14% (C16:0), 44.94% and 44.92% (C18:1, ω9) and 37.10% and 37.63% (C18:2, ω6). The total phenolics (TP) were 4.62 and 2.52 mg GAE/g, with antioxidant activities (AA) of 16.97 and 10.36 μmol TEAC/g. Storage time negatively correlated with Aw (in-shell peanuts) or L *, linoleic acid, TP and AA (in-shell and blanched peanuts) but positively correlated with Aw (blanched peanuts), and with oleic acid (in-shell and blanched peanuts). Irradiation positively correlated with antioxidant activity (blanched peanuts). No correlation was found between irradiation and AA (in-shell samples) or fatty acids and TP (in-shell and blanched peanuts). Irradiation protected against MF and retained both the polyunsaturated fatty acids and polyphenols in the samples. PMID:23109830

ISICS2011, an updated version of ISICS: A program for calculation K-, L-, and M-shell cross sections from PWBA and ECPSSR theories using a personal computer

NASA Astrophysics Data System (ADS)

Cipolla, Sam J.

2011-11-01

In this new version of ISICS, called ISICS2011, a few omissions and incorrect entries in the built-in file of electron binding energies have been corrected; operational situations leading to un-physical behavior have been identified and flagged. New version program summaryProgram title: ISICS2011 Catalogue identifier: ADDS_v5_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADDS_v5_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 6011 No. of bytes in distributed program, including test data, etc.: 130 587 Distribution format: tar.gz Programming language: C Computer: 80486 or higher-level PCs Operating system: WINDOWS XP and all earlier operating systems Classification: 16.7 Catalogue identifier of previous version: ADDS_v4_0 Journal reference of previous version: Comput. Phys. Commun. 180 (2009) 1716. Does the new version supersede the previous version?: Yes Nature of problem: Ionization and X-ray production cross section calculations for ion-atom collisions. Solution method: Numerical integration of form factor using a logarithmic transform and Gaussian quadrature, plus exact integration limits. Reasons for new version: General need for higher precision in output format for projectile energies; some built-in binding energies needed correcting; some anomalous results occur due to faulty read-in data or calculated parameters becoming un-physical; erroneous calculations could result for the L and M shells when restricted K-shell options are inadvertently chosen; to achieve general compatibility with ISICSoo, a companion C++ version that is portable to Linux and MacOS platforms, has been submitted for publication in the CPC Program Library approximately at the same time as this present new standalone version of ISICS [1]. Summary of revisions: The format field for projectile energies in the output has been expanded from two to four decimal places in order to distinguish between closely spaced energy values. There were a few entries in the executable binding energy file that needed correcting; K shell of Eu, M shells of Zn, M1 shell of Kr. The corrected values were also entered in the ENERGY.DAT file. In addition, an alternate data file of binding energies is included, called ENERGY_GW.DAT, which is more up-to-date [2]. Likewise, an alternate atomic parameters data file is now included, called FLOURE_JC.DAT, which is more up-to-date [3] fluorescence yields for the K and L shells and Coster-Kronig parameters for the L shell. Both data files can be read in using the -f usage option. To do this, the original energy file should be renamed and saved (e.g., ENERGY_BB.DAT) and the new file (ENERGY_GW.DAT ) should be duplicated as ENERGY.DAT to be read in using the -f option. Similarly for reading in an alternate FLOURE.DAT file. As with previous versions, the user can also simply input different values of any input quantity by invoking the "specify your own parameters" option from the main menu. You can also use this option to simply check the values of the built-in values of the parameters. If it still happens that a zero binding energy for a particular sub-shell is read in, the program will not completely abort, but will calculate results for the other sub-shells while setting the affected sub-shell output to zero. In calculating the Coulomb deflection factor, if the quantity inside the radical sign of the parameter z z=√{(1} becomes zero or negative, to prevent the program from aborting, the PWBA cross sections are still calculated while the ECPSSR cross sections are set to zero. This situation can happen for very low energy collisions, such as were noticed for helium ions on copper at energies of E⩽11.2 keV. It was observed during the engineering of ISICSoo [1] that erroneous calculations could result for the L- and M-shell cases when restricted K-shell R or HSR scaling options were inappropriately chosen. The program has now been fixed so that these inappropriate options are ignored for the L and M shells. In the previous versions, the usage for inputting a batch data file was incorrectly stated in the Users Manual as -Bxxx; the correct designation is -Fxxx, or alternatively, -Ixxx, as indicated on the usage screen in running the program. A revised Users Manual is also available. Restrictions: The consumed CPU time increases with the atomic shell (K, L, M), but execution is still very fast. Running time: This depends on which shell and the number of different energies to be used in the calculation. The running time is not significantly changed from the previous version.

Space radiation test model study. Report for 20 May 1985-20 February 1986

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

Nightingale, R.W.; Chiu, Y.T.; Davidson, G.T.

1986-03-14

Dynamic models of the energetic populations in the outer radiation belts are being developed to better understand the extreme variations of particle flux in response to magnetospheric and solar activity. The study utilizes the SCATHA SC3 high-energy electron data, covering energies from 47 keV to 5 MeV with fine pitch-angle measurements (3 deg field of view) over the L-shell range of 5.3 to 8.7. Butter-fly distributions in the dusk sector signify particle losses due to L shell splitting of the particle-drift orbits and the subsequent scattering of the particles from the orbits by the magnetopause. To model the temporal variationsmore » and diffusion procsses of the particle populations, the data were organized into phase-space distributions, binned according to altitude (L shell), energy, pitch angle, and time. These distributions can then be mapped to the equator and plotted for fixed first and second adiabatic invariants of the inherent particle motion. A new and efficient method for calculating the third adiabatic invariant using a line integral of the relevant magnetic potential at the particle mirror points has been developed and is undergoing testing. This method will provide a useful means of displaying the radial diffusion signatures of the outer radiation belts during the more-active periods when the L shell parameter is not a good concept due to severe drift-shell splitting. The first phase of fitting the energetic-electron phase-space distributions with a combined radial and pitch-angle diffusion formulation is well underway. Bessel functions are being fit to the data in an eigenmode expansion method to determine the diffusion coefficients.« less

How the hydrophobic factor drives protein folding

PubMed Central

Baldwin, Robert L.; Rose, George D.

2016-01-01

How hydrophobicity (HY) drives protein folding is studied. The 1971 Nozaki–Tanford method of measuring HY is modified to use gases as solutes, not crystals, and this makes the method easy to use. Alkanes are found to be much more hydrophobic than rare gases, and the two different kinds of HY are termed intrinsic (rare gases) and extrinsic (alkanes). The HY values of rare gases are proportional to solvent-accessible surface area (ASA), whereas the HY values of alkanes depend on special hydration shells. Earlier work showed that hydration shells produce the hydration energetics of alkanes. Evidence is given here that the transfer energetics of alkanes to cyclohexane [Wolfenden R, Lewis CA, Jr, Yuan Y, Carter CW, Jr (2015) Proc Natl Acad Sci USA 112(24):7484–7488] measure the release of these shells. Alkane shells are stabilized importantly by van der Waals interactions between alkane carbon and water oxygen atoms. Thus, rare gases cannot form this type of shell. The very short (approximately picoseconds) lifetime of the van der Waals interaction probably explains why NMR efforts to detect alkane hydration shells have failed. The close similarity between the sizes of the opposing energetics for forming or releasing alkane shells confirms the presence of these shells on alkanes and supports Kauzmann's 1959 mechanism of protein folding. A space-filling model is given for the hydration shells on linear alkanes. The model reproduces the n values of Jorgensen et al. [Jorgensen WL, Gao J, Ravimohan C (1985) J Phys Chem 89:3470–3473] for the number of waters in alkane hydration shells. PMID:27791131

Imaging and estimating the surface heterogeneity on a droplet containing cosolvents.

PubMed

Fang, Xiaohua; Li, Bingquan; Wu, Jun; Maldarelli, Charles; Sokolov, Jonathan C; Rafailovich, Miriam H; Somasundaran, Ponisseril

2009-07-23

Cosolvents have numerous applications in many industries as well as scientific research. The shortage in the knowledge of the structures in a cosolvent system is significant. In this work, we display the spatial as well as the kinetic distribution of the cosolvents using droplets as paradigms. When an alcohol/water-containing sessile droplet evaporates on a substrate, it phase segregates into a water-enriched core and a thin alcohol prevailing shell. This is considered to be due to the different escaping rate of solvents out of the liquid-vapor (l-v) interfaces. In between the core and shell phases, there exists a rough and solid-like liquid-liquid (l-l) wall interface as marked by the fluorescent polystyrene spheres and imaged by a confocal microscope. Holes and patches of beads are observed to form on this phase boundary. The water-dispersed beads prefer to partition within the core. The shell prevails in the droplet during most of the drying and shrinks with the l-v boundary. By monitoring the morphological progression of the droplet, the composition of the cosolvent at the liquid-vapor interface is obtained.

Determination of krypton diffusion coefficients in uranium dioxide using atomic scale calculations

DOE PAGES

Vathonne, Emerson; Andersson, David Ragnar Anders; Freyss, Michel; ...

2016-12-16

We present a study of the diffusion of krypton in UO 2 using atomic scale calculations combined with diffusion models adapted to the system studied. The migration barriers of the elementary mechanisms for interstitial or vacancy assisted migration are calculated in the DFT + U framework using the nudged elastic band method. The attempt frequencies are obtained from the phonon modes of the defect at the initial and saddle points using empirical potential methods. The diffusion coefficients of Kr in UO 2 are then calculated by combining this data with diffusion models accounting for the concentration of vacancies and themore » interaction of vacancies with Kr atoms. We determined the preferred mechanism for Kr migration and the corresponding diffusion coefficient as a function of the oxygen chemical potential μ O or nonstoichiometry. For very hypostoichiometric (or U-rich) conditions, the most favorable mechanism is interstitial migration. For hypostoichiometric UO 2, migration is assisted by the bound Schottky defect and the charged uranium vacancy, V U 4–. Around stoichiometry, migration assisted by the charged uranium–oxygen divacancy (V UO 2–) and V U 4– is the favored mechanism. Finally, for hyperstoichiometric or O-rich conditions, the migration assisted by two V U 4– dominates. Kr migration is enhanced at higher μ O, and in this regime, the activation energy will be between 4.09 and 0.73 eV depending on nonstoichiometry. The experimental values available are in the latter interval. Since it is very probable that these values were obtained for at least slightly hyperstoichiometric samples, our activation energies are consistent with the experimental data, even if further experiments with precisely controlled stoichiometry are needed to confirm these results. Finally, the mechanisms and trends with nonstoichiometry established for Kr are similar to those found in previous studies of Xe.« less

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

Dholabhai, Pratik P., E-mail: pratik.dholabhai@asu.ed; Anwar, Shahriar, E-mail: anwar@asu.ed; Adams, James B., E-mail: jim.adams@asu.ed

Kinetic lattice Monte Carlo (KLMC) model is developed for investigating oxygen vacancy diffusion in praseodymium-doped ceria. The current approach uses a database of activation energies for oxygen vacancy migration, calculated using first-principles, for various migration pathways in praseodymium-doped ceria. Since the first-principles calculations revealed significant vacancy-vacancy repulsion, we investigate the importance of that effect by conducting simulations with and without a repulsive interaction. Initially, as dopant concentrations increase, vacancy concentration and thus conductivity increases. However, at higher concentrations, vacancies interfere and repel one another, and dopants trap vacancies, creating a 'traffic jam' that decreases conductivity, which is consistent with themore » experimental findings. The modeled effective activation energy for vacancy migration slightly increased with increasing dopant concentration in qualitative agreement with the experiment. The current methodology comprising a blend of first-principle calculations and KLMC model provides a very powerful fundamental tool for predicting the optimal dopant concentration in ceria related materials. -- graphical abstract: Ionic conductivity in praseodymium doped ceria as a function of dopant concentration calculated using the kinetic lattice Monte Carlo vacancy-repelling model, which predicts the optimal composition for achieving maximum conductivity. Display Omitted Research highlights: {yields} KLMC method calculates the accurate time-dependent diffusion of oxygen vacancies. {yields} KLMC-VR model predicts a dopant concentration of {approx}15-20% to be optimal in PDC. {yields} At higher dopant concentration, vacancies interfere and repel one another, and dopants trap vacancies. {yields} Activation energy for vacancy migration increases as a function of dopant content« less

Slow positrons in single-crystal samples of Al and Al-AlxOy

NASA Astrophysics Data System (ADS)

Lynn, K. G.; Lutz, H.

1980-11-01

Well-characterized Al(111) and Al(100) samples were studied with monoenergetic positrons before and after exposure to oxygen. Both positronium-formation and positron-emission curves were obtained for various incident positron energies at sample temperatures ranging from 160-900 K. The orthopositronium decay signal provides a unique signature that the positron has emerged from the surface region of a clean metal. In the clean Al crystals part of the positronium formed near the surface is found to be associated with a temperature-activated process described as the thermally activated detrapping of a positron from a surface state. A simple positron diffusion model, including surface and vacancy trapping, is fitted to the positronium data and an estimate of the binding energy of the positron in this trap is made. The positron diffusion constant is found to have a negative temperature dependence before the onset of positron trapping at thermally generated monovacancies (>500 K), in reasonable agreement with theoretical predictions. The depth of the positron surface state is reduced or positronium is formed in the chemisorbed layer as oxygen is adsorbed on both Al sample surfaces, thus increasing the positronium fraction and decreasing the positron emission. At higher oxygen exposures [>500 L (1 L = 10-6 torr sec)] positron or positronium traps are generated in the overlayer and the positronium fraction is reduced. The amorphous-to-crystalline surface transition of AlxOy on Al is observed between 650 and 800 K by the change in the positronium fraction and is interpreted as the removal of trapping centers in the metal-oxide overlayer. At the higher temperatures and incident energies vacancy trapping is observed by the decrease in the positron diffusion length in both the clean and the underlying Al of the oxygen-exposed samples. Similar vacancy formation enthalpies for Al are extracted in both the clean and oxygen-covered samples by a simple model and are in good agreement with those measured by other experimental methods. This technique provides a new experimental means for the study of interfaces and thin films and the vacancy-type defects associated with them.

Design of epoxy-functionalized Fe3O4@MCM-41 core-shell nanoparticles for enzyme immobilization.

PubMed

Ulu, Ahmet; Ozcan, Imren; Koytepe, Suleyman; Ates, Burhan

2018-05-01

The scope of our research was to prepare the organosilane-modified Fe 3 O 4 @MCM-41 core-shell magnetic nanoparticles, used for L-ASNase immobilization and explored screening of immobilization conditions such as pH, temperature, thermal stability, kinetic parameters, reusability and storage stability. In this content, Fe 3 O 4 core-shell magnetic nanoparticles were prepared via co-precipitation method and coated with MCM-41. Then, Fe 3 O 4 @MCM-41 magnetic nanoparticles were functionalized by (3-glycidyloxypropyl) trimethoxysilane (GPTMS) as an organosilane compound. Subsequently, L-ASNase was covalently immobilized on epoxy-functionalized Fe 3 O 4 @MCM-41 magnetic nanoparticles. The immobilized L-ASNase had greater activity at high pH and temperature values. It also maintained >92% of the initial activity after incubation at 55 °C for 3 h. Regarding kinetic values, immobilized L-ASNase showed a higher Vmax and lower Km compared to native L-ASNase. In addition, it displayed excellent reusability for 12 successive cycles. After 30 days of storage at 4 °C and 25 °C, immobilized L-ASNase retained 54% and 26% of its initial activities while native L-ASNase lost about 68% and 84% of its initial activity, respectively. As a result, the immobilization of L-ASNase onto magnetic nanoparticles may provide an advantage in terms of removal of L-ASNase from reaction media. Copyright © 2018. Published by Elsevier B.V.

HD 38452 - J. R. Hind's star that changed colour

NASA Technical Reports Server (NTRS)

Warner, Brian; Sneden, Christopher

1988-01-01

In 1851, John Russell Hind announced that a star previously observed by him to be very red had become bluish white in color. It is shown that this star, HD 38451, is a ninth magnitude shell star which presumably was ejecting a shell when Hind first observed it. From high dispersion coude spectra, low dispersion IUE spectra, and ground-based photometry, HD 38451 is found to be a normal A21V shell star. Its current values of E(B-V) of about 0.14 is probably caused by interstellar rather than circumstellar reddening. There remains a problem to reconcile the large amount of reddening present when Hind first observed the star with its evidently small diminution in visual brightness at that time.

Initial measurements of O-ion and He-ion decay rates observed from the Van Allen probes RBSPICE instrument

PubMed Central

Gerrard, Andrew; Lanzerotti, Louis; Gkioulidou, Matina; Mitchell, Donald; Manweiler, Jerry; Bortnik, Jacob; Keika, Kunihiro

2014-01-01

H-ion (∼45 keV to ∼600 keV), He-ion (∼65 keV to ∼520 keV), and O-ion (∼140 keV to ∼1130 keV) integral flux measurements, from the Radiation Belt Storm Probe Ion Composition Experiment (RBSPICE) instrument aboard the Van Allan Probes spacecraft B, are reported. These abundance data form a cohesive picture of ring current ions during the first 9 months of measurements. Furthermore, the data presented herein are used to show injection characteristics via the He-ion/H-ion abundance ratio and the O-ion/H-ion abundance ratio. Of unique interest to ring current dynamics are the spatial-temporal decay characteristics of the two injected populations. We observe that He-ions decay more quickly at lower L shells, on the order of ∼0.8 day at L shells of 3–4, and decay more slowly with higher L shell, on the order of ∼1.7 days at L shells of 5–6. Conversely, O-ions decay very rapidly (∼1.5 h) across all L shells. The He-ion decay time are consistent with previously measured and calculated lifetimes associated with charge exchange. The O-ion decay time is much faster than predicted and is attributed to the inclusion of higher-energy (> 500 keV) O-ions in our decay rate estimation. We note that these measurements demonstrate a compelling need for calculation of high-energy O-ion loss rates, which have not been adequately studied in the literature to date. Key Points We report initial observations of ring current ions We show that He-ion decay rates are consistent with theory We show that O-ions with energies greater than 500 keV decay very rapidly PMID:26167435

Area Coverage of Expanding E.T. Signals in the Galaxy: SETI and Drake’s N

NASA Astrophysics Data System (ADS)

Grimaldi, Claudio; Marcy, Geoffrey W.; Tellis, Nathaniel K.; Drake, Frank

2018-05-01

The Milky Way Galaxy contains an unknown number, N, of civilizations that emit electromagnetic radiation (of unknown wavelengths) over a finite lifetime, L. Here we are assuming that the radiation is not produced indefinitely, but within L as a result of some unknown limiting event. When a civilization stops emitting, the radiation continues traveling outward at the speed of light, c, but is confined within a shell wall having constant thickness, cL. We develop a simple model of the Galaxy that includes both the birthrate and detectable lifetime of civilizations to compute the possibility of a SETI detection at the Earth. Two cases emerge for radiation shells that are (1) thinner than or (2) thicker than the size of the Galaxy, corresponding to detectable lifetimes, L, less than or greater than the light-travel time, ∼100,000 years, across the Milky Way, respectively. For case (1), each shell wall has a thickness smaller than the size of the Galaxy and intersects the Galactic plane in a donut shape (annulus) that fills only a fraction of the Galaxy’s volume, inhibiting SETI detection. But the ensemble of such shell walls may still fill our Galaxy, and indeed may overlap locally, given a sufficiently high birthrate of detectable civilizations. In the second case, each radiation shell is thicker than the size of our Galaxy. Yet, the ensemble of walls may or may not yield a SETI detection depending on the civilization birthrate. We compare the number of different electromagnetic transmissions arriving at Earth to Drake’s N, the number of currently emitting civilizations, showing that they are equal to each other for both cases (1) and (2). However, for L < 100,000 years, the transmissions arriving at Earth may come from distant civilizations long extinct, while civilizations still alive are sending signals yet to arrive.

Impacts of biochar and oyster shells waste on the immobilization of arsenic in highly contaminated soils.

PubMed

Chen, Yongshan; Xu, Jinghua; Lv, Zhengyong; Xie, Ruijia; Huang, Liumei; Jiang, Jinping

2018-07-01

Soil contamination is a serious problem with deleterious impacts on global sustainability. Readily available, economic, and highly effective technologies are therefore urgently needed for the rehabilitation of contaminated sites. In this study, two readily available materials prepared from bio-wastes, namely biochar and oyster shell waste, were evaluated as soil amendments to immobilize arsenic in a highly As-contaminated soil (up to 15,000 mgAs/kg). Both biochar and oyster shell waste can effectively reduce arsenic leachability in acid soils. After application of the amendments (2-4% addition, w/w), the exchangeable arsenic fraction decreased from 105.8 to 54.0 mg/kg. The application of 2%biochar +2% oyster shell waste most effectively reduced As levels in the column leaching test by reducing the arsenic concentration in the porewater by 62.3% compared with the treatment without amendments. Biochar and oyster shell waste also reduced soluble As(III) from 374.9 ± 18.8 μg/L to 185.9 ± 16.8 μg/L and As(V) from 119.8 ± 13.0 μg/L to 56.4 ± 2.6 μg/L at a pH value of 4-5. The treatment using 4% (w/w) amendments did not result in sufficient As immobilization in highly contaminated soils; high soluble arsenic concentrations (upto193.0 μg/L)were found in the soil leachate, particularly in the form of As(III), indicating a significant potential to pollute shallow groundwater aquifers. This study provides valuable insights into the use of cost-effective and readily available materials for soil remediation and investigates the mechanisms underlying arsenic immobilization in acidic soils. Copyright © 2018 Elsevier Ltd. All rights reserved.

Hatchability and survival of oncomiracidia of Paradiplozoon ichthyoxanthon (Monogenea: Diplozoidae) exposed to aqueous aluminium.

PubMed

Gilbert, Beric M; Avenant-Oldewage, Annemariè

2016-07-28

Monogenea is a diverse group of ectoparasites showing great potential as sentinel organisms for monitoring environmental health. Exposure to metals negatively affects infrapopulations of monogeneans and exposure to aluminium has been found to negatively impact the survival of gyrodactylids. Samples of infected host fish, the smallmouth yellowfish Labeobarbus aeneus (Cyprinidae), were collected from the Vaal Dam, South Africa and transported back to the laboratory in dark 160 l containers. Eggs of the monogenean Paradiplozoon ichthyoxanthon infecting L. aeneus were collected and exposed to varying concentrations of aluminium along with a control group in static tanks. The eggs were checked every 24 h and hatching commenced 13-14 days after exposure. Water samples were taken from exposure tanks and acidified for analysis of Al levels with inductively-coupled plasma mass spectrometry. Hatching of eggs was variable between exposures, and in 30 μg Al/l and 60 μg Al/l was found to occur before eggs in control beakers, whereas, exposure to 120 μg Al/l delayed hatching and reduced hatchability. Survival of hatched oncomiracidia was concentration dependent and negatively correlated with aluminium concentrations. Lowest survival was recorded for 60 μg Al/l and 120 μg Al/l where all larvae died shortly after or during hatching. Normal development of embryos of P. ichthyoxanthon within eggs exposed to all doses of aluminium indicates that the egg shell is moderately impermeable to metals and inhibits movement of aluminium across the shell and interacting with developing embryos. Higher larval mortality rate in 120 μg/l exposure can be related to aluminium crossing the egg shell in the late stages and causing death of unhatched yet fully developed embryos, possibly due to changes in the permeability of the egg shell as embryos neared developmental completion. Accelerated death of oncomiracidia after hatching indicates sensitivity toward high concentrations of aluminium.

Charge compensation mechanisms in favor of the incorporation of the Eu3+ ion into the ZnO host lattice

NASA Astrophysics Data System (ADS)

Baira, M.; Bekhti-Siad, A.; Hebali, K.; Bouhani-Benziane, H.; Sahnoun, M.

2018-05-01

Eu3+ doped phosphors with charge compensation are potential candidates of red emitting phosphors for lamp applications. Charge compensation improves the luminescence performance of the material. The charge compensation can most probably be achieved by three possible mechanisms: (a) two Zn2+ ions are replaced by one Eu3+ ions and one monovalent cation, 2Zn2+ →Eu3++ Li+, where Li+ is acting as a charge compensator; (b) the charge compensation is provided by a zinc vacancy (VZn) defects, 3Zn2+ → 2Eu3++ VZn, the subscript Zn denotes an ion in a normal zinc site in the lattice; (c) two Zn2+ ions are replaced by one Eu3+ ions with the presence of interstitial oxygen (Oi), 2Zn2+ → 2Eu3++ Oi. Electronic structures of the crystals corresponding to the three models are evaluated by the first-principles quantum mechanical calculations based on the density functional theory. It is found that the charge compensator defects make Eu3+ doping in ZnO energetically more favorable. They break the local symmetry around the Eu3+ ion and lead to deep states below the empty upper band, the conduction band that could facilitate intra-4f shell transitions, which can obviously improve the emission intensity of Eu3+-doped ZnO. Therefore, the effect of these defects on the host crystals electronic band states relative to the Eu3+ states is reported, since both electron transfer and electronically energy transfer processes enhance the performance of optoelectronic devices based on this material. These theoretical insights are helpful for designing rare-earth doped oxide materials with high photoluminescence (PL) performance.

Numerical and experimental study on buckling and postbuckling behavior of cracked cylindrical shells

NASA Astrophysics Data System (ADS)

Saemi, J.; Sedighi, M.; Shariati, M.

2015-09-01

The effect of crack on load-bearing capacity and buckling behavior of cylindrical shells is an essential consideration in their design. In this paper, experimental and numerical buckling analysis of steel cylindrical shells of various lengths and diameters with cracks have been studied using the finite element method, and the effect of crack position, crack orientation and the crack length-to-cylindrical shell perimeter ( λ = a/(2 πr)) and shell length-to-diameter ( L/ D) ratios on the buckling and post-buckling behavior of cylindrical shells has been investigated. For several specimens, buckling test was performed using an INSTRON 8802 servo hydraulic machine, and the results of experimental tests were compared to numerical results. A very good correlation was observed between numerical simulation and experimental results. Finally, based on the experimental and numerical results, sensitivity of the buckling load to the shell length, crack length and orientation has also been investigated.

Oxygen vacancy chain and conductive filament formation in hafnia

NASA Astrophysics Data System (ADS)

Xue, Kan-Hao; Miao, Xiang-Shui

2018-04-01

The stability and aggregation mechanisms of oxygen vacancy chains are studied for hafnia using self-energy corrected density functional theory. While oxygen vacancies tend not to align along the c-axis of monoclinic HfO2, oxygen vacancy chains along a-axis and b-axis are energetically favorable, with cohesive energies of 0.05 eV and 0.03 eV per vacancy, respectively. Nevertheless, with an increase of the cross section area, intensive oxygen vacancy chains become much more stable in hafnia, which yields phase separation into Hf-clusters and HfO2. Compared with disperse single vacancy chains, intensive oxygen vacancy chains made of 4, 6, and 8 single vacancy chains are energetically more favorable by 0.17, 0.20, and 0.30 eV per oxygen vacancy, respectively. On the other hand, while a single oxygen vacancy chain exhibits a tiny electronic energy gap of around 0.5 eV, metallic conduction emerges for the intensive vacancy chain made of 8 single vacancy chains, which possesses a filament cross section area of ˜0.4 nm2. This sets a lower area limit for Hf-cluster filaments from metallic conduction point of view, but in real hafnia resistive RAM devices the cross section area of the filaments can generally be much larger (>5 nm2) for the sake of energy minimization. Our work sets up a bridge between oxygen vacancy ordering and phase separation in hafnia, and shows a clear trend of filament stabilization with larger dimensions. The results could explain the threshold switching phenomenon in hafnia when a small AFM tip was used as the top electrode, as well as the undesired multimode operation in resistive RAM cells with 3 nm-thick hafnia.

Vacancy defect and defect cluster energetics in ion-implanted ZnO

NASA Astrophysics Data System (ADS)

Dong, Yufeng; Tuomisto, F.; Svensson, B. G.; Kuznetsov, A. Yu.; Brillson, Leonard J.

2010-02-01

We have used depth-resolved cathodoluminescence, positron annihilation, and surface photovoltage spectroscopies to determine the energy levels of Zn vacancies and vacancy clusters in bulk ZnO crystals. Doppler broadening-measured transformation of Zn vacancies to vacancy clusters with annealing shifts defect energies significantly lower in the ZnO band gap. Zn and corresponding O vacancy-related depth distributions provide a consistent explanation of depth-dependent resistivity and carrier-concentration changes induced by ion implantation.

Thermodynamics of impurity-enhanced vacancy formation in metals

NASA Astrophysics Data System (ADS)

Bukonte, Laura; Ahlgren, Tommy; Heinola, Kalle

2017-01-01

Hydrogen induced vacancy formation in metals and metal alloys has been of great interest during the past couple of decades. The main reason for this phenomenon, often referred to as the superabundant vacancy formation, is the lowering of vacancy formation energy due to the trapping of hydrogen. By means of thermodynamics, we study the equilibrium vacancy formation in fcc metals (Pd, Ni, Co, and Fe) in correlation with the H amounts. The results of this study are compared and found to be in good agreement with experiments. For the accurate description of the total energy of the metal-hydrogen system, we take into account the binding energies of each trapped impurity, the vibrational entropy of defects, and the thermodynamics of divacancy formation. We demonstrate the effect of vacancy formation energy, the hydrogen binding, and the divacancy binding energy on the total equilibrium vacancy concentration. We show that the divacancy fraction gives the major contribution to the total vacancy fraction at high H fractions and cannot be neglected when studying superabundant vacancies. Our results lead to a novel conclusion that at high hydrogen fractions, superabundant vacancy formation takes place regardless of the binding energy between vacancies and hydrogen. We also propose the reason of superabundant vacancy formation mainly in the fcc phase. The equations obtained within this work can be used for any metal-impurity system, if the impurity occupies an interstitial site in the lattice.

The Characteristic Pitch Angle Distributions of 1 eV to 600 keV Protons Near the Equator Based On Van Allen Probes Observations

DOE PAGES

Yue, Chao; Bortnik, Jacob; Thorne, Richard M.; ...

2017-08-31

Understanding the source and loss processes of various plasma populations is greatly aided by having accurate knowledge of their pitch angle distributions (PADs). Here we statistically analyze ~1 eV to 600 keV hydrogen (H+) PADs near the geomagnetic equator in the inner magnetosphere based on Van Allen Probes measurements, to comprehensively investigate how the H+ PADs vary with different energies, magnetic local times (MLTs), L shells, and geomagnetic conditions. Our survey clearly indicates four distinct populations with different PADs: a pancake distribution of the plasmaspheric H+ at low L shells except for dawn sector; a bidirectional field-aligned distribution of themore » warm plasma cloak; pancake or isotropic distributions of ring current H+; radiation belt particles show pancake, butterfly, and isotropic distributions depending on their energy, MLT, and L shell. Meanwhile, the pancake distribution of ring current H+ moves to lower energies as shell increases, which is primarily caused by adiabatic transport. Furthermore, energetic H+ (>10 keV) PADs become more isotropic following the substorm injections, indicating wave-particle interactions. The radiation belt H+ butterfly distributions are identified in a narrow energy range of 100 < E < 400 keV at large L ( L > 5), which are less significant during quiet times and extend from dusk to dawn sector through midnight during substorms. In conclusion, the different PADs near the equator provide clues of the underlying physical processes that produce the dynamics of these different populations.« less

The Characteristic Pitch Angle Distributions of 1 eV to 600 keV Protons Near the Equator Based On Van Allen Probes Observations

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

Yue, Chao; Bortnik, Jacob; Thorne, Richard M.

Understanding the source and loss processes of various plasma populations is greatly aided by having accurate knowledge of their pitch angle distributions (PADs). Here we statistically analyze ~1 eV to 600 keV hydrogen (H+) PADs near the geomagnetic equator in the inner magnetosphere based on Van Allen Probes measurements, to comprehensively investigate how the H+ PADs vary with different energies, magnetic local times (MLTs), L shells, and geomagnetic conditions. Our survey clearly indicates four distinct populations with different PADs: a pancake distribution of the plasmaspheric H+ at low L shells except for dawn sector; a bidirectional field-aligned distribution of themore » warm plasma cloak; pancake or isotropic distributions of ring current H+; radiation belt particles show pancake, butterfly, and isotropic distributions depending on their energy, MLT, and L shell. Meanwhile, the pancake distribution of ring current H+ moves to lower energies as shell increases, which is primarily caused by adiabatic transport. Furthermore, energetic H+ (>10 keV) PADs become more isotropic following the substorm injections, indicating wave-particle interactions. The radiation belt H+ butterfly distributions are identified in a narrow energy range of 100 < E < 400 keV at large L ( L > 5), which are less significant during quiet times and extend from dusk to dawn sector through midnight during substorms. In conclusion, the different PADs near the equator provide clues of the underlying physical processes that produce the dynamics of these different populations.« less

On the interactions between energetic electrons and lightning whistler waves observed at high L-shells on Van Allen Probes

NASA Astrophysics Data System (ADS)

Zheng, H.; Holzworth, R. H., II; Brundell, J. B.; Hospodarsky, G. B.; Jacobson, A. R.; Fennell, J. F.; Li, J.

2017-12-01

Lightning produces strong broadband radio waves, called "sferics", which propagate in the Earth-ionosphere waveguide and are detected thousands of kilometers away from their source. Global real-time detection of lightning strokes including their time, location and energy, is conducted with the World Wide Lightning Location Network (WWLLN). In the ionosphere, these sferics couple into very low frequency (VLF) whistler waves which propagate obliquely to the Earth's magnetic field. A good match has previously been shown between WWLLN sferics and Van Allen Probes lightning whistler waves. It is well known that lightning whistler waves can modify the distribution of energetic electrons in the Van Allen belts by pitch angle scattering into the loss cone, especially at low L-Shells (referred to as LEP - Lightning-induced Electron Precipitation). It is an open question whether lightning whistler waves play an important role at high L-shells. The possible interactions between energetic electrons and lightning whistler waves at high L-shells are considered to be weak in the past. However, lightning is copious, and weak pitch angle scattering into the drift or bounce loss cone would have a significant influence on the radiation belt populations. In this work, we will analyze the continuous burst mode EMFISIS data from September 2012 to 2016, to find out lightning whistler waves above L = 3. Based on that, MAGEIS data are used to study the related possible wave-particle interactions. In this talk, both case study and statistical analysis results will be presented.

Shell damage and shell repair in the Antarctic limpet Nacella concinna from King George Island

NASA Astrophysics Data System (ADS)

Cadée, Gerhard C.

1999-03-01

Nacella concinna is the most conspicuous macroinvertebrate in the intertidal of King George Island. An important predator, the Kelp gull Larus dominicanus, feeds on Nacella during spring low tides. The gulls deposit empty Nacella shells as regurgitates mainly on roosts on coastal rocks. The regurgitates were found to consist of 40% shell fragments by weight and 60% intact shells. Faeces of Kelp gulls contained much smaller fragments than the regurgitates. Some of the Nacella, particularly those too large to ingest, are handled in the intertidal. The middens are, therefore, inadequate to study size selection by Kelp gulls: the largest Nacella are underrepresented. Seventy-five per cent of the intact Nacella shells from the Larus middens showed one or more shell repairs. Such repairs may be due to unsuccessful attacks by gulls, but more probably they indicate damage caused by rolling ice blocks and stones in the intertidal and shallow subtidal. A number of living Nacella were found stranded on the beach, detached from the rocks. They showed damage along the shell margin and even one Nacella was collected without any shell left. The observed repair frequency of 75% in Nacella was much higher than in other (smaller) intertidal gastropods at Potter Peninsula (3-11%, av. 8%). Comparably high frequencies are observed for instance in tropical intertidal gastropods, where repair is due to heavy unsuccessful crab predation; however, shell-crushing crabs are absent on King George Island. This indicates that palaeontologists should be cautious in ascribing all shell repairs in fossil shells (particularly from tidal environments) to predators. Shell repair in the related Nacella deaurata, collected in a less exposed site at Port Stanley (Falkland Islands), occurred only in 13% of the specimens. Another conspicuous form of shell damage was due to grazing by Nacella on the boring algae living in other Nacella shells. Epigrowth of crustose calcareous algae inhibited such grazing, but in the absence of epigrowth deep hollows were scraped in the shells, the parallel scratches by the radula clearly visible, urging Nacella to repair its shell by producing more shelly material on the inside.

Nonstoichiometry of Epitaxial FeTiO(3+delta) Films

DTIC Science & Technology

2003-01-01

nonstoichiometry of the FeTiO3 +8 films was probably produced by cation vacancies and disarrangement of Fe3+ and Ti4 ions, which randomly occupied both interstitial...and substitutional sites of the FeTiO 3 related structure. INTRODUCTION Solid solutions of ot-Fe20 3- FeTiO3 (hematite-ilmenite) series are known to...tried to confirm preparation conditions of stoichiometric FeTiO 3 films. According to a literature on bulk crystal growth of FeTiO3 [5], very low oxygen

Recent Livermore Excitation and Dielectronic Recombination Measurements for Laboratory and Astrophysical Spectral Modeling

NASA Technical Reports Server (NTRS)

Beiersdorfer, P.; Brown, G. V.; Gu, M.-F.; Harris, C. L.; Kahn, S. M.; Kim, S.-H.; Neill, P. A.; Savin, D. W.; Smith, A. J.; Utter, S. B.

2000-01-01

Using the EBIT facility in Livermore we produce definitive atomic data for input into spectral synthesis codes. Recent measurements of line excitation and dielectronic recombination of highly charged K-shell and L-shell ions are presented to illustrate this point.

Molecular dynamics simulations of oxygen vacancy diffusion in SrTiO3.

PubMed

Schie, Marcel; Marchewka, Astrid; Müller, Thomas; De Souza, Roger A; Waser, Rainer

2012-12-05

A classical force-field model with partial ionic charges was applied to study the behaviour of oxygen vacancies in the perovskite oxide strontium titanate (SrTiO(3)). The dynamical behaviour of these point defects was investigated as a function of temperature and defect concentration by means of molecular dynamics (MD) simulations. The interaction between oxygen vacancies and an extended defect, here a Σ3(111) grain boundary, was also examined by means of MD simulations. Analysis of the vacancy distribution revealed considerable accumulation of vacancies in the envelope of the grain boundary. The possible clustering of oxygen vacancies in bulk SrTiO(3) was studied by means of static lattice calculations within the Mott-Littleton approach. All binary vacancy-vacancy configurations were found to be energetically unfavourable.

Axisymmetric shell analysis of the Space Shuttle solid rocket booster field joint

NASA Technical Reports Server (NTRS)

Nemeth, Michael P.; Anderson, Melvin S.

1989-01-01

The Space Shuttle Challenger (STS 51-L) accident led to an intense investigation of the structural behavior of the solid rocket booster (SRB) tang and clevis field joints. The presence of structural deformations between the clevis inner leg and the tang, substantial enough to prevent the O-ring seals from eliminating hot gas flow through the joints, has emerged as a likely cause of the vehicle failure. This paper presents results of axisymmetric shell analyses that parametrically assess the structural behavior of SRB field joints subjected to quasi-steady-state internal pressure loading for both the original joint flown on mission STS 51-L and the redesigned joint recently flown on the Space Shuttle Discovery. Discussion of axisymmetric shell modeling issues and details is presented and a generic method for simulating contact between adjacent shells of revolution is described. Results are presented that identify the performance trends of the joints for a wide range of joint parameters.

Outer organic layer and internal repair mechanism protects pteropod Limacina helicina from ocean acidification

NASA Astrophysics Data System (ADS)

Peck, Victoria L.; Tarling, Geraint A.; Manno, Clara; Harper, Elizabeth M.; Tynan, Eithne

2016-05-01

Scarred shells of polar pteropod Limacina helicina collected from the Greenland Sea in June 2012 reveal a history of damage, most likely failed predation, in earlier life stages. Evidence of shell fracture and subsequent re-growth is commonly observed in specimens recovered from the sub-Arctic and further afield. However, at one site within sea-ice on the Greenland shelf, shells that had been subject to mechanical damage were also found to exhibit considerable dissolution. It was evident that shell dissolution was localised to areas where the organic, periostracal sheet that covers the outer shell had been damaged at some earlier stage during the animal's life. Where the periostracum remained intact, the shell appeared pristine with no sign of dissolution. Specimens which appeared to be pristine following collection were incubated for four days. Scarring of shells that received periostracal damage during collection only became evident in specimens that were incubated in waters undersaturated with respect to aragonite, ΩAr≤1. While the waters from which the damaged specimens were collected at the Greenland Sea sea-ice margin were not ΩAr≤1, the water column did exhibit the lowest ΩAr values observed in the Greenland and Barents Seas, and was likely to have approached ΩAr≤1 during the winter months. We demonstrate that L. helicina shells are only susceptible to dissolution where both the periostracum has been breached and the aragonite beneath the breach is exposed to waters of ΩAr≤1. Exposure of multiple layers of aragonite in areas of deep dissolution indicate that, as with many molluscs, L. helicina is able to patch up dissolution damage to the shell by secreting additional aragonite internally and maintain their shell. We conclude that, unless breached, the periostracum provides an effective shield for pteropod shells against dissolution in waters ΩAr≤1, and when dissolution does occur the animal has an effective means of self-repair. We suggest that future studies of pteropod shell condition are undertaken on specimens from which the periostracum has not been removed in preparation.

Prevalence and concentration of Salmonella on raw shelled peanuts in the United States.

PubMed

Calhoun, Stephen; Post, Laurie; Warren, Benjamin; Thompson, Sterling; Bontempo, Ann Rogers

2013-04-01

Recalls and/or outbreaks associated with Salmonella contamination in peanut-containing products were reported over the past several years. There are very limited data available on the prevalence and concentration of Salmonella on raw shelled peanuts in the United States. The objectives of this study were to estimate the prevalence of Salmonella on raw shelled peanuts in the United States and to estimate that concentration of Salmonella. Samples of Runner- and Virginia-type raw shelled peanuts from the 2008, 2009, and 2010 crop years were proportionately sampled from each growing region, based on 2007 production volume. Of 944 raw shelled peanut samples (375 g each), 22 (2.33%) were positive for Salmonella by the VIDAS Salmonella assay. Salmonella serovars identified in this study included Agona, Anatum, Braenderup, Dessau, Hartford, Meleagridis, Muenchen, Rodepoort, Tennessee, and Tornow. The concentration levels of Salmonella in positive samples, as determined by a most-probable-number assay, were <0.03 to 2.4 MPN/g. These data will be useful when designing and validating processes for the reduction or elimination of Salmonella in peanuts and/or peanut-containing products.

Sonoluminescence in an Acoustically Levitated Water Filled Shell

NASA Astrophysics Data System (ADS)

Rivera, P. J.; Stephens, R. B.; Jones, J. P.

1998-11-01

The possibility of using shells levitated by acoustic waves to improve the conditions to study sonoluminescence was conducted. Single bubble sonoluminescence (SBSL) was generated using a 2 mm diameter water filled plastic shell, supported in air with 1 MHz sound waves. The bubble was generated and compressed with a separate transducer emitting pulsed 5 MHz acoustic waves which were focussed on the center of the suspended shell. This approach is considerably different from the typical generation technique of SBSL in that the acoustic power is coupled through the air rather than by a solid bond to the container. With this configuration, the water container can be substantially reduced in size and the luminescence pulse rate is probably not connected with cavity resonances. As a result, optical access to the spark is improved, water attenuation is reduced (water thickness ~1 mm), and repetition rate can be considerably higher. This geometry presents problems and opportunities in controlling the gas content and temperature of the water. It might also be sensitive to the perfection of the enclosing plastic shell, so success is erratic. Details will be discussed.

Mechanochemical formation of heterogeneous diamond structures during rapid uniaxial compression in graphite

NASA Astrophysics Data System (ADS)

Kroonblawd, Matthew P.; Goldman, Nir

2018-05-01

We predict mechanochemical formation of heterogeneous diamond structures from rapid uniaxial compression in graphite using quantum molecular dynamics simulations. Ensembles of simulations reveal the formation of different diamondlike products starting from thermal graphite crystal configurations. We identify distinct classes of final products with characteristic probabilities of formation, stress states, and electrical properties and show through simulations of rapid quenching that these products are nominally stable and can be recovered at room temperature and pressure. Some of the diamond products exhibit significant disorder and partial closure of the energy gap between the highest-occupied and lowest-unoccupied molecular orbitals (i.e., the HOMO-LUMO gap). Seeding atomic vacancies in graphite significantly biases toward forming products with small HOMO-LUMO gap. We show that a strong correlation between the HOMO-LUMO gap and disorder in tetrahedral bonding configurations informs which kinds of structural defects are associated with gap closure. The rapid diffusionless transformation of graphite is found to lock vacancy defects into the final diamond structure, resulting in configurations that prevent s p3 bonding and lead to localized HOMO and LUMO states with a small gap.

Defect-induced magnetism in two-dimensional NbSe2

NASA Astrophysics Data System (ADS)

Manchanda, P.; Skomski, R.

2017-01-01

The energetics and magnetism of perfect and vacancy-containing two-dimensional NbSe2 monolayers is investigated by first-principle calculations. It has been found the single Se vacancy has the lowest formation energy. Perfect NbSe2 monolayers, as well as monolayers containing single-selenium and double-selenium vacancies, are nonmagnetic metallic. However, Nb vacancies create a magnetic moment of 1.5 μB per vacancy. The moment is highly localized, confined nearly exclusively on the Se atoms adjacent to the vacancy, and mainly originates from the Se 4p electrons. The moment distribution indicates strongly anisotropic exchange bonds between vacancy moments.

Origin of Nanobubbles Electrochemically Formed in a Magnetic Field: Ionic Vacancy Production in Electrode Reaction

NASA Astrophysics Data System (ADS)

Aogaki, Ryoichi; Sugiyama, Atsushi; Miura, Makoto; Oshikiri, Yoshinobu; Miura, Miki; Morimoto, Ryoichi; Takagi, Satoshi; Mogi, Iwao; Yamauchi, Yusuke

2016-07-01

As a process complementing conventional electrode reactions, ionic vacancy production in electrode reaction was theoretically examined; whether reaction is anodic or cathodic, based on the momentum conservation by Newton’s second law of motion, electron transfer necessarily leads to the emission of original embryo vacancies, and dielectric polarization endows to them the same electric charge as trans- ferred in the reaction. Then, the emitted embryo vacancies immediately receive the thermal relaxation of solution particles to develop steady-state vacancies. After the vacancy production, nanobubbles are created by the collision of the vacancies in a vertical magnetic field.

Vacancy dynamic in Ni-Mn-Ga ferromagnetic shape memory alloys

NASA Astrophysics Data System (ADS)

Merida, D.; García, J. A.; Sánchez-Alarcos, V.; Pérez-Landazábal, J. I.; Recarte, V.; Plazaola, F.

2014-06-01

Vacancies control any atomic ordering process and consequently most of the order-dependent properties of the martensitic transformation in ferromagnetic shape memory alloys. Positron annihilation spectroscopy demonstrates to be a powerful technique to study vacancies in NiMnGa alloys quenched from different temperatures and subjected to post-quench isothermal annealing treatments. Considering an effective vacancy type the temperature dependence of the vacancy concentration has been evaluated. Samples quenched from 1173 K show a vacancy concentration of 1100 ± 200 ppm. The vacancy migration and formation energies have been estimated to be 0.55 ± 0.05 eV and 0.90 ± 0.07 eV, respectively.

Ferromagnetism in ferroelectric BaTiO3 induced by vacancies: Sensitive dependence on charge state, origin of magnetism, and temperature range of existence

NASA Astrophysics Data System (ADS)

Raeliarijaona, Aldo; Fu, Huaxiang

2017-10-01

Using density-functional calculations we investigate the possibility and underlying mechanism of generating ferromagnetism (FM) in ferroelectric BaTiO3 by native vacancies. For the same vacancy species but different charge states (e.g., VO0 vs VO2 +), our paper reveals a marked difference in magnetic behaviors. For instance, while VO0 is ferromagnetic, VO2 + is not. This sensitive dependence, which has often been overlooked, highlights the critical importance of taking into account different charge states. Furthermore, while oxygen vacancies have been often used in experiments to explain the vacancy-induced FM, our calculation demonstrates that Ti vacancies, in particular VTi3 - and VTi2 - with low formation energies, generate even stronger ferromagnetism in BaTiO3, with a magnetic moment which is 400% larger than that of VO0. Interestingly, this strong FM of VTi can be further enhanced by hole doping. Although both cation vacancies (VTiq) and anion vacancies (VO0) induce FM, their mechanisms differ drastically. FM of anion vacancies originates from the spin-polarized electrons at Ti sites, but FM of cation vacancies stems from the spin-polarized holes at O sites. This paper also sheds light on vacancy-induced FM by discovering that the spin densities of all three considered vacancy species are highly extended in real space, distributed far away from the vacancy. Moreover, we predict that the ferromagnetism caused by VTi3 - is able to survive at high temperatures, which is promising for room-temperature spintronic or multiferroic applications.

Dissociative diffusion mechanism in vacancy-rich materials according to mass action kinetics

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

Biderman, N. J.; Sundaramoorthy, R.; Haldar, Pradeep

We conducted two sets of diffusion-reaction numerical simulations using a finite difference method (FDM) in order to investigate fast impurity diffusion via interstitial sites in vacancy-rich materials such as Cu(In,Ga)Se 2 (CIGS) and Cu 2ZnSn(S, Se) 4 (CZTSSe or CZTS) via the dissociative diffusion mechanism where the interstitial diffuser ultimately reacts with a vacancy to produce a substitutional. The first set of simulations extends the standard interstitial-limited dissociative diffusion theory to vacancy-rich material conditions where vacancies are annihilated in large amounts, introducing non-equilibrium vacancy concentration profiles. The second simulation set explores the vacancy-limited dissociative diffusion where impurity incorporation increases themore » equilibrium vacancy concentration. In addition to diffusion profiles of varying concentrations and shapes that were obtained in all simulations, some of the profiles can be fitted with the constant- and limited-source solutions of Fick’s second law despite the non-equilibrium condition induced by the interstitial-vacancy reaction. The first set of simulations reveals that the dissociative diffusion coefficient in vacancy-rich materials is inversely proportional to the initial vacancy concentration. In the second set of numerical simulations, impurity-induced changes in the vacancy concentration lead to distinctive diffusion profile shapes. The simulation results are also compared with published data of impurity diffusion in CIGS. And according to the characteristic properties of diffusion profiles from the two set of simulations, experimental detection of the dissociative diffusion mechanism in vacancy-rich materials may be possible.« less

Dissociative diffusion mechanism in vacancy-rich materials according to mass action kinetics

DOE PAGES

Biderman, N. J.; Sundaramoorthy, R.; Haldar, Pradeep; ...

2016-05-13

We conducted two sets of diffusion-reaction numerical simulations using a finite difference method (FDM) in order to investigate fast impurity diffusion via interstitial sites in vacancy-rich materials such as Cu(In,Ga)Se 2 (CIGS) and Cu 2ZnSn(S, Se) 4 (CZTSSe or CZTS) via the dissociative diffusion mechanism where the interstitial diffuser ultimately reacts with a vacancy to produce a substitutional. The first set of simulations extends the standard interstitial-limited dissociative diffusion theory to vacancy-rich material conditions where vacancies are annihilated in large amounts, introducing non-equilibrium vacancy concentration profiles. The second simulation set explores the vacancy-limited dissociative diffusion where impurity incorporation increases themore » equilibrium vacancy concentration. In addition to diffusion profiles of varying concentrations and shapes that were obtained in all simulations, some of the profiles can be fitted with the constant- and limited-source solutions of Fick’s second law despite the non-equilibrium condition induced by the interstitial-vacancy reaction. The first set of simulations reveals that the dissociative diffusion coefficient in vacancy-rich materials is inversely proportional to the initial vacancy concentration. In the second set of numerical simulations, impurity-induced changes in the vacancy concentration lead to distinctive diffusion profile shapes. The simulation results are also compared with published data of impurity diffusion in CIGS. And according to the characteristic properties of diffusion profiles from the two set of simulations, experimental detection of the dissociative diffusion mechanism in vacancy-rich materials may be possible.« less

Localized versus itinerant states created by multiple oxygen vacancies in SrTiO3

NASA Astrophysics Data System (ADS)

Jeschke, Harald O.; Shen, Juan; Valentí, Roser

2015-02-01

Oxygen vacancies in strontium titanate surfaces (SrTiO3) have been linked to the presence of a two-dimensional electron gas with unique behavior. We perform a detailed density functional theory study of the lattice and electronic structure of SrTiO3 slabs with multiple oxygen vacancies, with a main focus on two vacancies near a titanium dioxide terminated SrTiO3 surface. We conclude based on total energies that the two vacancies preferably inhabit the first two layers, i.e. they cluster vertically, while in the direction parallel to the surface, the vacancies show a weak tendency towards equal spacing. Analysis of the nonmagnetic electronic structure indicates that oxygen defects in the surface TiO2 layer lead to population of Ti {{t}2g} states and thus itinerancy of the electrons donated by the oxygen vacancy. In contrast, electrons from subsurface oxygen vacancies populate Ti eg states and remain localized on the two Ti ions neighboring the vacancy. We find that both the formation of a bound oxygen-vacancy state composed of hybridized Ti 3eg and 4p states neighboring the oxygen vacancy as well as the elastic deformation after extracting oxygen contribute to the stabilization of the in-gap state.

LANL* V1.0: a radiation belt drift shell model suitable for real-time and reanalysis applications

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

Koller, Josep; Reeves, Geoffrey D; Friedel, Reiner H W

2008-01-01

Space weather modeling, forecasts, and predictions, especially for the radiation belts in the inner magnetosphere, require detailed information about the Earth's magnetic field. Results depend on the magnetic field model and the L* (pron. L-star) values which are used to describe particle drift shells. Space wather models require integrating particle motions along trajectories that encircle the Earth. Numerical integration typically takes on the order of 10{sup 5} calls to a magnetic field model which makes the L* calculations very slow, in particular when using a dynamic and more accurate magnetic field model. Researchers currently tend to pick simplistic models overmore » more accurate ones but also risking large inaccuracies and even wrong conclusions. For example, magnetic field models affect the calculation of electron phase space density by applying adiabatic invariants including the drift shell value L*. We present here a new method using a surrogate model based on a neural network technique to replace the time consuming L* calculations made with modern magnetic field models. The advantage of surrogate models (or meta-models) is that they can compute the same output in a fraction of the time while adding only a marginal error. Our drift shell model LANL* (Los Alamos National Lab L-star) is based on L* calculation using the TSK03 model. The surrogate model has currently been tested and validated only for geosynchronous regions but the method is generally applicable to any satellite orbit. Computations with the new model are several million times faster compared to the standard integration method while adding less than 1% error. Currently, real-time applications for forecasting and even nowcasting inner magnetospheric space weather is limited partly due to the long computing time of accurate L* values. Without them, real-time applications are limited in accuracy. Reanalysis application of past conditions in the inner magnetosphere are used to understand physical processes and their effect. Without sufficiently accurate L* values, the interpretation of reanalysis results becomes difficult and uncertain. However, with a method that can calculate accurate L* values orders of magnitude faster, analyzing whole solar cycles worth of data suddenly becomes feasible.« less

Strong Meissner screening change in superconducting radio frequency cavities due to mild baking

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

Romanenko, A., E-mail: aroman@fnal.gov; Grassellino, A.; Barkov, F.

We investigate “hot” regions with anomalous high field dissipation in bulk niobium superconducting radio frequency cavities for particle accelerators by using low energy muon spin rotation (LE-μSR) on corresponding cavity cutouts. We demonstrate that superconducting properties at the hot region are well described by the non-local Pippard/BCS model for niobium in the clean limit with a London penetration depth λ{sub L}=23±2 nm. In contrast, a cutout sample from the 120 ∘C baked cavity shows a much larger λ>100 nm and a depth dependent mean free path, likely due to gradient in vacancy concentration. We suggest that these vacancies can efficiently trap hydrogen andmore » hence prevent the formation of hydrides responsible for rf losses in hot regions.« less

Characterization of Coconut Shell Liquid Volatile Matter (CS-LVM) by Using Gas Chomatroghaphy

NASA Astrophysics Data System (ADS)

Jahiding, Muhammad; Mashuni; Ilmawati, WOS; Ermawati; Rahmat; Arsyad, Jumiati; Riskayanti, S. S.

2017-05-01

Generally, the coconut shell is only used for the fuel of furnace or is just burnt in which this will just create pollution. One way of solving this problem is by re-processing the coconut shell as raw materials for making liquid volatile matter (LVM) by pyrolysis method. Coconut shell is part of the coconut fruit at which having biological function to protect fruit core and is located on the inner side of the fiber with a thickness ranging from 3-6 mm. Coconut shell is classified as hardwood, mainly composed of lignin, cellulose, and hemicellulose, with water content of approximately 6-9 %. Coconut shell is more suitable for pyrolysis process, since they contain less amount of ash, more amount of volatile matter and available with lower cost in rural areas during all the sessions of the year. This research was aimed at determining the influence of pyrolysis temperature towards the LVM volume of coconut shell. LVM was made of condensing the smoke of pyrolysis result from the coconut shell while the analysis of compound composition of LVMcoconut shell used Gas Chromatography. Based on the result of the research, it was known that the pyrolysis, at the temperatures of 400°C, 500°C, 600°C and 700°C can create LVM volume as many as 204.167 mL kg-1, 208,33 mL kg-1 and 216.67 mL kg-1. The LVM created from the pyrolysis at 400°C was made of ammonia (12. 41%), acetic acid (37.27%), phenol (31.66%), furfural (4.16%), and alcohol (5.01%). The LVM created from the pyrolysis at 500°C was made ofammonia (12.22%), hydrazine (5.61%), acetic acid (40.96%), phenol (32.82%), and alcohol (3.10%), furfural (5.30%). The LVM created from the pyrolysis at 600°C was made of ammonia (15.49%)), acetic acid (36,01%), phenol (32.85%)), alcohol (6.75%)), and furfural (4.62%). The LVM created from the pyrolysis at 700°C was made of ammonia (15,.), acetic acid (35.20%), phenol (22.60%), alcohol (5.07%), and furfural (4,90%). From this result, it can be seen that LVM has big advantages for food flavor and other specific flavor as well as for preservative because of its antimicrobe and anti-oxidant characteristics.

Effects of Vacancy Concentration and Temperature on Mechanical Properties of Single-Crystal γ-TiAl Based on Molecular Dynamics Simulation

NASA Astrophysics Data System (ADS)

Ruicheng, Feng; Hui, Cao; Haiyan, Li; Zhiyuan, Rui; Changfeng, Yan

2018-01-01

Molecular dynamics simulation is used to analyze tensile strength and elastic modulus under different temperatures and vacancy concentrations. The effects of temperature and vacancy concentration on the mechanical properties of γ-TiAl alloy are investigated. The results show that the ultimate stress, ultimate strain and elastic modulus decrease nonlinearly with increasing temperature and vacancy concentration. As the temperature increases, the plastic of material is reinforced. The influence of temperature on strength and elastic modulus is larger than that of vacancy concentration. The evolution process of vacancy could be observed clearly. Furthermore, vacancies with different concentrations develop into voids first as a function of external forces or other factors, micro cracks evolve from those voids, those micro cracks then converge to a macro crack, and fracture will finally occur. The vacancy evolution process cannot be observed clearly owing to the thermal motion of atoms at high temperature. In addition, potential energy is affected by both temperature and vacancy concentration.

NO-sensing performance of vacancy defective monolayer MoS2 predicted by density function theory

NASA Astrophysics Data System (ADS)

Li, Feifei; Shi, Changmin

2018-03-01

Using density functional theory (DFT), we predict the NO-sensing performance of monolayer MoS2 (MoS2-MLs) with and without MoS3-vacancy/S-vacancy defects. Our theoretical results demonstrate that MoS3- and S-vacancy defective MoS2-MLs show stronger chemisorption and greater electron transfer effects than pure MoS2-MLs. The charge transfer analysis showed pure and defective MoS2-MLs all act as donors. Both MoS3-vacancy and S-vacancy defects induce dramatic changes of electronic properties of MoS2-MLs, which have direct relationship with gas sensing performance. In addition, S-vacancy defect leads to more electrons transfer to NO molecule than MoS3-vacancy defect. The H2O molecule urges more electrons transfer from MoS3- or S-vacancy defective MoS2-MLs to NO molecule. We believe that this calculation results will provide some information for future experiment.

Vacancy clustering and its dissociation process in electroless deposited copper films studied by monoenergetic positron beams

NASA Astrophysics Data System (ADS)

Uedono, A.; Yamashita, Y.; Tsutsui, T.; Dordi, Y.; Li, S.; Oshima, N.; Suzuki, R.

2012-05-01

Positron annihilation was used to probe vacancy-type defects in electroless deposited copper films. For as-deposited films, two different types of vacancy-type defects were found to coexist; these were identified as vacancy aggregates (V3-V4) and larger vacancy clusters (˜V10). After annealing at about 200 °C, the defects started to diffuse toward the surface and aggregate. The same tendency has been observed for sulfur only, suggesting the formation of complexes between sulfur and vacancies. The defect concentration near the Cu/barrier-metal interface was high even after annealing above 600 °C, and this was attributed to an accumulation of vacancy-impurity complexes. The observed defect reactions were attributed to suppression of the vacancy diffusion to sinks through the formation of impurity-vacancy complexes. It was shown that electroless plating has a high potential to suppress the formation of voids/hillocks caused by defect migration.

Fe-vacancy ordering in superconducting K 1–xFe 2–ySe 2: First-principles calculations and Monte Carlo simulations

DOE PAGES

Fang, Yong; Tai, Yuan -Yen; Deng, Junkai; ...

2015-07-20

Fe vacancies in the 33 K superconductor K 1–xFe 2–ySe 2 show ordering schemes that may be correlated with its superconducting properties. First-principles calculations and kinetic Monte Carlo simulations lead to a very simple model for vacancy ordering. Repulsive dipolar interactions between Fe vacancies show three ground states: amore » $$\\sqrt{8}\\times \\sqrt{10}$$ rhombus-ordered structure for 12.5% vacancies, a $$\\sqrt{5}\\times \\sqrt{5}$$ squared lattice for 20% vacancies, and a $$\\sqrt{5}\\times \\sqrt{5}$$ rhombus-ordered structure for 25% vacancies. Other structural states are derived from these three ground states and may contain additional disordered spatial regions. As a result, the repulsive interaction between Fe vacancies arises from enhanced Fe–Se covalent bonds, which differs from the well-known attractive interaction of Fe vacancies in body-centered cubic Fe.« less

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

Derbin, A. V., E-mail: derbin@pnpi.spb.r; Fomenko, K. A., E-mail: fomenko@jinr.r

The Pauli exclusion principle was tested for nucleons in the {sup 12}C nucleus by using data from the Borexino detector. The approach used consisted in seeking photons, neutrons, and protons, as well as electrons and positrons, emitted in the Pauli-forbidden transitions of nucleons from the 1P{sub 3/2} shell to the filled 1S{sub 1/2} shell. Owing to a uniquely low background level in the Borexino detector and its large mass, the currently most stringent experimental limits were obtained for the probabilities and relative intensities of Pauli-forbidden transitions for the electromagnetic, strong, and weak channels.

Determination of atomic vacancies in InAs/GaSb strained-layer superlattices by atomic strain

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

Kim, Honggyu; Meng, Yifei; Kwon, Ji-Hwan

Determining vacancy in complex crystals or nanostructures represents an outstanding crystallographic problem that has a large impact on technology, especially for semiconductors, where vacancies introduce defect levels and modify the electronic structure. However, vacancy is hard to locate and its structure is difficult to probe experimentally. Reported here are atomic vacancies in the InAs/GaSb strained-layer superlattice (SLS) determined by atomic-resolution strain mapping at picometre precision. It is shown that cation and anion vacancies in the InAs/GaSb SLS give rise to local lattice relaxations, especially the nearest atoms, which can be detected using a statistical method and confirmed by simulation. Themore » ability to map vacancy defect-induced strain and identify its location represents significant progress in the study of vacancy defects in compound semiconductors.« less

Determination of atomic vacancies in InAs/GaSb strained-layer superlattices by atomic strain

DOE PAGES

Kim, Honggyu; Meng, Yifei; Kwon, Ji-Hwan; ...

2018-01-01

Determining vacancy in complex crystals or nanostructures represents an outstanding crystallographic problem that has a large impact on technology, especially for semiconductors, where vacancies introduce defect levels and modify the electronic structure. However, vacancy is hard to locate and its structure is difficult to probe experimentally. Reported here are atomic vacancies in the InAs/GaSb strained-layer superlattice (SLS) determined by atomic-resolution strain mapping at picometre precision. It is shown that cation and anion vacancies in the InAs/GaSb SLS give rise to local lattice relaxations, especially the nearest atoms, which can be detected using a statistical method and confirmed by simulation. Themore » ability to map vacancy defect-induced strain and identify its location represents significant progress in the study of vacancy defects in compound semiconductors.« less

Element ratios between digestive gland and gill tissues of the Antarctic bivalve Laternula elliptica as a proxy for element uptake from different environmental sources

NASA Astrophysics Data System (ADS)

Poigner, H.; Monien, D.; Monien, P.; Kriews, M.; Brumsack, H.-J.; Wilhelms-Dick, D.; Abele, D.

2012-04-01

Trace metals in bivalve carbonate shells are frequently used as environmental or paleoclimate proxies. Carbonate mineralogy and animals' physiology affect the incorporation of elements from different environmental sources into bivalve shells. Generally, metals from particulate matter are assimilated via the digestive tract; whereas dissolved metals are absorbed via gills. Therefore, measurements of element concentrations deposited in the shell matrix do not necessarily allow inference with respect to the assimilation pathways. In this study, we used element ratios between digestive gland (DG) and gills (cDG/cGill) of the Circum-Antarctic clam Laternula elliptica to identify predominating assimilation pathways and potential sources of bio-available metals. This normalization between tissues of each individual eliminates the effects of individual age and physiological condition (e.g. accumulation over lifetime, metabolic activity) on metal assimilation. These effects also minimize the reproducibility, when absolute element concentrations are compared between individuals from different locations. Therefore, an additional normalization is required. We favored "ellipsoid shell volume" over shell length or soft tissue weight as more conservative approximation for intra- and intersite comparisons. Metal concentrations in DG, gills, and hemolymph of the bivalve L. elliptica, collected at Potter Cove (King George Island, Antarctic Peninsula), were analyzed by means of inductively coupled plasma - optical emission spectroscopy and mass spectrometry after total acid digestion. The element ratios (cDG/cGill) indicate a predominant assimilation of Al, Ca, Fe, K, Mn, and Mg from the dissolved phase. These high Al and Fe concentrations in gill tissues and hemolymph are in contrast to the low solubility of Al and Fe in seawater. But high dissolved Fe concentrations in pore waters (up to 1400 μg L-1 due to suboxic sediment conditions) and glacial melt waters enriched in dissolved Al (of approx. 54 μg L-1 due to weathering processes) with respect to seawater concentrations (5.4-13.5 μg L-1) are likely bio-available sources at Potter Cove. In contrast, Cd, Cu, and Sr are mainly assimilated via the digestion of particulates. Since most studies on metal incorporation into bivalve shells have provided mathematical correlations to environmental data, this proxy-based approach provides a more causal relationship between sources and assimilation pathways. It improves the interpretation of element variations (if independent from shell mineralogy) in bivalve shells, especially, where a full characterization of the biogeochemical environment of the bivalves is lacking.

Generation and characterization of point defects in SrTiO3 and Y3Al5O12

NASA Astrophysics Data System (ADS)

Selim, F. A.; Winarski, D.; Varney, C. R.; Tarun, M. C.; Ji, Jianfeng; McCluskey, M. D.

Positron annihilation lifetime spectroscopy (PALS) was applied to characterize point defects in single crystals of Y3Al5O12 and SrTiO3 after populating different types of defects by relevant thermal treatments. In SrTiO3, PALS measurements identified Sr vacancy, Ti vacancy, vacancy complexes of Ti-O (vacancy) and hydrogen complex defects. In Y3Al5O12 single crystals the measurements showed the presence of Al-vacancy, (Al-O) vacancy and Al-vacancy passivated by hydrogen. These defects are shown to play the major role in defining the electronic and optical properties of these complex oxides.

Rupture threshold characterization of polymer-shelled ultrasound contrast agents subjected to static overpressure

NASA Astrophysics Data System (ADS)

Chitnis, Parag V.; Lee, Paul; Mamou, Jonathan; Allen, John S.; Böhmer, Marcel; Ketterling, Jeffrey A.

2011-04-01

Polymer-shelled micro-bubbles are employed as ultrasound contrast agents (UCAs) and vesicles for targeted drug delivery. UCA-based delivery of the therapeutic payload relies on ultrasound-induced shell rupture. The fragility of two polymer-shelled UCAs manufactured by Point Biomedical or Philips Research was investigated by characterizing their response to static overpressure. The nominal diameters of Point and Philips UCAs were 3 μm and 2 μm, respectively. The UCAs were subjected to static overpressure in a glycerol-filled test chamber with a microscope-reticule lid. UCAs were reconstituted in 0.1 mL of water and added over the glycerol surface in contact with the reticule. A video-microscope imaged UCAs as glycerol was injected (5 mL/h) to vary the pressure from 2 to 180 kPa over 1 h. Neither UCA population responded to overpressure until the rupture threshold was exceeded, which resulted in abrupt destruction. The rupture data for both UCAs indicated three subclasses that exhibited different rupture behavior, although their mean diameters were not statistically different. The rupture pressures provided a measure of UCA fragility; the Philips UCAs were more resilient than Point UCAs. Results were compared to theoretical models of spherical shells under compression. Observed variations in rupture pressures are attributed to shell imperfections. These results may provide means to optimize polymeric UCAs for drug delivery and elucidate associated mechanisms.

Antifungal Potential and Antioxidant Efficacy in the Shell Extract of Cocos nucifera (L.) (Arecaceae) against Pathogenic Dermal Mycosis

PubMed Central

Khalid Thebo, Nasreen; Ahmed Simair, Altaf; Sughra Mangrio, Ghulam; Ansari, Khalil Ahmed; Ali Bhutto, Aijaz; Lu, Changrui; Ali Sheikh, Wazir

2016-01-01

Background: Coconut is a tropical fruit well known for its essential oils that have been recognized for their biological activities since ancient times. There have been no previous investigations on the essential oils from coconut shells. Method: The shell extract of Cocos nucifera (L.) was prepared by the Soxhlet method and total phenolic content (TPC) in the extract was determined by Folin-Ciocalteu (FC) assay. The antioxidant potential of the coconut shell extract was evaluated by using the 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging assay. Minimum inhibitory concentration (MIC) of the extract was determined by the strip method against clinically isolated dermal mycosis of 20 infected patients. Result: Total antioxidant activity varied from 92.32% to 94.20% and total phenolic content was found at 5.33 ± 0.02 mg/g in the coconut shell extract. The extract was found to be most effective as an antifungal against human pathogenic fungi, including A. niger, A. flavus, T. rubrum, M. canis, M. gypseum, A. fumigates, T. mentagrophyte and T. vercossum. The crude shell extract was highly effective against all dermal mycosis tested with the MIC ranging from 62 mm to 90 mm, whereas all fungal samples showed good inhibitory effect. Conclusion: The results of the present study provide a potential cure for microbial infections. PMID:28930122

Effects of Palm Kernel Shell Ash on Lime-Stabilized Lateritic Soil

NASA Astrophysics Data System (ADS)

Nnochiri, Emeka Segun; Ogundipe, Olumide M.; Oluwatuyi, Opeyemi E.

2017-09-01

The research investigated the effects of palm kernel shell ash (PKSA) on lime-stabilized lateritic soil. Preliminary tests were performed on three soil samples, i.e., L1, L2 and L3 for identification; the results showed that L1 was A-7-6, L2 was A-7-6, and L3 was A-7-6. The optimum amount of lime for each of the soil samples was achieved. The optimum amount for L1 was 10%, for L2, 8% and for L3, 10%; at these values they recorded the lowest plasticity indexes. The further addition of PKSA was performed by varying the amount of PKSA and lime added to each of the soil samples. The addition of 4% PKSA+ 6% lime, the addition of 4% PKSA + 4% lime, and the addition of 4% PKSA + 6% lime increased the California Bearing Ratio (CBR) to the highest values for L1, L2 and L3 from 8.20%. It was concluded that PKSA can be a suitable complement for lime stabilization in lateritic soil.

Valence and L-shell photoionization of Cl-like argon using R-matrix techniques

NASA Astrophysics Data System (ADS)

Tyndall, N. B.; Ramsbottom, C. A.; Ballance, C. P.; Hibbert, A.

2016-02-01

Photoionization cross-sections are obtained using the relativistic Dirac Atomic R-matrix Codes (DARC) for all valence and L-shell energy ranges between 27 and 270 eV. A total of 557 levels arising from the dominant configurations 3s23p4, 3s3p5, 3p6, 3s23p3[3d, 4s, 4p], 3p53d, 3s23p23d2, 3s3p43d, 3s3p33d2 and 2s22p53s23p5 have been included in the target wavefunction representation of the Ar III ion, including up to 4p in the orbital basis. We also performed a smaller Breit-Pauli (BP) calculation containing the lowest 124 levels. Direct comparisons are made with previous theoretical and experimental work for both valence shell and L-shell photoionization. Excellent agreement was found for transitions involving the 2Po initial state to all allowed final states for both calculations across a range of photon energies. A number of resonant states have been identified to help analyse and explain the nature of the spectra at photon energies between 250 and 270 eV.

In vivo bioactivity of rhBMP-2 delivered with novel polyelectrolyte complexation shells assembled on an alginate microbead core template.

PubMed

Abbah, Sunny-Akogwu; Liu, Jing; Lam, Raymond W M; Goh, James C H; Wong, Hee-Kit

2012-09-10

Electrostatic interactions between polycations and polyanions are being explored to fabricate polyelectrolyte complexes (PEC) that could entrap and regulate the release of a wide range of biomolecules. Here, we report the in vivo application of PEC shells fabricated from three different polycations: poly-l-ornithine (PLO), poly-l-arginine (PLA) and DEAE-dextran (DEAE-D) to condense heparin on the surface of alginate microbeads and further control the delivery of recombinant human bone morphogenetic protein 2 (rhBMP-2) in spinal fusion application. We observed large differences in the behavior of PEC shells fabricated from the cationic polyamino acids (PLO and PLA) when compared to the cationic polysaccharide, DEAE-D. Whereas DEAE-D-based PEC shells eroded and released rhBMP-2 over 2 days in vitro, PLO- and PLA-based shells retained at least 60% of loaded rhBMP-2 after 3 weeks of incubation in phosphate-buffered saline. In vivo implantation in a rat model of posterolateral spinal fusion revealed robust bone formation in the PLO- and PLA-based PEC shell groups. This resulted in a significantly enhanced mechanical stability of the fused segments. However, bone induction and biomechanical stability of spine segments implanted with DEAE-D-based carriers were significantly inferior to both PLO- and PLA-based PEC shell groups (p<0.01). From these results, we conclude that PEC shells incorporating native heparin could be used for growth factor delivery in functional bone tissue engineering application and that PLA- and PLO-based complexes could represent superior options to DEAE-D for loading and in vivo delivery of bioactive BMP-2 in this approach. Copyright © 2012 Elsevier B.V. All rights reserved.

Microstructural growth increments in the brachiopods Liothyrella uva and L. neozelanica: preliminary study of growth analysis and proxy calibration

NASA Astrophysics Data System (ADS)

Romanin, Marco; Aleksandra Bitner, Maria; Brand, Uwe

2017-04-01

Brachiopods secrete low-Mg calcite shells in near equilibrium with the surrounding sea water, with respect to their secondary and tertiary layers. For this reason, in recent years they have been intensively studied as archives for oceanographic and environmental proxies. The primary layer has been shown not to be deposited in equilibrium with the ambient sea water, leading to a novel cleaning protocol proposed by Zaki et al (2015). In the spite of improving on existing proxies, the shell microstructure and growth has to be taken in to account in their applications. The secretion of the primary layer is known to be external of the shell, but in SEM investigations of Liothyrella uva and L. neozelanica we discovered that the primary layer has its origin within the fibres of the secondary layer. Furthermore, the primary layer calcite is not a continuum but instead it consists of a 'new' band for each major growth increment. There is overlap between the preceding and subsequent 'band' (or shingles) of the primary layer, which may extend into the secondary/tertiary layer. This finding may lead to more comprehensive knowledge of shell microstructure processes in L. uva and L. neozelanica that may be applied and extended to other modern and fossil brachiopods, including age dating of brachiopods. This discovery may make brachiopod archives more reliable and consistent proxies when applied to and interpreting their geological record.

Sample Based Unit Liter Dose Estimates

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

JENSEN, L.

The Tank Waste Characterization Program has taken many core samples, grab samples, and auger samples from the single-shell and double-shell tanks during the past 10 years. Consequently, the amount of sample data available has increased, both in terms of quantity of sample results and the number of tanks characterized. More and better data is available than when the current radiological and toxicological source terms used in the Basis for Interim Operation (BIO) (FDH 1999a) and the Final Safety Analysis Report (FSAR) (FDH 1999b) were developed. The Nuclear Safety and Licensing (NS and L) organization wants to use the new datamore » to upgrade the radiological and toxicological source terms used in the BIO and FSAR. The NS and L organization requested assistance in producing a statistically based process for developing the source terms. This report describes the statistical techniques used and the assumptions made to support the development of a new radiological source term for liquid and solid wastes stored in single-shell and double-shell tanks. The results given in this report are a revision to similar results given in an earlier version of the document (Jensen and Wilmarth 1999). The main difference between the results in this document and the earlier version is that the dose conversion factors (DCF) for converting {mu}Ci/g or {mu}Ci/L to Sv/L (sieverts per liter) have changed. There are now two DCFs, one based on ICRP-68 and one based on ICW-71 (Brevick 2000).« less

Mid-Neolithic Exploitation of Mollusks in the Guanzhong Basin of Northwestern China: Preliminary Results

PubMed Central

Li, Fengjiang; Wu, Naiqin; Lu, Houyuan; Zhang, Jianping; Wang, Weilin; Ma, Mingzhi; Zhang, Xiaohu; Yang, Xiaoyan

2013-01-01

Mollusk remains are abundant in archaeological sites in the Guanzhong Basin of Northwestern China, providing good opportunities for investigations into the use of mollusks by prehistoric humans. Here we report on freshwater gastropod and bivalve mollusks covering the time interval from about 5600 to 4500 cal. yrs BP from sites of Mid-Late Neolithic age. They are identified as Cipangopaludina chinensis and Unio douglasiae, both of which are currently food for humans. The shells are well preserved and have no signs of abrasion. They are all freshwater gastropods and bivalves found in pits without water-reworked deposits and have modern representatives which can be observed in rivers, reservoirs, and paddy fields in the studied region. Mollusk shells were frequently recovered in association with mammal bones, lithic artifacts, and pottery. These lines of evidence indicate that the mollusks are the remains of prehistoric meals. The mollusk shells were likely discarded into the pits by prehistoric humans after the flesh was eaten. However, these mollusk remains may not have been staple food since they are not found in large quantities. Mollusk shell tools and ornaments are also observed. Shell tools include shell knives, shell reaphooks and arrowheads, whereas shell ornaments are composed of pendants and loops. All the shell tools and ornaments are made of bivalve mollusks and do not occur in large numbers. The finding of these freshwater mollusk remains supports the view that the middle Holocene climate in the Guanzhong Basin may have been warm and moist, which was probably favorable to freshwater mollusks growing and developing in the region. PMID:23544050

Al K x-ray production for incident /sup 16/O ions: The influence of target thickness effects on observed target x-ray yields

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

Gray, T.J.; Richard, P.; Gealy, G.

1979-04-01

Thin solid Al targets ranging in thickness from approx. 1 to 30 ..mu..g/cm/sup 2/ were bombarded by /sup 16/O ions wih incident energies from 0.25 to 2.25 MeV/amu. The effects of target thickness on the measured Al K x-ray yield for ions incident without an initial K-shell vacancy were determined. Comparisons of the data for Al K x-ray production in vanishingly thin targets (and 29-..mu..g/cm/sup 2/ targets) were made to perturbed-stationary-state calculations (PSS) for O ions on Al targets. The PSS calculations contained corrections for Coulomb deflection and binding energy (PSS(CB)) and for Coulomb deflection, binding energy, and polarization (PSS(CBP)).more » Further, two different PSS calculation procedures were employed: calculations without radial cutoffs employed in the binding-energy contribution (PSS), and calculations with radial cutoffs employed in the binding-energy correction (NPSS). The PSS(CBP) calculations agree with the measured Al K x-ray production cross section for data taken in the limit of a vanishingly thin target. The NPSS(CBP) calculations agree with the data taken for a 29-..mu..g/cm/sup 2/ Al target. The latter agreement is fortuitous, as the increase observed in the measured target x-ray yield for the 29-..mu..g/cm/sup 2/ target, in comparison to the yield extracted as rhox ..-->.. 0 at each bombarding energy, is due to K-shell--to--K-shell charge exchange. Comparisons are made with previously published data for /sup 16/O ions incident on finite-thickness Al targets.« less

Understanding Oxygen Vacancy Formation, Interaction, Transport, and Strain in SOFC Components via Combined Thermodynamics and First Principles Calculations

NASA Astrophysics Data System (ADS)

Das, Tridip

Understanding of the vacancy formation, interaction, increasing its concentration and diffusion, and controlling its chemical strain will advance the design of mixed ionic and electronic conductor (MIEC) materials via element doping and strain engineering. This is especially central to improve the performance of the solid oxide fuel cell (SOFC), an energy conversion device for sustainable future. The oxygen vacancy concentration grows exponentially with the temperature at dilute vacancy concentration but not at higher concentration, or even decreases due to oxygen vacancy interaction and vacancy ordered phase change. This limits the ionic conductivity. Using density functional theory (DFT), we provided fundamental understanding on how oxygen vacancy interaction originates in one of the typical MIEC, La1-xSrxFeO3-delta (LSF). The vacancy interaction is determined by the interplay of the charge state of multi-valence ion (Fe), aliovalent doping (La/Sr ratio), the crystal structure, and the oxygen vacancy concentration and/or nonstoichiometry (delta). It was found excess electrons left due to the formation of a neutral oxygen vacancy get distributed to Fe directly connected to the vacancy or to the second nearest neighboring Fe, based on crystal field splitting of Fe 3d orbital in different Fe-O polyhedral coordination. The progressively larger polaron size and anisotropic shape changes with increasing Sr-content resulted in increasing oxygen vacancy interactions, as indicated by an increase in the oxygen vacancy formation energy above a critical delta threshold. This was consistent with experimental results showing that Sr-rich LSF and highly oxygen deficient compositions are prone to oxygen-vacancy-ordering-induced phase transformations, while Sr-poor and oxygen-rich LSF compositions are not. Since oxygen vacancy induced phase transformations, cause a decrease in the mobile oxygen vacancy site fraction (X), both delta and X were predicted as a function of temperature and oxygen partial pressure, for multiple LSF compositions and phases using a combined thermodynamics and DFT approach. A detailed oxygen vacancy migration barrier calculation gave the oxygen ionic diffusivity and conductivity. Oxygen vacancy also causes chemical strain, which was treated as a scalar in the literature. However, in many materials, it should be a tensor, which is anisotropic. We illustrate this effect on CeO2, in which it explained a puzzling experiment, which shows significant amplification of measured strain on applied bias in non-stoichiometric Gd doped ceria. The presence of highly localized 4f valence orbital in Ce causes charge disproportionation on the formation of neutral oxygen vacancy, producing anisotropic chemical strain in ceria with cubic symmetry. Understanding of delta and X and anisotropic chemical strain in the lattice has led to the design of better MIEC via element doping and strain engineering of the lattice.

Vacancy-stabilized crystalline order in hard cubes

PubMed Central

Smallenburg, Frank; Filion, Laura; Marechal, Matthieu; Dijkstra, Marjolein

2012-01-01

We examine the effect of vacancies on the phase behavior and structure of systems consisting of hard cubes using event-driven molecular dynamics and Monte Carlo simulations. We find a first-order phase transition between a fluid and a simple cubic crystal phase that is stabilized by a surprisingly large number of vacancies, reaching a net vacancy concentration of approximately 6.4% near bulk coexistence. Remarkably, we find that vacancies increase the positional order in the system. Finally, we show that the vacancies are delocalized and therefore hard to detect. PMID:23012241

Spherical and tubule nanocarriers for sustained drug release

PubMed Central

Shutava, T.; Fakhrullin, R.; Lvov, Y.

2014-01-01

We discuss new trends in Layer-by-Layer (LbL) encapsulation of spherical and tubular cores of 50–150 nm diameter and loaded with drugs. This core size decrease (from few micrometers to a hundred of nanometers) for LbL encapsulation required development of sonication assistant non-washing technique and shell PEGylation to reach high colloidal stability of drug nanocarriers at 2–3 mg/mL concentration in isotonic buffers and serum. For 120–170 nm spherical LbL nanocapsules of low soluble anticancer drugs, polyelectrolyte shell thickness controls drug dissolution. As for nanotube carriers, we concentrated on natural halloysite clay nanotubes as cores for LbL encapsulation that allows high drug loading and sustains its release over tens and hundreds hours. Further drug release prolongation was reached with formation of the tube-end stoppers. PMID:25450068

New Methodology for First Principle Calculations of Electrical Levels for Radiation Induced Defects in Silicates

DTIC Science & Technology

2005-02-22

1993). 72 U. Itoh, Y. Toyoshima, H . Onuki , N. Washida, and T. Ibuki, J. Chem. Phys. 85, 4867 (1986). 73 M. J. Field, P. A. Bash, and M. Karplus, J...the following publi- cations: 1. V. B. Sulimov, P. V. Sushko, A. H . Edwards, A. L. Shluger, and A. M. Stoneham, ”Asymmetry and log-range character of...lattice deformation by neu- tral oxygen vacancy in alpha-quartz”, Physical Re- view B, 66, p. 024108, (2002). 2. A. H . Edwards, P. V. Sushko, A. L

Effect of γ-IRRADIATION on the Mechanical Properties of Al-Cu Alloy

NASA Astrophysics Data System (ADS)

Abo-Elsoud, M.; Ismail, H.; Sobhy, Maged S.

SEM observations and Vickers hardness tests were performed to identify the irradiation effects. γ-irradiation effect during the aging hardening process can be explained depending on the composition of the alloy and is used to derive quantitative information on the kinetics of the transformation precipitates. Increasing the Cu content of an Al-Cu alloy can improve the aging hardness. The present results of the hardness behavior, with SEM observations of surveillance specimens at different doses, suggest that the radiation-induced defects are probably complex valence-solute clusters. These clusters act as nuclei for the precipitation of θ-Al2Cu type. This can be effectively utilized to study the systematics of nucleation of precipitates at vacancy-type defects. γ-irradiation probably plays the key role in defects responsible for material strengthening and embrittlement.

Influence of vacancy defect on surface feature and adsorption of Cs on GaN(0001) surface.

PubMed

Ji, Yanjun; Du, Yujie; Wang, Meishan

2014-01-01

The effects of Ga and N vacancy defect on the change in surface feature, work function, and characteristic of Cs adsorption on a (2 × 2) GaN(0001) surface have been investigated using density functional theory with a plane-wave ultrasoft pseudopotential method based on first-principles calculations. The covalent bonds gain strength for Ga vacancy defect, whereas they grow weak for N vacancy defect. The lower work function is achieved for Ga and N vacancy defect surfaces than intact surface. The most stable position of Cs adatom on Ga vacancy defect surface is at T1 site, whereas it is at B(Ga) site on N vacancy defect surface. The E(ads) of Cs on GaN(0001) vacancy defect surface increases compared with that of intact surface; this illustrates that the adsorption of Cs on intact surface is more stable.

Mesoscale modeling of vacancy-mediated Si segregation near an edge dislocation in Ni under irradiation

NASA Astrophysics Data System (ADS)

Li, Zebo; Trinkle, Dallas R.

2017-04-01

We use a continuum method informed by transport coefficients computed using self-consistent mean field theory to model vacancy-mediated diffusion of substitutional Si solutes in FCC Ni near an a/2 [1 1 ¯0 ] (111 ) edge dislocation. We perform two sequential simulations: first under equilibrium boundary conditions and then under irradiation. The strain field around the dislocation induces heterogeneity and anisotropy in the defect transport properties and determines the steady-state vacancy and Si distributions. At equilibrium both vacancies and Si solutes diffuse to form Cottrell atmospheres with vacancies accumulating in the compressive region above the dislocation core while Si segregates to the tensile region below the core. Irradiation raises the bulk vacancy concentration, driving vacancies to flow into the dislocation core. The out-of-equilibrium vacancy fluxes drag Si atoms towards the core, causing segregation to the compressive region, despite Si being an oversized solute in Ni.

Dynamics of vacancies in two-dimensional Lennard-Jones crystals

NASA Astrophysics Data System (ADS)

Yao, Zhenwei; Olvera de La Cruz, Monica

2015-03-01

Vacancies represent an important class of crystallographic defects, and their behaviors can be strongly coupled with relevant material properties. We report the rich dynamics of vacancies in two-dimensional Lennard-Jones crystals in several thermodynamic states. Specifically, we numerically observe significantly faster diffusion of the 2-point vacancy with two missing particles in comparison with other types of vacancies; it opens the possibility of doping 2-point vacancies into atomic materials to enhance atomic migration. In addition, the resulting dislocations in the healing of a long vacancy suggest the intimate connection between vacancies and topological defects that may provide an extra dimension in the engineering of defects in extensive crystalline materials for desired properties. We thank the financial support from the U.S. Department of Commerce, National Institute of Standards and Technology, the Office of the Director of Defense Research and Engineering (DDR&E) and the Air Force Office of Scientific Research.

Influence of Vacancy Defect on Surface Feature and Adsorption of Cs on GaN(0001) Surface

PubMed Central

Ji, Yanjun; Du, Yujie; Wang, Meishan

2014-01-01

The effects of Ga and N vacancy defect on the change in surface feature, work function, and characteristic of Cs adsorption on a (2 × 2) GaN(0001) surface have been investigated using density functional theory with a plane-wave ultrasoft pseudopotential method based on first-principles calculations. The covalent bonds gain strength for Ga vacancy defect, whereas they grow weak for N vacancy defect. The lower work function is achieved for Ga and N vacancy defect surfaces than intact surface. The most stable position of Cs adatom on Ga vacancy defect surface is at T1 site, whereas it is at BGa site on N vacancy defect surface. The E ads of Cs on GaN(0001) vacancy defect surface increases compared with that of intact surface; this illustrates that the adsorption of Cs on intact surface is more stable. PMID:25126599

Vacancy dynamic in Ni-Mn-Ga ferromagnetic shape memory alloys

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

Merida, D., E-mail: david.merida@ehu.es; Elektrizitate eta Elektronika Saila, Euskal Herriko Unibertsitatea UPV/EHU, p.k. 644, 48080 Bilbao; García, J. A.

2014-06-09

Vacancies control any atomic ordering process and consequently most of the order-dependent properties of the martensitic transformation in ferromagnetic shape memory alloys. Positron annihilation spectroscopy demonstrates to be a powerful technique to study vacancies in NiMnGa alloys quenched from different temperatures and subjected to post-quench isothermal annealing treatments. Considering an effective vacancy type the temperature dependence of the vacancy concentration has been evaluated. Samples quenched from 1173 K show a vacancy concentration of 1100 ± 200 ppm. The vacancy migration and formation energies have been estimated to be 0.55 ± 0.05 eV and 0.90 ± 0.07 eV, respectively.

Biomechanical tolerance of whole lumbar spines in straightened posture subjected to axial acceleration.

PubMed

Stemper, Brian D; Chirvi, Sajal; Doan, Ninh; Baisden, Jamie L; Maiman, Dennis J; Curry, William H; Yoganandan, Narayan; Pintar, Frank A; Paskoff, Glenn; Shender, Barry S

2018-06-01

Quantification of biomechanical tolerance is necessary for injury prediction and protection of vehicular occupants. This study experimentally quantified lumbar spine axial tolerance during accelerative environments simulating a variety of military and civilian scenarios. Intact human lumbar spines (T12-L5) were dynamically loaded using a custom-built drop tower. Twenty-three specimens were tested at sub-failure and failure levels consisting of peak axial forces between 2.6 and 7.9 kN and corresponding peak accelerations between 7 and 57 g. Military aircraft ejection and helicopter crashes fall within these high axial acceleration ranges. Testing was stopped following injury detection. Both peak force and acceleration were significant (p < 0.0001) injury predictors. Injury probability curves using parametric survival analysis were created for peak acceleration and peak force. Fifty-percent probability of injury (95%CI) for force and acceleration were 4.5 (3.9-5.2 kN), and 16 (13-19 g). A majority of injuries affected the L1 spinal level. Peak axial forces and accelerations were greater for specimens that sustained multiple injuries or injuries at L2-L5 spinal levels. In general, force-based tolerance was consistent with previous shorter-segment lumbar spine testing (3-5 vertebrae), although studies incorporating isolated vertebral bodies reported higher tolerance attributable to a different injury mechanism involving structural failure of the cortical shell. This study identified novel outcomes with regard to injury patterns, wherein more violent exposures produced more injuries in the caudal lumbar spine. This caudal migration was likely attributable to increased injury tolerance at lower lumbar spinal levels and a faster inertial mass recruitment process for high rate load application. Published 2017. This article is a U.S. Government work and is in the public domain in the USA. J Orthop Res 36:1747-1756, 2018. Published 2017. This article is a U.S. Government work and is in the public domain in the USA.

Experimental determination of the x-ray atomic fundamental parameters of nickel

NASA Astrophysics Data System (ADS)

Ménesguen, Y.; Lépy, M.-C.; Hönicke, P.; Müller, M.; Unterumsberger, R.; Beckhoff, B.; Hoszowska, J.; Dousse, J.-Cl; Błachucki, W.; Ito, Y.; Yamashita, M.; Fukushima, S.

2018-02-01

The x-ray atomic properties of nickel (Ni) were investigated in a unique approach combining different experimental techniques to obtain new, useful and reliable values of atomic fundamental parameters for x-ray spectrometric purposes and for comparison with theoretical predictions. We determined the mass attenuation coefficients in an energy range covering the L- and K-absorption edges, the K-shell fluorescence yield and the Kβ/Kα and Kβ1, 3/Kα1, 2 transition probability ratios. The obtained line profiles and linewidths of the Kα and Kβ transitions in Ni can be considered as the contribution of the satellite lines arising from the [KM] shake processes suggested by Deutsch et al (1995 Phys. Rev. A 51 283) and Ito et al (2016 Phys. Rev. A 94 042506). Comparison of the new data with several databases showed good agreement, but also discrepancies were found with existing tabulated values.

Density functional study of carbon vacancies in titanium carbide

NASA Astrophysics Data System (ADS)

Råsander, Mikael; Hugosson, Håkan W.; Delin, Anna

2018-01-01

It is well established that TiC contains carbon vacancies not only in carbon-deficient environments but also in carbon-rich environments. We have performed density functional calculations of the vacancy formation energy in TiC for C- as well as Ti-rich conditions using several different approximations to the exchange-correlation functional, and also carefully considering the nature and thermodynamics of the carbon reference state, as well as the effect of varying growth conditions. We find that the formation of carbon vacancies is clearly favorable under Ti-rich conditions, whereas it is slightly energetically unfavorable under C-rich conditions. Furthermore, we find that the relaxations of the atoms close to the vacancy site are rather long-ranged, and that these relaxations contribute significantly to the stabilization of the vacancy. Since carbon vacancies in TiC are also experimentally observed in carbon-rich environments, we conclude that kinetics may play an important role. This conclusion is consistent with the experimentally observed high activation energies and sluggish diffusion of vacancies in TiC, effectively causing a freezing in of the vacancies.

Appearance of superconductivity at the vacancy order-disorder boundary in KxFe2 -ySe2

NASA Astrophysics Data System (ADS)

Duan, Chunruo; Yang, Junjie; Ren, Yang; Thomas, Sean M.; Louca, Despina

2018-05-01

The role of phase separation and the effect of Fe-vacancy ordering in the emergence of superconductivity in alkali metal doped iron selenides AxFe2 -ySe2 (A = K, Rb, Cs) is explored. High energy x-ray diffraction and Monte Carlo simulation were used to investigate the crystal structure of quenched superconducting (SC) and as-grown nonsuperconducting (NSC) KxFe2 -ySe2 single crystals. The coexistence of superlattice structures with the in-plane √{2 }×√{2 } K-vacancy ordering and the √{5 }×√{5 } Fe-vacancy ordering were observed in both the SC and NSC crystals alongside the I4/mmm Fe-vacancy-free phase. Moreover, in the SC crystals, an Fe-vacancy-disordered phase is additionally proposed to be present. Monte Carlo simulations suggest that it appears at the boundary between the I4/mmm vacancy-free phase and the I4/m vacancy-ordered phases (√{5 }×√{5 } ). The vacancy-disordered phase is nonmagnetic and is most likely the host of superconductivity.

Geologic evidence northeast of Puerto Rico for an Atlantic tsunami in the last 500 years

NASA Astrophysics Data System (ADS)

Atwater, B. F.; Tuttle, M. P.

2008-12-01

A historical tsunami of undetermined origin best explains a suite of probably related features at Anegada, British Virgin Islands: shore-normal scours, fields of cobbles and boulders, a horizon of sand and shell, and salt ponds. Anegada's exposed location and low-lying landscape make the island a natural tsunami recorder. Facing the Puerto Rico Trench at the northeast corner of the Caribbean, barely 10 km from the top of the continental slope, Anegada can receive tsunamis almost directly from the open North Atlantic. The island's highest ground consists of a limestone platform that crests 8 m above sea level. Many of Anegada's shores adjoin beach ridges, composed of distinctively pink bioclastic sand, that stand less than 5 m above sea level. Behind the ridges are salt ponds that rarely rise above high tide levels of the surrounding sea. The island's name, coined in 1493 during Columbus's second voyage, means "drowned." Local eyewitnesses to Hurricane Donna, at category 4 when its eye crossed Anegada in 1960, recounted no storm-caused versions of the following features: SCOURS. Dozens of coast-normal scours cut across beach ridges of the island's north-central shore. The largest of them holds a pond 200 m long and a few tens of meters wide. The scours are better explained by overwash of the ridges than by inheritance of any pre-existing carbonate landform; they differ in size and shape from spurs and grooves of the island's barrier reef and from the sinkholes of the limestone platform. More than one time of overwash is permitted by differences among the headward limits of the scours. COBBLES AND BOULDERS. Inland from the scours, as much as 1 km inland of Anegada's north-central shore, fields of limestone cobbles and boulders extend tens of meters southward from limestone knolls. Like the scours, they imply overwash from the north. SAND AND SHELL BED. An event horizon as much as 25 cm thick probably extends 2 km southward beneath bottom sediments and fringing microbial mats of the main salt pond studied (Bumber Well Pond). The horizon contains a basal northern unit of pink bioclastic sand that probably relates to the cutting of scours or to enlargement of pre- existing scours in the beach ridges to the north. The horizon also contains a widespread unit of marine molluscan shells that extends as float onto the limestone platform. SALT PONDS. The sand and shell horizon marks an event that changed the island's interior water bodies from nearly marine to hypersaline. The nearly marine conditions are recorded by mollusk-rich lagoonal mud below the event horizon, while the hypersaline conditions are marked mollusk-free salt-pond deposits above. The salinity change probably resulted from choking of the lagoon's likely inlet (or inlets) on Anegada's south side. A tsunami from the north, after scouring beach ridges and moving cobbles and boulders, probably also built sandy fans into the former inlet(s). This inferred tsunami probably postdates 1460-1620 C.E., the two-sigma range corresponding to the youngest radiocarbon age obtained on individual detrital shells in the event horizon. Potential correlates, in addition to earthquakes along the Puerto Rico Trench, include the transatlantic tsunami associated with the 1755 Lisbon earthquake. This work is part of Nuclear Regulatory Commission project N6480, a tsunam-hazard assessment for the eastern United States. We especially thank, in addition, Cindy Rolli of BVI Disaster Management and field assistant Caitlin Herlihy.

Response of moderately thick laminated cross-ply composite shells subjected to random excitation

NASA Technical Reports Server (NTRS)

Elishakoff, Isaak; Cederbaum, Gabriel; Librescu, Liviu

1989-01-01

This study deals with the dynamic response of transverse shear deformable laminated shells subjected to random excitation. The analysis encompasses the following problems: (1) the dynamic response of circular cylindrical shells of finite length excited by an axisymmetric uniform ring loading, stationary in time, and (2) the response of spherical and cylindrical panels subjected to stationary random loadings with uniform spatial distribution. The associated equations governing the structural theory of shells are derived upon discarding the classical Love-Kirchhoff (L-K) assumptions. In this sense, the theory is formulated in the framework of the first-order transverse shear deformation theory (FSDT).

Reproducing the observed energy-dependent structure of Earth's electron radiation belts during storm recovery with an event-specific diffusion model

DOE PAGES

Ripoll, J. -F.; Reeves, Geoffrey D.; Cunningham, Gregory Scott; ...

2016-06-11

Here, we present dynamic simulations of energy-dependent losses in the radiation belt “slot region” and the formation of the two-belt structure for the quiet days after the 1 March storm. The simulations combine radial diffusion with a realistic scattering model, based data-driven spatially and temporally resolved whistler-mode hiss wave observations from the Van Allen Probes satellites. The simulations reproduce Van Allen Probes observations for all energies and L shells (2–6) including (a) the strong energy dependence to the radiation belt dynamics (b) an energy-dependent outer boundary to the inner zone that extends to higher L shells at lower energies andmore » (c) an “S-shaped” energy-dependent inner boundary to the outer zone that results from the competition between diffusive radial transport and losses. We find that the characteristic energy-dependent structure of the radiation belts and slot region is dynamic and can be formed gradually in ~15 days, although the “S shape” can also be reproduced by assuming equilibrium conditions. The highest-energy electrons (E > 300 keV) of the inner region of the outer belt (L ~ 4–5) also constantly decay, demonstrating that hiss wave scattering affects the outer belt during times of extended plasmasphere. Through these simulations, we explain the full structure in energy and L shell of the belts and the slot formation by hiss scattering during storm recovery. We show the power and complexity of looking dynamically at the effects over all energies and L shells and the need for using data-driven and event-specific conditions.« less

Plasmonic Photovoltaic Cells with Dual-Functional Gold, Silver, and Copper Half-Shell Arrays.

PubMed

Wu, Ling; Kim, Gyu Min; Nishi, Hiroyasu; Tatsuma, Tetsu

2017-09-12

Solid-state photovoltaic cells based on plasmon-induced charge separation (PICS) have attracted growing attention during the past decade. However, the power conversion efficiency (PCE) of the previously reported devices, which are generally loaded with dispersed metal nanoparticles as light absorbers, has not been sufficiently high. Here we report simpler plasmonic photovoltaic cells with interconnected Au, Ag, and Cu half-shell arrays deposited on SiO 2 @TiO 2 colloidal crystals, which serve both as a plasmonic light absorber and as a current collector. The well-controlled and easily prepared plasmonic structure allows precise comparison of the PICS efficiency between different plasmonic metal species. The cell with the Ag half-shell array has higher photovoltaic performance than the cells with Au and Cu half-shell arrays because of the high population of photogenerated energetic electrons, which gives a high electron injection efficiency and suppressed charge recombination probability, achieving the highest PCE among the solid-state PICS devices even without a hole transport layer.

Primary radiation damage characterization of α-iron under irradiation temperature for various PKA energies

NASA Astrophysics Data System (ADS)

Sahi, Qurat-ul-ain; Kim, Yong-Soo

2018-04-01

The understanding of radiation-induced microstructural defects in body-centered cubic (BCC) iron is of major interest to those using advanced steel under extreme conditions in nuclear reactors. In this study, molecular dynamics (MD) simulations were implemented to examine the primary radiation damage in BCC iron with displacement cascades of energy 1, 5, 10, 20, and 30 keV at temperatures ranging from 100 to 1000 K. Statistical analysis of eight MD simulations of collision cascades were carried out along each [110], [112], [111] and a high index [135] direction and the temperature dependence of the surviving number of point defects and the in-cascade clustering of vacancies and interstitials were studied. The peak time and the corresponding number of defects increase with increasing irradiation temperature and primary knock-on atom (PKA) energy. However, the final number of surviving point defects decreases with increasing lattice temperature. This is associated with the increase of thermal spike at high PKA energy and its long timespan at higher temperatures. Defect production efficiency (i.e., surviving MD defects, per Norgett-Robinson-Torrens displacements) also showed a continuous decrease with the increasing irradiation temperature and PKA energy. The number of interstitial clusters increases with both irradiation temperature and PKA energy. However, the increase in the number of vacancy clusters with PKA energy is minimal-to-constant and decreases as the irradiation temperature increases. Similarly, the probability and cluster size distribution for larger interstitials increase with temperature, whereas only smaller size vacancy clusters were observed at higher temperatures.

Intramolecular interactions of L-phenylalanine revealed by inner shell chemical shift

NASA Astrophysics Data System (ADS)

Ganesan, Aravindhan; Wang, Feng

2009-07-01

Intramolecular interactions of the functional groups, carboxylic acid, amino, and phenyl in L-phenylalanine have been revealed through inner shell chemical shift. The chemical shift and electronic structures are studied using its derivatives, 2-phenethylamine (PEA) and 3-phenylpropionic acid (PPA), through substitutions of the functional groups on the chiral carbon Cα, i.e., carboxylic acid (-COOH) and amino (-NH2) groups. Inner shell ionization spectra of L-phenylalanine are simulated using density functional theory based B3LYP/TZVP and LB94/et-pVQZ models, which achieve excellent agreement with the most recently available synchrotron sourced x-ray photoemission spectroscopy of L-phenylalanine (Elettra, Italy). The present study reveals insight into behavior of the peptide bond (CO-NH) through chemical shift of the C1-Cα-Cβ(-Cγ) chain and intramolecular interactions with phenyl. It is found that the chemical shift of the carbonyl C1(=O) site exhibits an apparently redshift (smaller energy) when interacting with the phenyl aromatic group. Removal of the amino group (-NH2) from L-phenylalanine (which forms PPA) brings this energy on C1 close to that in L-alanine (δ <0.01 eV). Chemical environment of Cα and Cβ exhibits more significant differences in L-alanine than in the aromatic species, indicating that the phenyl group indeed affects the peptide bond in the amino acid fragment. No direct evidences are found that the carbonyl acid and amino group interact with the phenyl ring through conventional hydrogen bonds.

Gold fillings unravel the vacancy role in the phase transition of GeTe

NASA Astrophysics Data System (ADS)

Feng, Jinlong; Xu, Meng; Wang, Xiaojie; Lin, Qi; Cheng, Xiaomin; Xu, Ming; Tong, Hao; Miao, Xiangshui

2018-02-01

Phase change memory (PCM) is an important candidate for future memory devices. The crystalline phase of PCM materials contains abundant intrinsic vacancies, which plays an important role in the rapid phase transition upon memory switching. However, few experimental efforts have been invested to study these invisible entities. In this work, Au dopants are alloyed into the crystalline GeTe to fill the intrinsic Ge vacancies so that the role of these vacancies in the amorphization of GeTe can be indirectly studied. As a result, the reduction of Ge vacancies induced by Au dopants hampers the amorphization of GeTe as the activation energy of this process becomes higher. This is because the vacancy-interrupted lattice can be "repaired" by Au dopants with the recovery of bond connectivity. Our results demonstrate the importance of vacancies in the phase transition of chalcogenides, and we employ the percolation theory to explain the impact of these intrinsic defects on this vacancy-ridden crystal quantitatively. Specifically, the threshold of amorphization increases with the decrease in vacancies. The understanding of the vacancy effect sheds light on the long-standing puzzle of the mechanism of ultra-fast phase transition in PCMs. It also paves the way for designing low-power-consumption electronic devices by reducing the threshold of amorphization in chalcogenides.

Stiffness and strength of oxygen-functionalized graphene with vacancies

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

Zandiatashbar, A.; Ban, E.; Picu, R. C., E-mail: picuc@rpi.edu

2014-11-14

The 2D elastic modulus (E{sup 2D}) and strength (σ{sup 2D}) of defective graphene sheets containing vacancies, epoxide, and hydroxyl functional groups are evaluated at 300 K by atomistic simulations. The fraction of vacancies is controlled in the range 0% to 5%, while the density of functional groups corresponds to O:C ratios in the range 0% to 25%. In-plane modulus and strength diagrams as functions of vacancy and functional group densities are generated using models with a single type of defect and with combinations of two types of defects (vacancies and functional groups). It is observed that in models containing only vacancies,more » the rate at which strength decreases with increasing the concentration of defects is largest, followed by models containing only epoxide groups and those with only hydroxyl groups. The effect on modulus of vacancies and epoxides present alone in the model is similar, and much stronger than that of hydroxyl groups. When the concentration of defects is large, the combined effect of the functional groups and vacancies cannot be obtained as the superposition of individual effects of the two types of defects. The elastic modulus deteriorates faster (slower) than predicted by superposition in systems containing vacancies and hydroxyl groups (vacancies and epoxide groups)« less

Migration of defect clusters and xenon-vacancy clusters in uranium dioxide

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

Chen, Dong; Gao, Fei; Deng, Huiqiu

2014-07-01

The possible transition states, minimum energy paths and migration mechanisms of defect clusters and xenon-vacancy defect clusters in uranium dioxide have been investigated using the dimer and the nudged elastic-band methods. The nearby O atom can easily hop into the oxygen vacancy position by overcoming a small energy barrier, which is much lower than that for the migration of a uranium vacancy. A simulation for a vacancy cluster consisting of two oxygen vacancies reveals that the energy barrier of the divacancy migration tends to decrease with increasing the separation distance of divacancy. For an oxygen interstitial, the migration barrier formore » the hopping mechanism is almost three times larger than that for the exchange mechanism. Xe moving between two interstitial sites is unlikely a dominant migration mechanism considering the higher energy barrier. A net migration process of a Xe-vacancy pair containing an oxygen vacancy and a xenon interstitial is identified by the NEB method. We expect the oxygen vacancy-assisted migration mechanism to possibly lead to a long distance migration of the Xe interstitials in UO2. The migration of defect clusters involving Xe substitution indicates that Xe atom migrating away from the uranium vacancy site is difficult.« less

A divalent rare earth oxide semiconductor: Yttrium monoxide

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

Kaminaga, Kenichi; Sei, Ryosuke; Department of Chemistry, Tohoku University, Sendai 980-8578

Rare earth oxides are usually widegap insulators like Y{sub 2}O{sub 3} with closed shell trivalent rare earth ions. In this study, solid phase rock salt structure yttrium monoxide, YO, with unusual valence of Y{sup 2+} (4d{sup 1}) was synthesized in a form of epitaxial thin film by pulsed laser deposition method. YO has been recognized as gaseous phase in previous studies. In contrast with Y{sub 2}O{sub 3}, YO was dark-brown colored and narrow gap semiconductor. The tunable electrical conductivity ranging from 10{sup −1} to 10{sup 3} Ω{sup −1 }cm{sup −1} was attributed to the presence of oxygen vacancies serving as electron donor.more » Weak antilocalization behavior observed in magnetoresistance indicated significant role of spin-orbit coupling as a manifestation of 4d electron carrier.« less

Experimental investigation of vector static magnetic field detection using an NV center with a single first-shell 13C nuclear spin in diamond

NASA Astrophysics Data System (ADS)

Jiang, Feng-Jian; Ye, Jian-Feng; Jiao, Zheng; Jiang, Jun; Ma, Kun; Yan, Xin-Hu; Lv, Hai-Jiang

2018-05-01

We perform a proof-of-principle experiment that uses a single negatively charged nitrogen–vacancy (NV) color center with a nearest neighbor 13C nuclear spin in diamond to detect the strength and direction (including both polar and azimuth angles) of a static vector magnetic field by optical detection magnetic resonance (ODMR) technique. With the known hyperfine coupling tensor between an NV center and a nearest neighbor 13C nuclear spin, we show that the information of static vector magnetic field could be extracted by observing the pulsed continuous wave (CW) spectrum. Project supported by the National Natural Science Foundation of China (Grant Nos. 11305074, 11135002, and 11275083), the Key Program of the Education Department Outstanding Youth Foundation of Anhui Province, China (Grant No. gxyqZD2017080), and the Education Department Natural Science Foundation of Anhui Province, China (Grant No. KJHS2015B09).

On the viability of exploiting L-shell fluorescence for X-ray polarimetry

NASA Technical Reports Server (NTRS)

Weisskopf, M. C.; Sutherland, P. G.; Elsner, R. F.; Ramsey, B. D.

1985-01-01

It has been suggested that one may build an X-ray polarimeter by exploiting the polarization dependence of the angular distribution of L-shell fluorescence photons. In this paper the sensitivity of this approach to polarimetry is examined theoretically. The calculations are applied to several detection schemes using imaging proportional counters that would have direct application in X-ray astronomy. It is found, however, that the sensitivity of this method for measuring X-ray polarization is too low to be of use for other than laboratory applications.

Phenolic profile and antioxidant activity from non-toxic Mexican Jatropha curcas L. shell methanolic extracts.

PubMed

Perea-Domínguez, Xiomara Patricia; Espinosa-Alonso, Laura Gabriela; Hosseinian, Farah; HadiNezhad, Mehri; Valdez-Morales, Maribel; Medina-Godoy, Sergio

2017-03-01

Jatropha curcas seed shells are the by-product obtained during oil extraction process. Recently, its chemical composition has gained attention since its potential applications. The aim of this study was to identify phenolic compounds profile from a non-toxic J. curcas shell from Mexico, besides, evaluate J. curcas shell methanolic extract (JcSME) antioxidant activity. Free, conjugate and bound phenolics were fractionated and quantified (606.7, 193.32 and 909.59 μg/g shell, respectively) and 13 individual phenolic compounds were detected by HPLC. The radical-scavenging activity of JcSME was similar to Trolox and ascorbic acid by DPPH assay while by ABTS assay it was similar to BHT. Effective antioxidant capacity by ORAC was found (426.44 ± 53.39 μmol Trolox equivalents/g shell). The Mexican non-toxic J. curcas shell is rich in phenolic compounds with high antioxidant activity; hence, it could be considerate as a good source of natural antioxidants.

Limacina retroversa's response to combined effects of ocean acidification and sea water freshening

NASA Astrophysics Data System (ADS)

Manno, C.; Morata, N.; Primicerio, R.

2012-11-01

Anthropogenic carbon dioxide emissions induce ocean acidification, thereby reducing carbonate ion concentration, which may affect the ability of calcifying organisms to build shells. Pteropods, the main planktonic producers of aragonite in the worlds' oceans, may be particularly vulnerable to changes in sea water chemistry. The negative effects are expected to be most severe at high-latitudes, where natural carbonate ion concentrations are low. In this study we investigated the combined effects of ocean acidification and freshening on Limacina retroversa, the dominant pteropod in sub polar areas. Living L. retroversa, collected in Northern Norwegian Sea, were exposed to four different pH values ranging from the pre-industrial level to the forecasted end of century ocean acidification scenario. Since over the past half-century the Norwegian Sea has experienced a progressive freshening with time, each pH level was combined with a salinity gradient in two factorial, randomized experiments investigating shell degradation, swimming behavior and survival. In addition, to investigate shell degradation without any physiologic influence, one perturbation experiments using only shells of dead pteropods was performed. Lower pH reduced shell mass whereas shell dissolution increased with pCO2. Interestingly, shells of dead organisms had a higher degree of dissolution than shells of living individuals. Mortality of Limacina retroversa was strongly affected only when both pH and salinity reduced simultaneously. The combined effects of lower salinity and lower pH also affected negatively the ability of pteropods to swim upwards. Results suggest that the energy cost of maintaining ion balance and avoiding sinking (in low salinity scenario) combined with the extra energy cost necessary to counteract shell dissolution (in high pCO2 scenario), exceed the available energy budget of this organism causing the pteropods to change swimming behavior and begin to collapse. Since L. retroversa play an important role in the transport of carbonates to the deep oceans these findings have significant implications for the mechanisms influencing the inorganic carbon cycle in the sub-polar area.

Inner-shell/subshell photoionization cross section measurements using a gamma excited variable energy X-ray source

NASA Astrophysics Data System (ADS)

Sood, B. S.; Allawadhi, K. L.; Arora, S. K.

1982-02-01

The method developed for the determination of K/L shell photoionization cross sections in various elements, 39 ≤ Z ≤ 92, in the characteristic X-ray energy region using a gamma excited variable energy X-ray source has been used for the measurement of L III subshell photoionization cross sections in Pb, Th and U. The measurements are made at the K X-ray energies of Rb, Nb and Mo, since these are able to excite selectively the L III subshells of Pb, Th and U, respectively. The results, when compared with theoretical calculations of Scofield, are found to agree within the uncertainties of determination.

First-principles study of intrinsic vacancy defects in Sr2MgSi2O7 phosphorescent host material

NASA Astrophysics Data System (ADS)

Duan, H.; Dong, Y. Z.; Huang, Y.; Hu, Y. H.; Chen, X. S.

2016-01-01

Electronic structures of intrinsic vacancy defects in Sr2MgSi2O7 phosphorescent host material are investigated using first-principles calculations. Si vacancies are too high in energy to play any role in the persistent luminescence of Sr2MgSi2O7 phosphor. Mg vacancies form easier than Sr vacancies as a result of strain relief. Among all the vacancies, O1 vacancies stand out as a likely candidate because they are the most favorable in energy and introduce an empty triply degenerate state just below the CBM and a fully-occupied singlet state at ~1 eV above the VBM, constituting in this case effective hole trap level and electron trap levels, respectively. Mg vacancies are unlikely to explain the persistent luminescence because of its too shallow electron trap level but they may compensate the hole trap associated with O1 vacancies. We yield consistent evidence for the defect physics of these vacancy defects on the basis of the equilibrium properties of Sr2MgSi2O7, total-energy calculations, and electronic structures. The persistent luminescence mechanism of Sr2MgSi2O7:Eu2+, Dy3+ phosphor is also discussed based on our results for O1 vacancies trap center. Our results provide a guide to more refined experiments to control intrinsic traps, whereby probing synthetic strategies toward new improved phosphors.

Vacancy-hydrogen complexes in ammonothermal GaN

NASA Astrophysics Data System (ADS)

Tuomisto, F.; Kuittinen, T.; Zając, M.; Doradziński, R.; Wasik, D.

2014-10-01

We have applied positron annihilation spectroscopy to study in-grown vacancy defects in bulk GaN crystals grown by the ammonothermal method. We observe a high concentration of Ga vacancy related defects in n-type samples with varying free electron and oxygen content. The positron lifetimes found in these samples suggest that the Ga vacancies are complexed with hydrogen impurities. The number of hydrogen atoms in each vacancy decreases with increasing free electron concentration and oxygen and hydrogen content. The local vibrational modes observed in infrared absorption support this conclusion. Growth of high-quality ammonothermal GaN single crystals with varying electron concentrations. Identification of defect complexes containing a Ga vacancy and 1 or more hydrogen atoms, and possibly O. These vacancy complexes provide a likely explanation for electrical compensation in ammonothermal GaN.

Spectral modeling of laser-produced underdense titanium plasmas

NASA Astrophysics Data System (ADS)

Chung, Hyun-Kyung; Back, Christina A.; Scott, Howard A.; Constantin, Carmen; Lee, Richard W.

2004-11-01

Experiments were performed at the NIKE laser to create underdense low-Z plasmas with a small amount of high-Z dopant in order to study non-LTE population kinetics. An absolutely calibrated spectra in 470-3000 eV was measured in time-resolved and time-averaged fashion from SiO2 aerogel target with 3% Ti dopant. K-shell Ti emission was observed as well as L-shell Ti emission. Time-resolved emission show that lower energy photons peak later than higher energy photons due to plasma cooling. In this work, we compare the measured spectra with non-LTE spectral calculations of titanium emission at relatively low temperatures < 1 keV and electron densities from 1e19 to 1e21 cm-3. A temperature diagnostics using the charge state distributions dominated by L-shell ions will be discussed.

First-principles study of band gap engineering via oxygen vacancy doping in perovskite ABB'O₃ solid solutions

DOE PAGES

Qi, Tingting; Curnan, Matthew T.; Kim, Seungchul; ...

2011-12-15

Oxygen vacancies in perovskite oxide solid solutions are fundamentally interesting and technologically important. However, experimental characterization of the vacancy locations and their impact on electronic structure is challenging. We have carried out first-principles calculations on two Zr-modified solid solutions, Pb(Zn 1/3Nb 2/3)O₃ and Pb(Mg 1/3Nb 2/3)O₃, in which vacancies are present. We find that the vacancies are more likely to reside between low-valent cation-cation pairs than high-valent cation-cation pairs. Based on the analysis of our results, we formulate guidelines that can be used to predict the location of oxygen vacancies in perovskite solid solutions. Our results show that vacancies canmore » have a significant impact on both the conduction and valence band energies, in some cases lowering the band gap by ≈0.5 eV. The effects of vacancies on the electronic band structure can be understood within the framework of crystal field theory.« less

Oxygen Migration and Local Structural Changes with Schottky Defects in Pure Zirconium Oxide Crystals

NASA Astrophysics Data System (ADS)

Terada, Yayoi; Mohri, Tetsuo

2018-05-01

By employing the Buckingham potential, we performed classical molecular-dynamics computer simulations at constant pressure and temperature for a pure ZrO2 crystal without any vacancies and for a pure ZrO2 crystal containing zirconium vacancies and oxygen vacancies. We examined the positions of atoms and vacancies in the steady state, and we investigated the migration behavior of atoms and the local structure of vacancies of the pure ZrO2 crystal. We found that Schottky defects (aggregates consisting of one zirconium vacancy with an effective charge of -4 and two oxygen vacancies each with an effective charge of +2 to maintain charge neutrality) are the main defects formed in the steady state in cubic ZrO2, and that oxygen migration occurs through a mechanism involving vacancies on the oxygen sublattice near such defects. We also found that several oxygen atoms near each defect are displaced far from the sublattice site and induce oxygen migration.

Vacancy-controlled ultrastable nanoclusters in nanostructured ferritic alloys

PubMed Central

Zhang, Z. W.; Yao, L.; Wang, X.-L.; Miller, M. K.

2015-01-01

A new class of advanced structural materials, based on the Fe-O-vacancy system, has exceptional resistance to high-temperature creep and excellent tolerance to extremely high-dose radiation. Although these remarkable improvements in properties compared to steels are known to be associated with the Y-Ti-O-enriched nanoclusters, the roles of vacancies in facilitating the nucleation of nanoclusters are a long-standing puzzle, due to the experimental difficulties in characterizing vacancies, particularly in-situ while the nanoclusters are forming. Here we report an experiment study that provides the compelling evidence for the presence of significant concentrations of vacancies in Y-Ti-O-enriched nanoclusters in a nanostructured ferritic alloy using a combination of state-of-the-art atom-probe tomography and in situ small angle neutron scattering. The nucleation of nanoclusters starts from the O-enriched solute clustering with vacancy mediation. The nanoclusters grow with an extremely low growth rate through attraction of vacancies and O:vacancy pairs, leading to the unusual stability of the nanoclusters. PMID:26023747

Effect of structural defects on electronic and magnetic properties of ZrS2 monolayer

NASA Astrophysics Data System (ADS)

Wang, Haiyang; Zhao, Xu; Gao, Yonghui; Wang, Tianxing; Wei, Shuyi

2018-04-01

We aimed at ten configurations of vacancy defects and used the first-principles methods based on density functional theory to research electronic and magnetic properties of ZrS2 monolayer. Results show that the system of two-zirconium vacancy (V2zr) and one Zr atom + one S atom vacancy (V1Zr+1S) can induce to total spin magnetic moment of 0.245μB and 0.196μB, respectively. In addition, three and six S atoms vacancy can induce corresponding system to manifest spin magnetic moment of 0.728μB and 3.311μB, respectively. In S atom vacancy defects, vacancy defects can transform the system from semiconductor to metal, several of the Zr atoms and adjacent S atoms display antiferromagnetism coupling in three apart S atom vacancy defects. Vacancy defects can make the intrisic monolayer ZrS2 transform semiconductor into metal. These results are important for the achievement of spin devices based on ZrS2 semiconductor.

Vacancy–Vacancy Interaction Induced Oxygen Diffusivity Enhancement in Undoped Nonstoichiometric Ceria

DOE PAGES

Yuan, Fenglin; Zhang, Yanwen; Weber, William J.

2015-05-19

In this paper, molecular dynamics simulations and molecular static calculations have been used to systematically study oxygen vacancy transport in undoped nonstoichiometric ceria. A strong oxygen diffusivity enhancement appears in the vacancy concentration range of 2–4% over the temperature range from 1000 to 2000 K. An Arrhenius ion diffusion mechanism by vacancy hopping along the (100) direction is unambiguously identified, and an increasing trend of both the oxygen migration barrier and the prefactor with increasing vacancy concentration is observed. Within the framework of classical diffusion theory, a weak concentration dependence of the prefactor in oxygen vacancy migration is shown tomore » be crucial for explaining the unusual fast oxygen ion migration in the low concentration range and consequently the appearance of a maximum in oxygen diffusivity. Finally, a representative (100) direction interaction model is constructed to identify long-range vacancy–vacancy interaction as the structural origin of the positive correlation between oxygen migration barrier and vacancy concentration.« less

Vacancy-controlled ultrastable nanoclusters in nanostructured ferritic alloys

DOE PAGES

Zhang, Z. W.; Yao, L.; Wang, X. -L.; ...

2015-05-29

A new class of advanced structural materials, based on the Fe-O-vacancy system, has exceptional resistance to high-temperature creep and excellent tolerance to extremely high-dose radiation. Although these remarkable improvements in properties compared to steels are known to be associated with the Y-Ti-O-enriched nanoclusters, the roles of vacancies in facilitating the nucleation of nanoclusters are a long-standing puzzle, due to the experimental difficulties in characterizing vacancies, particularly in-situ while the nanoclusters are forming. We report an experiment study that provides the compelling evidence for the presence of significant concentrations of vacancies in Y-Ti-O-enriched nanoclusters in a nanostructured ferritic alloy using amore » combination of state-of-the-art atom-probe tomography and in situ small angle neutron scattering. The nucleation of nanoclusters starts from the O-enriched solute clustering with vacancy mediation. The nanoclusters grow with an extremely low growth rate through attraction of vacancies and O:vacancy pairs, leading to the unusual stability of the nanoclusters.« less

The mechanism of oxidation in chromophore maturation of wild-type green fluorescent protein: a theoretical study.

PubMed

Ma, Yingying; Sun, Qiao; Smith, Sean C

2017-05-24

Oxidation is viewed as the second and rate-limiting step in the chromophore maturation process of the wild-type green fluorescent protein (GFP) under aerobic conditions. Molecular oxygen is the necessary oxidant for GFP chromophore biosynthesis. In this study, density functional theory (DFT) calculations were employed to study the mechanism of oxidation. Our results indicate that the deprotonation of the Tyr66 α-carbon is probably the rate-limiting step in the oxidation step. Electron transfer from the enolate form of the five-membered heterocycle (EFMH) to molecular oxygen, generating the triplet radical complex [EFMH˙O 2 - ˙] T , is an important step. This complex undergoes intersystem crossing to form an open-shell singlet diradical complex before it forms the closed-shell singlet hydroperoxy adduct. The formation of the hydroperoxy adduct is a proton-coupled electron transfer process. The energy barrier of H 2 O 2 elimination is 16.5 kcal mol -1 . The oxidation product IFMHH 2 O 2 that we discovered is a hydroxylated cyclic imine structure, which is consistent with the crystal structure trapped in the colorless Y66L variant. The relative energy of the oxidation product is -48.7 kcal mol -1 , which is in accordance with the experimental observation that the thermodynamically unfavourable cyclized product is trapped by oxidation. The results herein support the cyclization-oxidation-dehydration mechanism for the chromophore maturation of GFP.

Enteric-coated sustained-release nanoparticles by coaxial electrospray: preparation, characterization, and in vitro evaluation

NASA Astrophysics Data System (ADS)

Hao, Shilei; Wang, Bochu; Wang, Yazhou; Xu, Yingqian

2014-02-01

Enteric-coated formulations can delay the release of drugs until they have passed through the stomach. However, high concentration of drugs caused by rapidly released in the small intestine leads to the intestinal damage, and frequent administration would increase the probability of missing medication and reduce the patient compliance. To solve the above-mentioned problems, aspirin-loaded enteric-coated sustained-release nanoparticles with core-shell structure were prepared via one-step method using coaxial electrospray in this study. Eudragit L100-55 as pH-sensitive polymer and Eudragit RS as sustained-release polymer were used for the outer coating and inner core of the nanoparticles, respectively. The maximum loading capacity of nanoparticles was 23.66 % by changing the flow rate ratio of outer/inner solutions, and the entrapment efficiency was nearly 100 %. Nanoparticles with core-shell structure were observed via fluorescence microscope and transmission electron microscope. And pH-sensitive and sustained drug release profiles were observed in the media with different pH values (1.2 and 6.8). In addition, mild cytotoxicity in vitro was detected, and the nanoparticles could be taken up by Caco-2 cells within 1.0 h in cellular uptake study. These results indicate that prepared enteric-coated sustained-release nanoparticles would be a more safety and effective carrier for oral drug delivery.

Atomic and electronic structure of oxygen vacancies and Nb-impurity in SrTiO3

NASA Astrophysics Data System (ADS)

Hamid, A. S.

2009-12-01

We present the results of a first-principle full-potential linearized augmented plane wave (FLAPW) method to study the effect of defects on the electronic structure of SrTiO3. In addition, the relaxation of nearest neighbor atoms around those defects were calculated self-consistently. The calculations were performed using the local (spin) density approximations (L(S)DA), for the exchange-correlation potential. SrTiO3 was found to experience an insulator-to-metal transition upon the formation of oxygen vacancies or the substitution of Nb at the Ti site. The formation of oxygen divacancy disclosed additional states below the conduction band edge. The crystalline lattice relaxation showed displacements of atoms in rather large defective region. The magnitudes of atomic movements, however, were not large, normally not exceeding 0.15 Å. Our results were compared to the available experimental observations.

Marshak Lectureship: Vibrational properties of isolated color centers in diamond

NASA Astrophysics Data System (ADS)

Alkauskas, Audrius

In this talk we review our recent work on first-principles calculations of vibrational properties of isolated defect spin qubits and single photon emitters in diamond. These properties include local vibrational spectra, luminescence lineshapes, and electron-phonon coupling. They are key in understanding physical mechanisms behind spin-selective optical initialization and read-out, quantum efficiency of single-photon emitters, as well as in the experimental identification of as yet unknown centers. We first present the methodology to calculate and analyze vibrational properties of effectively isolated defect centers. We then apply the methodology to the nitrogen-vacancy and the silicon-vacancy centers in diamond. First-principles calculations yield important new insights about these important defects. Work performed in collaboration with M. W. Doherty, A. Gali, E. Londero, L. Razinkovas, and C. G. Van de Walle. Supported by the Research Council of Lithuania (Grant M-ERA.NET-1/2015).

7 CFR 810.401 - Definition of corn.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 7 Agriculture 7 2011-01-01 2011-01-01 false Definition of corn. 810.401 Section 810.401... GRAIN United States Standards for Corn Terms Defined § 810.401 Definition of corn. Grain that consists of 50 percent or more of whole kernels of shelled dent corn and/or shelled flint corn (Zea mays L...

7 CFR 810.401 - Definition of corn.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 7 Agriculture 7 2010-01-01 2010-01-01 false Definition of corn. 810.401 Section 810.401... GRAIN United States Standards for Corn Terms Defined § 810.401 Definition of corn. Grain that consists of 50 percent or more of whole kernels of shelled dent corn and/or shelled flint corn (Zea mays L...

Alternative Storage Environments for Shelled Peanuts.

USDA-ARS?s Scientific Manuscript database

Alternative Storage Environments for Shelled Peanuts. C. L. BUTTS1, K. HORM2, S. POWELL3, B. ANTHONY2, J. BENNETT2, D. COWART3, and M.C. LAMB1. 1USDA, ARS, National Peanut Research Laboratory, Dawson, GA, 2Mars Chocolate NA, Elizabethtown, PA,3 Birdsong Peanuts, Blakely, GA Small chamber studies w...

Photogenerated carriers transport behaviors in L-cysteine capped ZnSe core-shell quantum dots

NASA Astrophysics Data System (ADS)

Shan, Qingsong; Li, Kuiying; Xue, Zhenjie; Lin, Yingying; Yin, Hua; Zhu, Ruiping

2016-02-01

The photoexcited carrier transport behavior of zinc selenide (ZnSe) quantum dots (QDs) with core-shell structure is studied because of their unique photoelectronic characteristics. The surface photovoltaic (SPV) properties of self-assembled ZnSe/ZnS/L-Cys core-shell QDs were probed via electric field induced surface photovoltage and transient photovoltage (TPV) measurements supplemented by Fourier transform infrared, laser Raman, absorption, and photoluminescence spectroscopies. The ZnSe QDs displayed p-type SPV characteristics with a broader stronger SPV response over the whole ultraviolet-to-near-infrared range compared with those of other core-shell QDs in the same group. The relationship between the SPV phase value of the QDs and external bias was revealed in their SPV phase spectrum. The wide transient photovoltage response region from 3.3 × 10-8 to 2 × 10-3 s was closely related to the long diffusion distance of photoexcited free charge carriers in the interfacial space-charge region of the QDs. The strong SPV response corresponding to the ZnSe core mainly originated from an obvious quantum tunneling effect in the QDs.

Coexistence of three calcium carbonate polymorphs in the shell of the Antarctic clam Laternula elliptica

NASA Astrophysics Data System (ADS)

Nehrke, Gernot; Poigner, Harald; Wilhelms-Dick, Dorothee; Brey, Thomas; Abele, Doris

2012-05-01

We analyzed shell cuts of five individuals of the Antarctic bivalve Laternula elliptica from three locations along the Antarctic Peninsula by means of Confocal Raman Microscopy (CRM) as well as Electron Microprobe (EMP). The shell of L. elliptica has been previously described as being composed of aragonite exclusively. Now, CRM mapping reveals that three polymorphs of calcium carbonate - aragonite, calcite, and vaterite - are present in the chondrophore region of the examined individuals. Annual shell growth layers continue through aragonite and vaterite, suggesting simultaneous mineralization of both polymorphs. Spatially congruent EMP scans showed that the calcium carbonate polymorph affects the distribution of magnesium and strontium within the chondrophore. This is, to our knowledge, the first report of the coexistence of these three calcium carbonate polymorphs within the mineralized structures of a marine calcifying organism. Particularly the presence of vaterite is unexpected, but shows striking similarities to some fish otoliths. The strong effect of the calcium carbonate polymorph on trace element incorporation restrict the suitability of magnesium and strontium based proxies for the chondrophore area of L. elliptica.

Compensating vacancy defects in Sn- and Mg-doped In2O3

NASA Astrophysics Data System (ADS)

Korhonen, E.; Tuomisto, F.; Bierwagen, O.; Speck, J. S.; Galazka, Z.

2014-12-01

MBE-grown Sn- and Mg-doped epitaxial In2O3 thin-film samples with varying doping concentrations have been measured using positron Doppler spectroscopy and compared to a bulk crystal reference. Samples were subjected to oxygen or vacuum annealing and the effect on vacancy type defects was studied. Results indicate that after oxygen annealing the samples are dominated by cation vacancies, the concentration of which changes with the amount of doping. In highly Sn-doped In2O3 , however, these vacancies are not the main compensating acceptor. Vacuum annealing increases the size of vacancies in all samples, possibly by clustering them with oxygen vacancies.

Following electron impact excitation of single (N, O, F, Ne, Na, Mg, Al, Si) atom L subshells ionization cross section calculations by using Lotz's equation

NASA Astrophysics Data System (ADS)

Aydinol, Mahmut

2017-02-01

L shell and L subshells ionization cross sections σL and σLi (i = 1, 2, 3) following electron impact on (N,O, F, Ne, Na, Mg, Al, Si) atoms calculated. By using Lotz' equation for nonrelativistic cases in Matlab σL and σLi cross section values obtained for ten electron impact(Eo) values in the range of ELi

Early and late lithification of aragonitic bivalve beds in the Purbeck Formation (upper jurassic-lower cretaceous) of Southern England

NASA Astrophysics Data System (ADS)

El-Shahat, Adam; West, Ian

1983-05-01

Beds of euryhaline bivalves alternating with shales constitute much of the middle Purbeck Formation. They originated on "tidal" flats at the western margin of an extensive brackish lagoon. When these shell beds are thin and enclosed in shale they are often still preserved as aragonite and are associated with "beef", fibrous calcite formed during compaction. In most cases, however, the shell debris has been converted by diagenesis into calcitic biosparrudite limestones. A compacted type has been lithified at a late stage, after deep burial. In this, pyrite is abundant and most of the shell aragonite has been replaced neomorphically by ferroan pseudopleochroic calcite. A contrasting uncompacted type of biosparrudite is characterised by bivalve fragments with micrite envelopes. Shells and former pores are occupied by non-ferroan sparry calcite cement, and there is little pyrite. These limestones frequently contain dinosaur footprints and originated in "supratidal" environments where they were cemented early, mainly in meteoric water. Once lithified they were unaffected by compaction. This uncompacted type indicates phases of mild uplift or halts in subsidence. These shell-bed lithologies, and also intermediate types described here, will probably be recognised in other lagoonal formations.

22 CFR 506.6 - Publicizing vacancies.

Code of Federal Regulations, 2010 CFR

2010-04-01

... 22 Foreign Relations 2 2010-04-01 2010-04-01 true Publicizing vacancies. 506.6 Section 506.6 Foreign Relations BROADCASTING BOARD OF GOVERNORS PART-TIME CAREER EMPLOYMENT PROGRAM § 506.6 Publicizing vacancies. When applicants from outside the Federal service are desired, part-time vacancies may be...

Effect of annealing ambience on the formation of surface/bulk oxygen vacancies in TiO2 for photocatalytic hydrogen evolution

NASA Astrophysics Data System (ADS)

Hou, Lili; Zhang, Min; Guan, Zhongjie; Li, Qiuye; Yang, Jianjun

2018-01-01

The surface and bulk oxygen vacancy have a prominent effect on the photocatalytic performance of TiO2. In this study, TiO2 possessing different types and concentration of oxygen vacancies were prepared by annealing nanotube titanic acid (NTA) at various temperatures in air or vacuum atmosphere. TiO2 with the unitary bulk single-electron-trapped oxygen vacancies (SETOVs) formed when NTA were calcined in air. Whereas, TiO2 with both bulk and surface oxygen vacancies were obtained when NTA were annealed in vacuum. The series of TiO2 with different oxygen vacancies were systematically characterized by TEM, XRD, PL, XPS, ESR, and TGA. The PL and ESR analysis verified that surface oxygen vacancies and more bulk oxygen vacancies could form in vacuum atmosphere. Surface oxygen vacancies can trap electron and hinder the recombination of photo-generated charges, while bulk SETOVs act as the recombination center. The surface or bulk oxygen vacancies attributed different roles on the photo-absorbance and activity, leading that the sample of NTA-A400 displayed higher hydrogen evolution rate under UV light, whereas NTA-V400 displayed higher hydrogen evolution rate under visible light because bulk SETOVs can improve visible light absorption because sub-band formed by bulk SETOVs prompted the secondary transition of electron excited.

Role of oxygen defects on the magnetic properties of ultra-small Sn1-xFexO2 nanoparticles

NASA Astrophysics Data System (ADS)

Dodge, Kelsey; Chess, Jordan; Eixenberger, Josh; Alanko, Gordon; Hanna, Charles B.; Punnoose, Alex

2013-05-01

Although the role of oxygen defects in the magnetism of metal oxide semiconductors has been widely discussed, it is been difficult to directly measure the oxygen defect concentration of samples to verify this. This work demonstrates a direct correlation between the photocatalytic activity of Sn1-xFexO2 nanoparticles and their magnetic properties. For this, a series of ˜2.6 nm sized, well characterized, single-phase Sn1-xFexO2 crystallites with x = 0-0.20 were synthesized using tin acetate, urea, and appropriate amounts of iron acetate. X-ray photoelectron spectroscopy confirmed the concentration and 3+ oxidation state of the doped Fe ions. The maximum magnetic moment/Fe ion, μ, of 1.6 × 10-4 μB observed for the 0.1% Fe doped sample is smaller than the expected spin-only contribution from either high or low spin Fe3+ ions, and μ decreases with increasing Fe concentration. This behavior cannot be explained by the existing models of magnetic exchange. Photocatalytic studies of pure and Fe-doped SnO2 were used to understand the roles of doped Fe3+ ions and of the oxygen vacancies and defects. The photocatalytic rate constant k also showed an increase when SnO2 nanoparticles were doped with low concentrations of Fe3+, reaching a maximum at 0.1% Fe, followed by a rapid decrease of k for further increase in Fe%. Fe doping presumably increases the concentration of oxygen vacancies, and both Fe3+ ions and oxygen vacancies act as electron acceptors to reduce e--h+ recombination and promote transfer of electrons (and/or holes) to the nanoparticle surface, where they participate in redox reactions. This electron transfer from the Fe3+ ions to local defect density of states at the nanoparticle surface could develop a magnetic moment at the surface states and leads to spontaneous ferromagnetic ordering of the surface shell under favorable conditions. However, at higher doping levels, the same Fe3+ ions might act as recombination centers causing a decrease of both k and magnetic moment μ.

Vacancy charged defects in two-dimensional GaN

NASA Astrophysics Data System (ADS)

González, Roberto; López-Pérez, William; González-García, Álvaro; Moreno-Armenta, María G.; González-Hernández, Rafael

2018-03-01

In this paper, we have studied the structural and electronic properties of vacancy charged defects in the graphene phase (honeycomb type) of gallium nitride (g-GaN) by using first-principle calculations within the framework of the Density Functional Theory. It is found that the vacancies introduce defect levels in the band gap, and these generate a total magnetization in the g-GaN system. The formation energy with different charge states for the vacancies of gallium and nitrogen were calculated, obtaining higher energies than the GaN wurtzite phase (w-GaN). Furthermore, nitrogen vacancies were found to be more stable than gallium vacancies in a whole range of electronic chemical potential. Finally, gallium and nitrogen vacancies produce a nonzero magnetic moment in g-GaN, making it a potential candidate for future spintronics applications.

Nesting environment may drive variation in eggshell structure and egg characteristics in the Testudinata.

PubMed

Deeming, D Charles

2018-05-14

Testudines exhibit considerable variation in the degree of eggshell calcification, which affects eggshell conductance, water physiology of the embryos, and calcium metabolism of embryos. However, the underlying reason for different shell types has not been explored. Phylogenetically controlled analyses examined relationships between egg size, shell mass, and clutch size in ∼200 turtle species from a range of body sizes and assigned by family as laying either rigid- or pliable-shelled eggs. Shell type affected egg breadth relative to pelvic dimensions, egg mass, and relative shell mass but did not affect size, mass, or total shell mass of the clutch. These results suggest that calcium availability may be a function of body size and the type of shell may reflect in part the interplay between clutch size and egg size. It was further concluded that the eggshell probably evolved as a means of physical protection. Differences in shell calcification may not primarily reflect reproductive parameters but rather correlate with the acidity of a species' nesting environment. Low pH environments may have thicker calcareous layer to counteract the erosion caused by the soil and maintain the integrity of the physical barrier. Limited calcium availability may constrain clutch size. More neutral nesting substrates expose eggshells to less erosion so calcification per egg can be reduced and this allows larger clutch sizes. This pattern is also reflected in thick, calcified crocodilian eggs. Further research is needed to test whether eggshell calcification in the testudines correlates with nest pH in order to verify this relationship. © 2018 Wiley Periodicals, Inc.

Snails, stable iostopes, and southwestern desert paleoclimates

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

Sharpe, S.E.; Whelan, J.F.; Forester, R.M.

1995-09-01

Modern and fossil molluscs (snails) occur in many localities in and semi-arid regions throughout the desert southwest. Live terrestrial snails are found under rocks and in forest litter and aquatic taxa inhabit springs, seeps, and/or wetlands. Molluscs uptake local water during their growing season (spring and summer) and incorporate its delta 180 signature into their shells. Preliminary 180 analysis of modem shells from the southern Great Basin indicates that the shells probably reflect meteoric water 180 values during the growing season. This provides a way to estimate the delta 180 value of precipitation and, thereby, the source of the moisture-bearingmore » air masses. Significant 180 variability in shells analyzed include geographic location, elevation, taxonomy, and habitat (terrestrial, spring, or wetland). We found a rough inverse correlation with elevation in modem shells from the Spring Range in southern Nevada. The delta 180 values of modem and fossil shells are also very different; modem values in this location are much higher than those from nearby late Pleistocene-age molluscs suggesting that the Pleistocene summers were variously colder and wetter than today or less evaporative (more humid). Assuming shell material directly reflects the 180 of the growing-season environment, comparison of modem and fossil shell delta 180 values can potentially identify changes in air-mass moisture sources and can help to define seasonal precipitation change through time. Comprehension and quantification of community and isotopic variability in modem gastropods is required to create probabilistic valid transfer functions with fossil materials. Valid inferences about past environmental conditions can then be established with known confidence limits.« less

Enceladus's crust as a non-uniform thin shell: I tidal deformations

NASA Astrophysics Data System (ADS)

Beuthe, Mikael

2018-03-01

The geologic activity at Enceladus's south pole remains unexplained, though tidal deformations are probably the ultimate cause. Recent gravity and libration data indicate that Enceladus's icy crust floats on a global ocean, is rather thin, and has a strongly non-uniform thickness. Tidal effects are enhanced by crustal thinning at the south pole, so that realistic models of tidal tectonics and dissipation should take into account the lateral variations of shell structure. I construct here the theory of non-uniform viscoelastic thin shells, allowing for depth-dependent rheology and large lateral variations of shell thickness and rheology. Coupling to tides yields two 2D linear partial differential equations of the fourth order on the sphere which take into account self-gravity, density stratification below the shell, and core viscoelasticity. If the shell is laterally uniform, the solution agrees with analytical formulas for tidal Love numbers; errors on displacements and stresses are less than 5% and 15%, respectively, if the thickness is less than 10% of the radius. If the shell is non-uniform, the tidal thin shell equations are solved as a system of coupled linear equations in a spherical harmonic basis. Compared to finite element models, thin shell predictions are similar for the deformations due to Enceladus's pressurized ocean, but differ for the tides of Ganymede. If Enceladus's shell is conductive with isostatic thickness variations, surface stresses are approximately inversely proportional to the local shell thickness. The radial tide is only moderately enhanced at the south pole. The combination of crustal thinning and convection below the poles can amplify south polar stresses by a factor of 10, but it cannot explain the apparent time lag between the maximum plume brightness and the opening of tiger stripes. In a second paper, I will study the impact of a non-uniform crust on tidal dissipation.

Probing the pre-PN Mass Loss Histories in the PPN Dust Shells

NASA Astrophysics Data System (ADS)

Ueta, T.

2001-12-01

Proto-planetary nebulae (PPNs) are immediate progenitors of planetary nebulae (PNs) rapidly evolving over a relatively short time scale. Unlike the full-fledged PNs, the circumstellar dust shells of PPNs have neither been photo-ionized nor been swept up by fast winds. Since the PPN shells retain pristine fossil records of mass loss histories of these stars during the pre-PN phases, these dust shells provide ideal astronomical laboratories in which to investigate the origin of complex PN structures that we observe. We have conducted imaging surveys of the PPN shells in mid-infrared and optical wavelengths, probing the dust distribution directly via mid-infrared thermal dust emission arising from the shells and indirectly via dust-scattered stellar optical emission passing through the shells. From these surveys, we have found that (1) the PPN shells are intrinsically axisymmetric due to equatorially-enhanced superwind mass loss that occurred immediately before the beginning of the PPN phase, and (2) the variable degree of equatorial enhancement in the shells, which is probably related to the progenitor mass, has resulted in different optical depths and morphologies. To characterize the PPN shell geometries, we have developed and employed a 2.5 dimensional radiative transfer code that treats dust absorption, reemission, and an/isotropic scattering in any axisymmetric system illuminated by a central energy source. In the code, the dust optical properties are derived from the laboratory-measured refractive index using Mie theory allowing a distribution of sizes for each species in each composition layer in the shell. Our numerical analysis would be able to de-project and recover 3-D geometrical quantities, such as the pole-to-equator density ratio, from the observational data. These model calculations would provide constraining parameters for hydrodynamical models intended to generate equatorial enhancements during dust mass loss as well as initial parameters for magneto-hydrodynamical models aimed to reproduce highly complex PN morphologies.

Energetic, structural and electronic properties of metal vacancies in strained AlN/GaN interfaces.

PubMed

Kioseoglou, J; Pontikis, V; Komninou, Ph; Pavloudis, Th; Chen, J; Karakostas, Th

2015-04-01

AlN/GaN heterostructures have been studied using density-functional pseudopotential calculations yielding the formation energies of metal vacancies under the influence of local interfacial strains, the associated charge distribution and the energies of vacancy-induced electronic states. Interfaces are built normal to the polar <0 0 0 1> direction of the wurtzite structure by joining two single crystals of AlN and GaN that are a few atomic layers thick; thus, periodic boundary conditions generate two distinct heterophase interfaces. We show that the formation energy of vacancies is a function of their distance from the interfaces: the vacancy-interface interaction is found repulsive or attractive, depending on the type of the interface. When the interaction is attractive, the vacancy formation energy decreases with increasing the associated electric charge, and hence the equilibrium vacancy concentration at the interface is greater. This finding can reveal the well-known morphological differences existing between the two types of investigated interfaces. Moreover, we found that the electric charge is strongly localized around the Ga vacancy, while in the case of Al vacancies is almost uniformly distributed throughout the AlN/GaN heterostructure. Crucially, for the applications of heterostructures, metal vacancies introduce deep states in the calculated bandgap at energy levels from 0.5 to 1 eV above the valence band maximum (VBM). It is, therefore, predicted that vacancies could initiate 'green luminescence' i.e. light emission in the energy range of 2.5 eV stemming from electronic transitions between these extra levels, and the conduction band, or energy levels, due to shallow donors.

Simulation study of 3-5 keV x-ray conversion efficiency from Ar K-shell vs. Ag L-shell targets on the National Ignition Facility laser

NASA Astrophysics Data System (ADS)

Kemp, G. E.; Colvin, J. D.; Fournier, K. B.; May, M. J.; Barrios, M. A.; Patel, M. V.; Scott, H. A.; Marinak, M. M.

2015-05-01

Tailored, high-flux, multi-keV x-ray sources are desirable for studying x-ray interactions with matter for various civilian, space and military applications. For this study, we focus on designing an efficient laser-driven non-local thermodynamic equilibrium 3-5 keV x-ray source from photon-energy-matched Ar K-shell and Ag L-shell targets at sub-critical densities (˜nc/10) to ensure supersonic, volumetric laser heating with minimal losses to kinetic energy, thermal x rays and laser-plasma instabilities. Using Hydra, a multi-dimensional, arbitrary Lagrangian-Eulerian, radiation-hydrodynamics code, we performed a parameter study by varying initial target density and laser parameters for each material using conditions readily achievable on the National Ignition Facility (NIF) laser. We employ a model, benchmarked against Kr data collected on the NIF, that uses flux-limited Lee-More thermal conductivity and multi-group implicit Monte-Carlo photonics with non-local thermodynamic equilibrium, detailed super-configuration accounting opacities from Cretin, an atomic-kinetics code. While the highest power laser configurations produced the largest x-ray yields, we report that the peak simulated laser to 3-5 keV x-ray conversion efficiencies of 17.7% and 36.4% for Ar and Ag, respectively, occurred at lower powers between ˜100-150 TW. For identical initial target densities and laser illumination, the Ag L-shell is observed to have ≳10× higher emissivity per ion per deposited laser energy than the Ar K-shell. Although such low-density Ag targets have not yet been demonstrated, simulations of targets fabricated using atomic layer deposition of Ag on silica aerogels (˜20% by atomic fraction) suggest similar performance to atomically pure metal foams and that either fabrication technique may be worth pursuing for an efficient 3-5 keV x-ray source on NIF.

24 CFR 983.254 - Vacancies.

Code of Federal Regulations, 2010 CFR

2010-04-01

... vacancy (and notwithstanding the reasonable good faith efforts of the PHA to fill such vacancies), the PHA... on the PHA waiting list referred by the PHA. (3) The PHA and the owner must make reasonable good faith efforts to minimize the likelihood and length of any vacancy. (b) Reducing number of contract...

75 FR 3967 - Bank Secrecy Act Advisory Group; Solicitation of Application for Membership

Federal Register 2010, 2011, 2012, 2013, 2014

2010-01-25

... INFORMATION: The Annunzio-Wylie Anti-Money Laundering Act of 1992 required the Secretary of the Treasury to...--Banking (1 vacancy) Industry Trade Groups--Casino (1 vacancy) Industry Trade Groups--Money Services... Groups--State (1 vacancy) Industry Representatives--Banking (3 vacancies) Industry Representatives--Money...

X-ray transitions studied for decelerated bare and H-like uranium ions at the ESR electron cooler

NASA Astrophysics Data System (ADS)

Gumberidze, A.; Stöhlker, Th.; Bednarz, G.; Beyer, H. F.; Bosch, F.; Cai, X.; Hagmann, S.; Klepper, O.; Kozhuharov, C.; Liesen, D.; Ma, X.; Mokler, P. H.; Sierpowski, D.; Stachura, Z.; Steck, M.; Toleikis, S.; Warczak, A.; Zou, Y.

2003-05-01

Here we report on X-ray spectra induced by spontaneous capture of free electrons into decelerated bare- and hydrogen-like uranium ions which we measured recently at the cooler section of the ESR storage ring. The most intense lines observed in spectra can be attributed to direct transition of electrons into the K shell of the projectile ions and to characteristic L → K (Lyα) transitions. Radiative recombination lines into the K shell of bare and H-like uranium can be exploited for measuring the two-electron contribution to the ground state binding energy in helium-like uranium. The goal is to probe for high-Z ions bound-state QED corrections which are of the order of α2. Besides the dominant characteristic L → K transitions, the strongly reduced Bremsstrahlung (due to the low cooler voltage applied to the decelerated ions) allowed us to observe for the very first time RR transitions into the L shell as well as the balmer radiation located at the low-energy part of the spectra.

Core-shell nanoscale coordination polymers combine chemotherapy and photodynamic therapy to potentiate checkpoint blockade cancer immunotherapy

NASA Astrophysics Data System (ADS)

He, Chunbai; Duan, Xiaopin; Guo, Nining; Chan, Christina; Poon, Christopher; Weichselbaum, Ralph R.; Lin, Wenbin

2016-08-01

Advanced colorectal cancer is one of the deadliest cancers, with a 5-year survival rate of only 12% for patients with the metastatic disease. Checkpoint inhibitors, such as the antibodies inhibiting the PD-1/PD-L1 axis, are among the most promising immunotherapies for patients with advanced colon cancer, but their durable response rate remains low. We herein report the use of immunogenic nanoparticles to augment the antitumour efficacy of PD-L1 antibody-mediated cancer immunotherapy. Nanoscale coordination polymer (NCP) core-shell nanoparticles carry oxaliplatin in the core and the photosensitizer pyropheophorbide-lipid conjugate (pyrolipid) in the shell (NCP@pyrolipid) for effective chemotherapy and photodynamic therapy (PDT). Synergy between oxaliplatin and pyrolipid-induced PDT kills tumour cells and provokes an immune response, resulting in calreticulin exposure on the cell surface, antitumour vaccination and an abscopal effect. When combined with anti-PD-L1 therapy, NCP@pyrolipid mediates regression of both light-irradiated primary tumours and non-irradiated distant tumours by inducing a strong tumour-specific immune response.

Nuclear Time Delay Effects on K-Vacancy Production in Deep-Inelastic U+U Collisions

NASA Astrophysics Data System (ADS)

Molitoris, John David

1987-09-01

Atomic K-vacancy production in 7.5-MeV/u U+U collisons has been studied for small-impact-parameter (b) elastic scattering and for deep-inelastic nuclear reactions, by measuring coincidences between U x-rays and scattered U particles. The K-vacancy production probability (P(,K)(b)) in elastic U+U collisions was measured as a function of b and it is shown that P(,K) follows a scaling law from b = 10 to 85 fm. Below 10 fm, P(,K)(b) increases sharply from 0.91 (+OR-) 0.08 at 11.6 fm to a maximum of 1.8 (+OR -) 0.18 vacancies per collison at 7 fm. This behavior at small b could be due to rotational coupling of the 2p(,3/2)(pi), 2p(,3/2)(sigma) (--->) 2p(,1/2)(sigma) molecular orbitals, but present theoretical calculations do not reflect this. Since internal conversion is a major background in these measurements, it was necessary to observe how the internal conversion changes in elastic collisions as b (--->) 0, so that the internal conversion for atomic collisons accompanied by nuclear reactions could be understood. Nuclear-reaction effects of P(,K)(b (DBLTURN) 0) were studied as a function of the total kinetic energy loss (TKEL) of the nuclear interaction for 2-body break -up (U + U (--->) U' + U'') and 3-body break-up (U + U ( --->) U' + 2ff). In 4-body break-up (U + U (--->) 2ff' + 2ff''), P(,K) was measured over all TKEL. In 2-body break-up a 78% reduction of P(,K) is observed between TKEL = 0 and 275 MeV. This trend matches a theoretical decrease in P(,K)(T(,D)), where T(,D) in the nuclear interaction time or delay time. A parametric relation between TKEL and T(,D) can be formed between the theoretical calculation and the experimental result. A delay time of (0.52 (+OR -) 0.17) x 10('-21) sec at TKEL = 100 MeV is deter- mined. There is overall agreement between this atomic physics result and nuclear diffusion model calculations. The measured P(,K)(TKEL) for 3-body break-up is nearly identical to that of 2-body break-up. This indicates that there is a large compo- nent of fissioning nuclei ((TURN)50%) whose fission time (T(,f)) can not be much smaller than the U K-vacancy decay time (T(,K)(U) (DBLTURN) 10('-18) sec). The overall P(,K)('3-body) results and a study of distinct spatial orientations of the fission fragments in relation to the surviving U-like partner show a reduction in P(,K)('3-body) for TKEL >(, )175 MeV. This could imply that T(,f) (LESSTHEQ) 10('-18) sec for TKEL >(, )175 MeV. Measurement of the net U K x-ray yield over all TKEL in 4-body break-up reveals that P(,K)('4-body) = 0.36 (+OR-) 0.08. When compared to similar net probabilities for 2- and 3-body break-up, this indicates that about 50% of the U-like reaction partners which ultimately fission live at least 10('-18) sec. This result is in overall agreement with the 3-body results, but exceeds usual nuclear physics estimates of T(,f) (TURN) 10('-20) sec. However, crystal blocking techniques have observed long lived fission components (T(,f) (GREATERTHEQ) 10('-18) sec) in some nuclear reactions.

Beta-decay rate and beta-delayed neutron emission probability of improved gross theory

NASA Astrophysics Data System (ADS)

Koura, Hiroyuki

2014-09-01

A theoretical study has been carried out on beta-decay rate and beta-delayed neutron emission probability. The gross theory of the beta decay is based on an idea of the sum rule of the beta-decay strength function, and has succeeded in describing beta-decay half-lives of nuclei overall nuclear mass region. The gross theory includes not only the allowed transition as the Fermi and the Gamow-Teller, but also the first-forbidden transition. In this work, some improvements are introduced as the nuclear shell correction on nuclear level densities and the nuclear deformation for nuclear strength functions, those effects were not included in the original gross theory. The shell energy and the nuclear deformation for unmeasured nuclei are adopted from the KTUY nuclear mass formula, which is based on the spherical-basis method. Considering the properties of the integrated Fermi function, we can roughly categorized energy region of excited-state of a daughter nucleus into three regions: a highly-excited energy region, which fully affect a delayed neutron probability, a middle energy region, which is estimated to contribute the decay heat, and a region neighboring the ground-state, which determines the beta-decay rate. Some results will be given in the presentation. A theoretical study has been carried out on beta-decay rate and beta-delayed neutron emission probability. The gross theory of the beta decay is based on an idea of the sum rule of the beta-decay strength function, and has succeeded in describing beta-decay half-lives of nuclei overall nuclear mass region. The gross theory includes not only the allowed transition as the Fermi and the Gamow-Teller, but also the first-forbidden transition. In this work, some improvements are introduced as the nuclear shell correction on nuclear level densities and the nuclear deformation for nuclear strength functions, those effects were not included in the original gross theory. The shell energy and the nuclear deformation for unmeasured nuclei are adopted from the KTUY nuclear mass formula, which is based on the spherical-basis method. Considering the properties of the integrated Fermi function, we can roughly categorized energy region of excited-state of a daughter nucleus into three regions: a highly-excited energy region, which fully affect a delayed neutron probability, a middle energy region, which is estimated to contribute the decay heat, and a region neighboring the ground-state, which determines the beta-decay rate. Some results will be given in the presentation. This work is a result of Comprehensive study of delayed-neutron yields for accurate evaluation of kinetics of high-burn up reactors entrusted to Tokyo Institute of Technology by the Ministry of Education, Culture, Sports, Science and Technology of Japan.

Vacancy identification in Co+ doped rutile TiO2 crystal with positron annihilation spectroscopy

NASA Astrophysics Data System (ADS)

Qin, X. B.; Zhang, P.; Liang, L. H.; Zhao, B. Z.; Yu, R. S.; Wang, B. Y.; Wu, W. M.

2011-01-01

Co-doped rutile TiO2 films were synthesized by ion implantation. Variable energy positron annihilation Doppler broadening spectroscopy and coincidence Doppler broadening measurements were performed for identification of the vacancies. A newly formed type of vacancy can be concluded by the S-W plot and the CDB results indicated that the oxygen vacancy (VO) complex Ti-Co-VO and/or Ti-VO are formed with Co ions implantation and the vacancy concentration is increased with increase of dopant dose.

76 FR 39775 - Approval and Promulgation of Air Quality Implementation Plans; Louisiana; Determination of...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-07-07

... Louisiana L.L.C, National Petrochemical & Refiners Association (``NPRA''), PCS Nitrogen Fertilizer, Shell... requirements, Volatile organic compounds. Dated: June 23, 2011. Al Armendariz, Regional Administrator, Region 6...

Ab initio studies of isolated hydrogen vacancies in graphane

NASA Astrophysics Data System (ADS)

Mapasha, R. E.; Molepo, M. P.; Chetty, N.

2016-05-01

We present a density functional study of various hydrogen vacancies located on a single hexagonal ring of graphane (fully hydrogenated graphene) considering the effects of charge states and the position of the Fermi level. We find that uncharged vacancies that lead to a carbon sublattice balance are energetically favorable and are wide band gap systems just like pristine graphane. Vacancies that do create a sublattice imbalance introduce spin polarized states into the band gap, and exhibit a half-metallic behavior with a magnetic moment of 1.00 μB per vacancy. The results show the possibility of using vacancies in graphane for novel spin-based applications. When charging such vacancy configurations, the deep donor (+1/0) and deep acceptor (0/-1) transition levels within the band gap are noted. We also note a half-metallic to metallic transition and a significant reduction of the induced magnetic moment due to both negative and positive charge doping.

Atomic layer confined vacancies for atomic-level insights into carbon dioxide electroreduction

NASA Astrophysics Data System (ADS)

Gao, Shan; Sun, Zhongti; Liu, Wei; Jiao, Xingchen; Zu, Xiaolong; Hu, Qitao; Sun, Yongfu; Yao, Tao; Zhang, Wenhua; Wei, Shiqiang; Xie, Yi

2017-02-01

The role of oxygen vacancies in carbon dioxide electroreduction remains somewhat unclear. Here we construct a model of oxygen vacancies confined in atomic layer, taking the synthetic oxygen-deficient cobalt oxide single-unit-cell layers as an example. Density functional theory calculations demonstrate the main defect is the oxygen(II) vacancy, while X-ray absorption fine structure spectroscopy reveals their distinct oxygen vacancy concentrations. Proton transfer is theoretically/experimentally demonstrated to be a rate-limiting step, while energy calculations unveil that the presence of oxygen(II) vacancies lower the rate-limiting activation barrier from 0.51 to 0.40 eV via stabilizing the formate anion radical intermediate, confirmed by the lowered onset potential from 0.81 to 0.78 V and decreased Tafel slope from 48 to 37 mV dec-1. Hence, vacancy-rich cobalt oxide single-unit-cell layers exhibit current densities of 2.7 mA cm-2 with ca. 85% formate selectivity during 40-h tests. This work establishes a clear atomic-level correlation between oxygen vacancies and carbon dioxide electroreduction.

Suppression of vacancy cluster growth in concentrated solid solution alloys

DOE PAGES

Zhao, Shijun; Velisa, Gihan; Xue, Haizhou; ...

2016-12-13

Large vacancy clusters, such as stacking-fault tetrahedra, are detrimental vacancy-type defects in ion-irradiated structural alloys. Suppression of vacancy cluster formation and growth is highly desirable to improve the irradiation tolerance of these materials. In this paper, we demonstrate that vacancy cluster growth can be inhibited in concentrated solid solution alloys by modifying cluster migration pathways and diffusion kinetics. The alloying effects of Fe and Cr on the migration of vacancy clusters in Ni concentrated alloys are investigated by molecular dynamics simulations and ion irradiation experiment. While the diffusion coefficients of small vacancy clusters in Ni-based binary and ternary solid solutionmore » alloys are higher than in pure Ni, they become lower for large clusters. This observation suggests that large clusters can easily migrate and grow to very large sizes in pure Ni. In contrast, cluster growth is suppressed in solid solution alloys owing to the limited mobility of large vacancy clusters. Finally, the differences in cluster sizes and mobilities in Ni and in solid solution alloys are consistent with the results from ion irradiation experiments.« less

Impedance/thermally stimulated depolarization current and microstructural relations at interfaces in degraded perovskite dielectrics

NASA Astrophysics Data System (ADS)

Liu, Wei-En

In this work, a detailed investigation of electrical degradation has been performed on a model perovskite dielectric, Fe-doped SrTiO3 in both single and polycrystalline forms. In the single crystals, three different types of relaxation process were identified by TSDC, namely dipolar orientation of Fe'Ti-VÖ complexes, trap charges of FexTi-VÖ , and ionic space charge with the mobile VÖ . The energetics and concentrations of these are monitored as a function of the degradation process. Furthermore, IS is used to model the mechanisms that are spatially redistributed owning to the migration of VÖ towards the cathodic region of the crystal. Through modeling all the complex impedance Z*, modulus M*, admittance Y* and capacitance C*, an equivalent circuit model can be developed and key contributors to the IS can be identified. From this it is considered that the cathodic region changes to a conduction mechanism that is both band electron and polaron controlled. The major change during the degradation is to the polaron conduction pathways. Due to the nature of low polaron hopping mobility in this model system, the conductivity from both conductions become comparable providing that the calculated polaron concentration is around 5 order greater than that of band electron. The spatial dimension of the distributed conduction mechanisms is also modeled through the I.S. analysis. Excellent agreement is obtained between the IS data and the EELS data, where ≈30 microm of conducting region is developed at the cathode, and a corresponding high oxygen vacancy concentration on the order of 10 19/cm3 is obtained after degradation. Other than those relaxation mechanisms identified in the Fe-doped SrTiO 3 single crystal system, an extra relaxation mechanism was found in the polycrystalline systems and was attributed to the relaxation of oxygen vacancies across grain boundaries. Using the initial rise method of TSDC, the activation energies estimated for the relaxation of defect dipoles, the in-grain oxygen vacancies pile up at grain boundaries, and relaxation of oxygen vacancies across grain boundaries are 0.73+/-0.03, 0.86+/-0.07, and 1.1+/-0.09 eV, respectively. An ionic demixing model is applied to account for the evolution of TSDC spectra and to explain changes to the leakage behavior of the degraded samples. In the case of the polycrystalline system, it is suggested that a strong degradation to the insulation resistance occurs when oxygen vacancies migrate across grain boundaries and start to pile up at the cathode region of metallic electrodes. Prior to that point, the vacancies accumulate at partial blocking grain boundaries in each of the crystallites. For the TSDC studies in Ni-BaTiO3 MLCCs, besides two pyroelectric peaks released from the ferroelectric core and shell phase regions, an additional two peaks above the core Curie temperature were ascribed to the relaxation of two types of oxygen vacancy motions, in grain and across grain boundary oxygen vacancy transportation. Activation energies calculated for in grain and across grain boundary oxygen vacancy peaks are 1.06+/-0.05 and 1.24+/-0.08 eV, respectively. Another important multi-layer capacitive device is the so-called COG capacitor. In designing COG capacitors, high field break down properties are required at elevated temperatures above 85°C. A source of the electrical breakdown could be the depopulation of trapped charge. Therefore the trapped charge energies and concentrations in COG capacitors were investigated. The capacitor's MnO content was found to strongly influence the trapped charge concentration as measured by TSDC. TSDC to electrolytic capacitors was also demonstrated. It is shown that TSDC technique can be a powerful tool to understand underlying defect properties which are not manifested in traditional electrical measurements such as I-V measurement. Electrolytic capacitors based on tantalum oxide are often limited in their performance at high fields and high temperatures due to trapped charges. It is known that leakage is often controlled by Poole-Frankel conduction mechanisms in Ta2O5 electrolytic capacitors. It is determined through I-V measurements that the leakage current indeed follows the Poole-Frenkel conduction characteristic under high field. A parallel TSDC study also confirms at high field and high temperature trapped charge phenomenon. Through the use of TSDC, a new high voltage Poole--Frenkel mechanism at highest field range, >64V, in this study was discovered. It is concluded that TSDC is one of best techniques for capacitor characterization, and recommended other TSDC methods that could be extended to enhance our understanding of structure-property-processing relations in capacitor characterization. (Abstract shortened by UMI.)

Vacancy-type defects in Mg-doped GaN grown by ammonia-based molecular beam epitaxy probed using a monoenergetic positron beam

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

Uedono, Akira; Malinverni, Marco; Martin, Denis

Vacancy-type defects in Mg-doped GaN were probed using a monoenergetic positron beam. GaN films with a thickness of 0.5–0.7 μm were grown on GaN/sapphire templates using ammonia-based molecular beam epitaxy and characterized by measuring Doppler broadening spectra. Although no vacancies were detected in samples with a Mg concentration [Mg] below 7 × 10{sup 19 }cm{sup −3}, vacancy-type defects were introduced starting at above [Mg] = 1 × 10{sup 20 }cm{sup −3}. The major defect species was identified as a complex between Ga vacancy (V{sub Ga}) and multiple nitrogen vacancies (V{sub N}s). The introduction of vacancy complexes was found to correlate with a decreasemore » in the net acceptor concentration, suggesting that the defect introduction is closely related to the carrier compensation. We also investigated Mg-doped GaN layers grown using In as the surfactant. The formation of vacancy complexes was suppressed in the subsurface region (≤80 nm). The observed depth distribution of defects was attributed to the thermal instability of the defects, which resulted in the introduction of vacancy complexes during the deposition process.« less

Point defect induced segregation of alloying solutes in α-Fe

NASA Astrophysics Data System (ADS)

You, Yu-Wei; Zhang, Yange; Li, Xiangyan; Xu, Yichun; Liu, C. S.; Chen, J. L.; Luo, G.-N.

2016-10-01

Segregation of alloying solute toward clusters and precipitates can result in hardening and embrittlement of ferritic and ferritic/martensitic steels in aging nuclear power plants. Thus, it is essential to study the segregation of solute in α-Fe. In this study, the segregation of eight kinds of alloying solutes (Al, Si, P, S, Ga, Ge, As, Se) in defect-free system and at vacancy, divacancy, and self-interstitial atom in α-Fe has been systematically studied by first-principles calculations. We find that it is energetically favorable for multiple solute S or Se atoms to segregate in defect-free system to form solute clusters, whereas it is very difficult for the other solute atoms to form the similar clusters. With the presence of vacancy and divacancy, the segregation of all the solutes are significantly promoted to form vacancy-solute and divacancy-solute clusters. The divacancy-solute cluster is more stable than the vacancy-solute cluster. The most-stable self-interstitial atom 〈110〉 dumbbell is also found to tightly bind with multiple solute atoms. The 〈110〉-S is even more stable than divacancy-S cluster. Meanwhile, the law of mass action is employed to predict the concentration evolution of vacancy-Si, vacancy-P, and vacancy-S clusters versus temperature and vacancy concentration.

Carboxyl-functionalized nanoparticles with magnetic core and mesopore carbon shell as adsorbents for the removal of heavy metal ions from aqueous solution.

PubMed

Wang, Hui; Yu, Yi-Fei; Chen, Qian-Wang; Cheng, Kai

2011-01-21

This communication demonstrates superparamagnetic nanosized particles with a magnetic core and a porous carbon shell (thickness of 11 nm), which can remove 97% of Pb(2+) ions from an acidic aqueous solution at a Pb(2+) ion concentration of 100 mg L(-1). It is suggested that a weak electrostatic force of attraction between the heavy metal ions and the nanoparticles and the heavy metal ions adsorption on the mesopore carbon shell contribute most to the superior removal property.

Effects of carbon dioxide on juveniles of the freshwater mussel (Lampsilis siliquoidea [Unionidae])

USGS Publications Warehouse

Waller, Diane L.; Bartsch, Michelle; Fredricks, Kim; Bartsch, Lynn; Schleis, Sue M.; Lee, Sheldon

2017-01-01

Carbon dioxide (CO2) has shown promise as a tool to control movements of invasive Asian carp, but its effects on native freshwater biota have not been well studied. The authors evaluated lethal and sublethal responses of juvenile fatmucket (Lampsilis siliquoidea) mussels to CO2 at levels (43–269 mg/L, mean concentration) that bracket concentrations effective for deterring carp movement. The 28-d lethal concentration to 50% of the mussels was 87.0 mg/L (95% confidence interval [CI] 78.4–95.9) and at 16-d postexposure, 76.0 mg/L (95% CI 62.9–90.3). A proportional hazards regression model predicted that juveniles could not survive CO2 concentrations >160 mg/L for more than 2 wk or >100 mg/L CO2 for more than 30 d. Mean shell growth was significantly lower for mussels that survived CO2 treatments. Growth during the postexposure period did not differ among treatments, indicating recovery of the mussels. Also, CO2 caused shell pitting and erosion. Behavioral effects of CO2 included movement of mussels to the substrate surface and narcotization at the highest concentrations. Mussels in the 110 mg/L mean CO2treatment had the most movements in the first 3 d of exposure. If CO2 is infused continuously as a fish deterrent, concentrations <76 mg/L are recommended to prevent juvenile mussel mortality and shell damage. Mussels may survive and recover from brief exposure to higher concentrations.

Systematic study of the physical origin of ferromagnetism in CeO2 -δ nanoparticles

NASA Astrophysics Data System (ADS)

Ribeiro, A. N.; Ferreira, N. S.

2017-04-01

We have carried out a Schrieffer-Wolff transformation on a general tight-binding Hamiltonian and obtained a 4 f -one-band effective Hubbard Hamiltonian to study the physical origin of ferromagnetism in CeO2 -δ nanoparticle systems. For a low temperature regime and low concentrations of oxygen vacancies, isolated vacancies have previously been showed to form on the {100 } and {110 } surfaces and our studies indicate these will be in singlet and triplet states, respectively. This is sustained by a superexchange interaction between the 4 f electrons of the two cerium atoms, which are the nearest neighbors of the vacancy, and ferromagnetism and antiferromagnetism can coexist. Moreover, increasing the vacancy concentration we found that pairs of vacancies, which have been previously shown to form on the {111 } surfaces, produce Nagaoka ferromagnetism and isolated vacancies in the bulk produce an antiferromagnetic sign. Furthermore, further oxygen vacancy increases are previously known to favor the formation of oxygen vacancy clusters. In this case, our results showed a weakening of the magnetic correlations with respect to temperature. Thus, at a fixed temperature, the magnetic moment is reduced when the concentration of vacancies is increased, which is in agreement with experimental results reported in the literature. Interestingly, at a room-temperature regime, the antiferromagnetic order is destroyed and only the ferromagnetic couplings, produced mainly by isolated vacancies on the {110 } surfaces, survive. Finally, as temperature is increased further, the paramagnetic behavior of 4 f electrons dominates.

All the catalytic active sites of MoS 2 for hydrogen evolution

DOE PAGES

Li, Guoqing; Zhang, Du; Qiao, Qiao; ...

2016-11-29

MoS 2 presents a promising low-cost catalyst for the hydrogen evolution reaction (HER), but the understanding about its active sites has remained limited. Here we present an unambiguous study of the catalytic activities of all possible reaction sites of MoS 2, including edge sites, sulfur vacancies, and grain boundaries. We demonstrate that, in addition to the well-known catalytically active edge sites, sulfur vacancies provide another major active site for the HER, while the catalytic activity of grain boundaries is much weaker. Here, the intrinsic turnover frequencies (Tafel slopes) of the edge sites, sulfur vacancies, and grain boundaries are estimated tomore » be 7.5 s –1 (65–75 mV/dec), 3.2 s –1 (65–85 mV/dec), and 0.1 s –1 (120–160 mV/dec), respectively. We also demonstrate that the catalytic activity of sulfur vacancies strongly depends on the density of the vacancies and the local crystalline structure in proximity to the vacancies. Unlike edge sites, whose catalytic activity linearly depends on the length, sulfur vacancies show optimal catalytic activities when the vacancy density is in the range of 7–10%, and the number of sulfur vacancies in high crystalline quality MoS 2 is higher than that in low crystalline quality MoS 2, which may be related with the proximity of different local crystalline structures to the vacancies.« less

Iron vacancy in tetragonal Fe1-xS crystals and its effect on the structure and superconductivity.

PubMed

Guo, Zhongnan; Sun, Fun; Han, Bingling; Lin, Kun; Zhou, Liang; Yuan, Wenxia

2017-03-29

Understanding the effects of non-stoichiometry on the structure and physical properties of tetragonal Fe chalcogenides is of great importance, especially for developing fascinating superconductivity in this system, which might be very sensitive to the non-stoichiometry. In this study, a series of Fe 1-x S single crystals were synthesized by a hydrothermal method, which show varying concentrations of Fe vacancies (0 ≤ x ≤ 0.1) in the structure. Based on the crystal samples, the effects of vacancies on the crystal structure and physical properties were studied. The vacancy-free sample (x = 0) showed a metallic state in resistance and superconductivity below 4.5 K, whereas for the samples with Fe vacancies (x ≥ 0.05), the SC was degraded and the sample exhibited semiconducting behavior. Structural analysis showed that the Fe vacancy decreases the lattice parameter a, but elongates c, leading to enhanced tetragonality in Fe 1-x S. Selected-area electron diffraction showed that the vacancy in Fe 1-x S was disordered, which is different from the scenario in FeSe-based materials. On combining the abovementioned results with the first-principles calculations, it was speculated that the disappearance of SC in non-stoichiometric Fe 1-x S resulted from the localization of the 3d electrons of Fe. Moreover, the accompanied metal-insulator transition induced by Fe vacancy mainly belonged to the Mott mechanism because the vacancy did not significantly alter the band structure. These results not only provide deep insight into the effect of Fe vacancy in Fe chalcogenides, but also provide a basis to effectively induce SC in Fe sulfides by decreasing the number of Fe vacancies.

78 FR 14779 - Application to Export Electric Energy; Shell Energy North America (US), L.P.

Federal Register 2010, 2011, 2012, 2013, 2014

2013-03-07

... DEPARTMENT OF ENERGY [OE Docket No. EA-339-A] Application to Export Electric Energy; Shell Energy... its authority to transmit electric energy from the United States to Canada pursuant to section 202(e... transmit electric energy from the United States to Canada as a power marketer for a five-year term using...

78 FR 14778 - Application to Export Electric Energy; Shell Energy North America (US), L.P.

Federal Register 2010, 2011, 2012, 2013, 2014

2013-03-07

... DEPARTMENT OF ENERGY [OE Docket No. EA-338-A] Application to Export Electric Energy; Shell Energy... its authority to transmit electric energy from the United States to Mexico pursuant to section 202(e... transmit electric energy from the United States to Mexico as a power marketer for a five-year term using...

Modeling X-Ray Photoionized Plasmas: Ion Storage Ring Measurements of Low Temperature Dielectronic Recombination Rate Coefficients for L-Shell Iron

NASA Technical Reports Server (NTRS)

Savin, D. W.; Badnell, N. R.; Bartsch, T.; Brandau, C.; Chen, M. H.; Grieser, M.; Gwinner, G.; Hoffknecht, A.; Kahn, S. M.; Linkemann, J.

2000-01-01

Iron L-shell ions (Fe XVII to Fe XXIV) play an important role in determining the line emission and thermal and ionization structures of photoionized gases. Existing uncertainties in the theoretical low temperature dielectronic recombination (DR) rate coefficients for these ions significantly affects our ability to model and interpret observations of photoionized plasmas. To help address this issue, we have initiated a laboratory program to produce reliable low temperature DR rates. Here, we present some of our recent results and discuss some of their astrophysical implications.

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

Sokaras, D.; Andrianis, M.; Lagoyannis, A.

The cascade L-shell x-ray emission as an incident polarized and unpolarized monochromatic radiation overpass the 1s ionization threshold is investigated for the metallic Fe by means of moderate resolution, quantitative x-ray spectrometry. A full ab initio theoretical investigation of the L-shell x-ray emission processes is performed based on a detailed straightforward construction of the cascade decay trees within the Pauli-Fock approximation. The agreement obtained between experiments and the presented theory is indicated and discussed with respect to the accuracy of advanced atomic models as well as its significance for the characterization capabilities of x-ray fluorescence (XRF) analysis.