Quantum confinement-induced tunable exciton states in graphene oxide

PubMed Central

Lee, Dongwook; Seo, Jiwon; Zhu, Xi; Lee, Jiyoul; Shin, Hyeon-Jin; Cole, Jacqueline M.; Shin, Taeho; Lee, Jaichan; Lee, Hangil; Su, Haibin

2013-01-01

Graphene oxide has recently been considered to be a potential replacement for cadmium-based quantum dots due to its expected high fluorescence. Although previously reported, the origin of the luminescence in graphene oxide is still controversial. Here, we report the presence of core/valence excitons in graphene-based materials, a basic ingredient for optical devices, induced by quantum confinement. Electron confinement in the unreacted graphitic regions of graphene oxide was probed by high resolution X-ray absorption near edge structure spectroscopy and first-principles calculations. Using experiments and simulations, we were able to tune the core/valence exciton energy by manipulating the size of graphitic regions through the degree of oxidation. The binding energy of an exciton in highly oxidized graphene oxide is similar to that in organic electroluminescent materials. These results open the possibility of graphene oxide-based optoelectronic device technology. PMID:23872608

Unusual behavior in magnesium-copper cluster matter produced by helium droplet mediated deposition

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

Emery, S. B., E-mail: samuel.emery@navy.mil; Little, B. K.; Air Force Research Laboratory, Munitions Directorate, 2306 Perimeter Rd., Eglin AFB, Florida 32542

2015-02-28

We demonstrate the ability to produce core-shell nanoclusters of materials that typically undergo intermetallic reactions using helium droplet mediated deposition. Composite structures of magnesium and copper were produced by sequential condensation of metal vapors inside the 0.4 K helium droplet baths and then gently deposited onto a substrate for analysis. Upon deposition, the individual clusters, with diameters ∼5 nm, form a cluster material which was subsequently characterized using scanning and transmission electron microscopies. Results of this analysis reveal the following about the deposited cluster material: it is in the un-alloyed chemical state, it maintains a stable core-shell 5 nm structuremore » at sub-monolayer quantities, and it aggregates into unreacted structures of ∼75 nm during further deposition. Surprisingly, high angle annular dark field scanning transmission electron microscopy images revealed that the copper appears to displace the magnesium at the core of the composite cluster despite magnesium being the initially condensed species within the droplet. This phenomenon was studied further using preliminary density functional theory which revealed that copper atoms, when added sequentially to magnesium clusters, penetrate into the magnesium cores.« less

Microstructural study of brass matrix internal tin multifilamentary Nb3Sn superconductors

NASA Astrophysics Data System (ADS)

Banno, Nobuya; Miyamoto, Yasuo; Tachikawa, Kyoji

2018-03-01

Zn addition to the Cu matrix in internal-tin-processed Nb3Sn superconductors is attractive in terms of the growth kinetics of the Nb3Sn layers. Sn activity is enhanced in the Cu-Zn (brass) matrix, which accelerates Nb3Sn layer formation. Here, we prepared multifilamentary wires using a brass matrix with a Nb core diameter of less than 10 μm and investigated the potential for further Jc improvement through microstructural and microchemical studies. Ti was added into the Sn cores in the precursor wire. Microchemical analysis showed that Ti accumulates between subelements consisting of Nb cores, which blocks Sn diffusion through this region when the spacing between the subelements in the precursor wire is a few microns. The average grain size was found to be about 230 nm through image analysis. To date, matrix Jc values of 1470 and 640 A/mm-2 have been obtained at 12 and 16 T, respectively. The area fraction of Nb cores in the filamentary region of the precursor wire was about 36.3%. There was still some unreacted Nb core area after heat treatment. Insufficient Ti diffusion into the Nb3Sn layers was identified in the outer subelements. These findings suggest that there is still room for improvement in Jc.

Hydrothermal replacement of calcite by Mg-carbonates

NASA Astrophysics Data System (ADS)

Jonas, Laura; Mueller, Thomas; Dohmen, Ralf

2014-05-01

The transport of heat and mass through the Earth's crust is coupled to mineral reactions and the exchange of isotopes and elements between different phases. Carbonate minerals are a major constituent of the Earth's crust and play an important role in different physical, chemical and even biological processes. In this experimental study, the element exchange reaction between calcite (CaCO3) and a Mg-rich fluid phase is investigated under hydrothermal conditions. Single crystals of calcite (2x2x2 mm) react with 1 ml of a 1 M MgCl2 solution at 200° C in a Teflon-lined steel autoclave for different times between one day and four weeks. The reaction leads to the formation of a porous reaction front and the pseudomorphic replacement of calcite by dolomite [CaMg(CO3)2] and magnesite (MgCO3). Scanning electron microscopy revealed that the reaction rim consists of small Mg-carbonate rhombs closely attached to each other, suggesting that the replacement reaction takes place by a dissolution-precipitation mechanism. Typically, the observed reaction front can be divided into two different domains. The outer part of the reaction rim, i.e. from the mineral surface in contact to the fluid inwards, consists of magnesite, whereas the inner part of the rim surrounding the unreacted calcite core consists of Ca-rich dolomite. The formation of a porous microstructure that varies in different parts of the reaction rim is a direct result of the large molar volume change induced by the replacement of calcite by magnesite and dolomite. The developing porosity therefore creates fluid pathways that promote the progress of the reaction front towards the unreacted core of the single crystal. Compositional profiles measured perpendicular to the mineral surface across the reactions rims using electron microprobe (EMPA) further revealed a compositional gradient within the reaction rim with regard to the structure-forming elements Mg and Ca. Here, the amount of Mg incorporated in both product phases increases with increasing distance from the unreacted calcite core, countered by a decrease of Ca incorporated. Both the coexistence of two different product phases and the distinct compositional gradient within the forming reaction rim are unequivocal signs of a chemical zonation of Ca and Mg in the fluid phase which mediates the element exchange between the reaction interface and the bulk solution. Atomic adsorption spectroscopy revealed that the Ca/Mg ratio in the reacted fluid increases as a function of time, reflecting the progressive exchange of Mg and Ca between the fluid and the solid phase. The time-dependence of the evolving Ca/Mg ratio can be fitted with a square root of time relation that indicates a transport controlled reaction. We interpret the hydrothermal replacement of calcite to operate via a dissolution/re-precipitation mechanism, whereas the reaction progress is controlled by the transport of the structure forming elements through the developing reaction rim.

Cytotoxicity of Light-Cured Dental Materials according to Different Sample Preparation Methods

PubMed Central

Lee, Myung-Jin; Kim, Mi-Joo; Kwon, Jae-Sung; Lee, Sang-Bae; Kim, Kwang-Mahn

2017-01-01

Dental light-cured resins can undergo different degrees of polymerization when applied in vivo. When polymerization is incomplete, toxic monomers may be released into the oral cavity. The present study assessed the cytotoxicity of different materials, using sample preparation methods that mirror clinical conditions. Composite and bonding resins were used and divided into four groups according to sample preparation method: uncured; directly cured samples, which were cured after being placed on solidified agar; post-cured samples were polymerized before being placed on agar; and “removed unreacted layer” samples had their oxygen-inhibition layer removed after polymerization. Cytotoxicity was evaluated using an agar diffusion test, MTT assay, and confocal microscopy. Uncured samples were the most cytotoxic, while removed unreacted layer samples were the least cytotoxic (p < 0.05). In the MTT assay, cell viability increased significantly in every group as the concentration of the extracts decreased (p < 0.05). Extracts from post-cured and removed unreacted layer samples of bonding resin were less toxic than post-cured and removed unreacted layer samples of composite resin. Removal of the oxygen-inhibition layer resulted in the lowest cytotoxicity. Clinicians should remove unreacted monomers on the resin surface immediately after restoring teeth with light-curing resin to improve the restoration biocompatibility. PMID:28772647

The carbene insertion methodology for the catalytic functionalization of unreactive hydrocarbons: no classical C-H activation, but efficient C-H functionalization.

PubMed

Díaz-Requejo, M Mar; Belderrain, Tomás R; Nicasio, M Carmen; Pérez, Pedro J

2006-12-21

This contribution intends to highlight the use of the metal-catalyzed functionalization of unreactive carbon-hydrogen bonds by the carbene insertion methodology, that employs diazo compounds as the carbene source.

Subnanosecond measurements of detonation fronts in solid high explosives

NASA Astrophysics Data System (ADS)

Sheffield, S. A.; Bloomquist, D. D.; Tarver, C. M.

1984-04-01

Detonation fronts in solid high explosives have been examined through measurements of particle velocity histories resulting from the interaction of a detonation wave with a thin metal foil backed by a water window. Using a high time resolution velocity-interferometer system, experiments were conducted on three explosives—a TATB (1,3,5-triamino-trinitrobenzene)-based explosive called PBX-9502, TNT (2,4,6-Trinitrotoluene), and CP (2-{5-cyanotetrazolato} pentaamminecobalt {III} perchlorate). In all cases, detonation-front rise times were found to be less than the 300 ps resolution of the interferometer system. The thermodynamic state in the front of the detonation wave was estimated to be near the unreacted state determined from an extrapolation of low-pressure unreacted Hugoniot data for both TNT and PBX-9502 explosives. Computer calculations based on an ignition and growth model of a Zeldovich-von Neumann-Doering (ZND) detonation wave show good agreement with the measurements. By using the unreacted Hugoniot and a JWL equation of state for the reaction products, we estimated the initial reaction rate in the high explosive after the detonation wave front interacted with the foil to be 40 μs-1 for CP, 60 μs-1 for TNT, and 80 μs-1 for PBX-9502. The shape of the profiles indicates the reaction rate decreases as reaction proceeds.

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

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

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

1998-07-01

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

Method for the electro-addressable functionalization of electrode arrays

DOEpatents

Harper, Jason C.; Polsky, Ronen; Dirk, Shawn M.; Wheeler, David R.; Arango, Dulce C.; Brozik, Susan M.

2015-12-15

A method for preparing an electrochemical biosensor uses bias-assisted assembly of unreactive -onium molecules on an electrode array followed by post-assembly electro-addressable conversion of the unreactive group to a chemical or biological recognition group. Electro-addressable functionalization of electrode arrays enables the multi-target electrochemical sensing of biological and chemical analytes.

Chlorination Kinetics of Titanium Nitride for Production of Titanium Tetrachloride from Nitrided Ilmenite

NASA Astrophysics Data System (ADS)

Ahmadi, Eltefat; Rezan, Sheikh Abdul; Baharun, Norlia; Ramakrishnan, Sivakumar; Fauzi, Ahmad; Zhang, Guangqing

2017-10-01

The kinetics of chlorination of titanium nitride (TiN) was investigated in the temperature range of 523 K to 673 K (250 °C to 400 °C). The results showed that the extent of chlorination slightly increased with increasing temperature and decreasing particle size of titanium nitride at constant flow rate of N2-Cl2 gas mixture. At 523 K (250 °C), the extent of chlorination was 85.6 pct in 60 minutes whereas at 673 K (400 °C), it was 97.7 pct investigated by weight loss measurement and confirmed by ICP analyses. The experimental results indicated that a shrinking unreacted core model with mixed-control mechanism governed the chlorination rate. It was observed that the surface chemical reaction of chlorine gas on the surface of TiN particles was rate controlling in the initial stage and, during later stage, internal (pore) diffusion through the intermediate product layer was rate controlling step. Overall the process follows the mixed-control model incorporating both chemical reaction and internal diffusion control. The activation energy for the chlorination of TiN was found to be about 10.97 kJ mol-1. In processing TiCl4 from TiN and TiO0.02C0.13N0.85, the solids involved in the chlorination process were characterized by X-ray diffraction (XRD), Scanning electron microscopy (SEM) and Energy-dispersive X-ray spectrometer (EDX). The SEM/EDX results demonstrated the consumption of TiN particles with extent of chlorination that showed shrinking core behavior.

Isothermal reduction kinetics and mineral phase of chromium-bearing vanadium-titanium sinter reduced with CO gas at 873-1273 K

NASA Astrophysics Data System (ADS)

Yang, Song-tao; Zhou, Mi; Jiang, Tao; Xue, Xiang-xin

2018-02-01

Reduction of chromium-bearing vanadium-titanium sinter (CVTS) was studied under simulated conditions of a blast furnace, and thermodynamics and kinetics were theoretically analyzed. Reduction kinetics of CVTS at different temperatures was evaluated using a shrinking unreacted core model. The microstructure, mineral phase, and variation of the sinter during reduction were observed by X-ray diffraction, scanning electron microscopy, and metallographic microscopy. Results indicate that porosity of CVTS increased with temperature. Meanwhile, the reduction degree of the sinter improved with the reduction rate. Reduction of the sinter was controlled by a chemical reaction at the initial stage and inner diffusion at the final stage. Activation energies measured 29.22-99.69 kJ/mol. Phase transformations in CVTS reduction are as follows: Fe2O3→Fe3O4→FeO→Fe; Fe2TiO5→Fe2TiO4→FeTiO3; FeO·V2O3→V2O3; FeO·Cr2O3→Cr2O3.

Shock initiation and detonation properties of bisfluorodinitroethyl formal (FEFO)

NASA Astrophysics Data System (ADS)

Gibson, L. L.; Sheffield, S. A.; Dattelbaum, Dana M.; Stahl, David B.

2012-03-01

FEFO is a liquid explosive with a density of 1.60 g/cm3 and an energy output similar to that of trinitrotoluene (TNT), making it one of the more energetic liquid explosives. Here we describe shock initiation experiments that were conducted using a two-stage gas gun using magnetic gauges to measure the wave profiles during a shock-to-detonation transition. Unreacted Hugoniot data, time-to detonation (overtake) measurements, and reactive wave profiles were obtained from each experiment. FEFO was found to initiate by the homogeneous initiation model, similar to all other liquid explosives we have studied (nitromethane, isopropyl nitrate, hydrogen peroxide). The new unreacted Hugoniot points agree well with other published data. A universal liquid Hugoniot estimation slightly under predicts the measured Hugoniot data. FEFO is very insensitive, with about the same shock sensitivity as the triamino-trinitro-benzene (TATB)-based explosive PBX9502 and cast TNT.

Numerical study for flame deflector design of a space launch vehicle

NASA Astrophysics Data System (ADS)

Oh, Hwayoung; Lee, Jungil; Um, Hyungsik; Huh, Hwanil

2017-04-01

A flame deflector is a structure that prevents damage to a launch vehicle and a launch pad due to exhaust plumes of a lifting-off launch vehicle. The shape of a flame deflector should be designed to restrain the discharged gas from backdraft inside the deflector and to reflect the impact to the surrounding environment and the engine characteristics of the vehicle. This study presents the five preliminary flame deflector configurations which are designed for the first-stage rocket engine of the Korea Space Launch Vehicle-II and surroundings of the Naro space center. The gas discharge patterns of the designed flame deflectors are investigated using the 3D flow field analysis by assuming that the air, in place of the exhaust gas, forms the plume. In addition, a multi-species unreacted flow model is investigated through 2D analysis of the first-stage engine of the KSLV-II. The results indicate that the closest Mach number and temperature distributions to the reacted flow model can be achieved from the 4-species unreacted flow model which employs H2O, CO2, and CO and specific heat-corrected plume.

Reactivity of CF(n) (n = 1-3) Radicals with a Silica Surface

NASA Technical Reports Server (NTRS)

Ricca, Alessandra

1999-01-01

The trends in reactivity of CF(n) radicals with SiO2 and the site selectivity of the attack are studied using two different cluster models. The reaction barriers for the most energetically favorable reaction are computed. It is shown that CF(n) radicals are fairly unreactive towards SiO2.

Numerical predictions of shock propagation through unreactive and reactive liquids with experimental validation

NASA Astrophysics Data System (ADS)

Stekovic, Svjetlana; Nissen, Erin; Bhowmick, Mithun; Stewart, Donald S.; Dlott, Dana D.

2017-06-01

The objective of this work is to numerically analyze shock behavior as it propagates through compressed, unreactive and reactive liquid, such as liquid water and liquid nitromethane. Parameters, such as pressure and density, are analyzed using the Mie-Gruneisen EOS and each multi-material system is modeled using the ALE3D software. The motivation for this study is based on provided high-resolution, optical interferometer (PDV) and optical pyrometer measurements. In the experimental set-up, a liquid is placed between an Al 1100 plate and Pyrex BK-7 glass. A laser-driven Al 1100 flyer impacts the plate, causing the liquid to be highly compressed. The numerical model investigates the influence of the high pressure, shock-compressed behavior in each liquid, the energy transfer, and the wave impedance at the interface of each material in contact. The numerical results using ALE3D will be validated by experimental data. This work aims to provide further understanding of shock-compressed behavior and how the shock influences phase transition in each liquid.

A study on the dissolution rates of K-Cr(VI)-jarosites: kinetic analysis and implications.

PubMed

Reyes, Iván A; Mireles, Ister; Patiño, Francisco; Pandiyan, Thangarasu; Flores, Mizraim U; Palacios, Elia G; Gutiérrez, Emmanuel J; Reyes, Martín

2016-01-01

The presence of natural and industrial jarosite type-compounds in the environment could have important implications in the mobility of potentially toxic elements such as lead, mercury, arsenic, chromium, among others. Understanding the dissolution reactions of jarosite-type compounds is notably important for an environmental assessment (for water and soil), since some of these elements could either return to the environment or work as temporary deposits of these species, thus would reduce their immediate environmental impact. This work reports the effects of temperature, pH, particle diameter and Cr(VI) content on the initial dissolution rates of K-Cr(VI)-jarosites (KFe3[(SO4)2 - X(CrO4)X](OH)6). Temperature (T) was the variable with the strongest effect, followed by pH in acid/alkaline medium (H3O(+)/OH(-)). It was found that the substitution of CrO4 (2-)in Y-site and the substitution of H3O(+) in M-site do not modify the dissolution rates. The model that describes the dissolution process is the unreacted core kinetic model, with the chemical reaction on the unreacted core surface. The dissolution in acid medium was congruent, while in alkaline media was incongruent. In both reaction media, there is a release of K(+), SO4 (2-) and CrO4 (2-) from the KFe3[(SO4)2 - X(CrO4)X](OH)6 structure, although the latter is rapidly absorbed by the solid residues of Fe(OH)3 in alkaline medium dissolutions. The dissolution of KFe3[(SO4)2 - X(CrO4)X](OH)6 exhibited good stability in a wide range of pH and T conditions corresponding to the calculated parameters of reaction order n, activation energy E A and dissolution rate constants for each kinetic stages of induction and progressive conversion. The kinetic analysis related to the reaction orders and calculated activation energies confirmed that extreme pH and T conditions are necessary to obtain considerably high dissolution rates. Extreme pH conditions (acidic or alkaline) cause the preferential release of K(+), SO4 (2-) and CrO4 (2-) from the KFe3[(SO4)2 - X(CrO4)X](OH)6 structure, although CrO4 (2-) is quickly adsorbed by Fe(OH)3 solid residues. The precipitation of phases such as KFe3[(SO4)2 - X(CrO4)X](OH)6, and the absorption of Cr(VI) after dissolution can play an important role as retention mechanisms of Cr(VI) in nature.

The reactivity of phenolic and non-phenolic residual kraft lignin model compounds with Mn(II)-peroxidase from Lentinula edodes.

PubMed

Crestini, C; D'Annibale, A; Sermanni, G G; Saladino, R

2000-02-01

Three phenolic model compounds representing bonding patterns of residual kraft lignin were incubated with manganese peroxidase from Lentinula edodes. Extensive degradation of all the phenolic models, mainly occurring via side-chain benzylic oxidation, was observed. Among the tested model compounds the diphenylmethane alpha-5 phenolic model was found to be the most reactive, yielding several products showing oxidation and fragmentation at the bridging position. The non-phenolic 5-5' biphenyl and 5-5' diphenylmethane models were found unreactive.

A high-resolution core-level photoemission study of the Au/4H-SiC(0001)-([Formula: see text]) interface.

PubMed

Stoltz, D; Stoltz, S E; Johansson, L S O

2007-07-04

We present a systematic study of different reconstructions obtained after deposition of Au on the [Formula: see text]-4H-SiC(0001) surface. For 1-2 monolayers (ML) Au and annealing temperature T(anneal)∼675 °C, a 3 × 3 reconstruction was observed. For 4 ML Au and T(anneal)∼650 °C, a [Formula: see text] reconstruction appeared, while 5 ML Au annealed at 700 °C reconstructed to give a [Formula: see text] pattern. From the Si 2p and Au 4f core-level components, we propose interface models, depending on the amount of Au on the surface and the annealing temperature. For 1-4 ML Au annealed at 650-675 °C, gold diffuses under the topmost Si into the SiC and forms a silicide. An additional Si component in our Si 2p spectra is related to the interface between the silicide and SiC. For 5 ML Au annealed at 700 °C, silicide is also formed at the surface, covering unreacted Au on top of the SiC substrate. The interface Si component is also observed in the Si 2p spectra of this surface. The key role in [Formula: see text]-4H-SiC(0001) interface formation is played by diffusion and the silicon-richness of the surface.

Alkaline decomposition of synthetic jarosite with arsenic

PubMed Central

2013-01-01

The widespread use of jarosite-type compounds to eliminate impurities in the hydrometallurgical industry is due to their capability to incorporate several elements into their structures. Some of these elements are of environmental importance (Pb2+, Cr6+, As5+, Cd2+, Hg2+). For the present paper, AsO43- was incorporated into the lattice of synthetic jarosite in order to carry out a reactivity study. Alkaline decomposition is characterized by removal of sulfate and potassium ions from the lattice and formation of a gel consisting of iron hydroxides with absorbed arsenate. Decomposition curves show an induction period followed by a conversion period. The induction period is independent of particle size and exponentially decreases with temperature. The conversion period is characterized by formation of a hydroxide halo that surrounds an unreacted jarosite core. During the conversion period in NaOH media for [OH-] > 8 × 10-3 mol L-1, the process showed a reaction order of 1.86, and an apparent activation energy of 60.3 kJ mol-1 was obtained. On the other hand, during the conversion period in Ca(OH)2 media for [OH-] > 1.90 × 10-2 mol L-1, the reaction order was 1.15, and an apparent activation energy of 74.4 kJ mol-1 was obtained. The results are consistent with the spherical particle model with decreasing core and chemical control. PMID:23566061

Deciphering Physical Versus Chemical Contributions to the Ionic Conductivity of Functionalized Poly(methacrylate)-Based Ionogel Electrolytes. Supporting Information

DTIC Science & Technology

2015-11-03

University, 4 Colby Street, Medford, MA 02155 Corresponding Author * Email: matthew.panzer@tufts.edu S2 FTIR Spectroscopy Fourier...transform infrared (FTIR) spectroscopy was used to determine the presence or absence of any unreacted monomer/cross-linker acrylate groups within the...with 2 wt% HOMPP). Three spectral positions that can be assigned to the unreacted acrylate groups are indicated by vertical dashed lines

Fabrication of a Mechanically Robust Carbon Nanofiber Foam

DTIC Science & Technology

2015-06-01

Erlenmeyer exhaust trap utilizing zeolite and permanganate . ........................ 11   Figure 9.   Early CFF experimental mold...containing zeolite and permanganate to dilute the exhaust gases and trap unreacted ethylene prior to their release. Figure 7. MKS mass flow...controller (model MKS 647a). Figure 8. Erlenmeyer exhaust trap utilizing zeolite and permanganate . 12 c. Gas Mixture A flow of pure compressed

Study on Al2O3 extraction from activated coal gangue under different calcination atmospheres

NASA Astrophysics Data System (ADS)

Dong, Ling; Liang, Xinxing; Song, Qiang; Gao, Gewu; Song, Lihua; Shu, Yuanfeng; Shu, Xinqian

2017-12-01

Coal gangue was calcinated under air, nitrogen, carbon dioxide, air-hydrogen, and hydrogen atmospheres. The effects of different calcination temperatures and atmospheres on the mineral composition of activated coal gangue were investigated by X-ray diffraction. Moreover, the acid leaching kinetics of aluminum oxide from coal gangue was investigated with sulfuric acid. It showed that the air atmosphere promoted kaolinite decomposition during coal gangue calcination. The hydrogen atmosphere promoted the activation and decomposition of kaolinite at reaction temperatures exceeding 650°C. The carbon dioxide atmosphere eliminated the influence of residual carbon on coal gangue. When the ratio of acid/coal gangue was 1.5 and reaction temperature was 650°C, the sulfuric acid leaching rate under air, air-hydrogen, carbon dioxide, hydrogen and nitrogen atmospheres were 93.66%, 90.90%, 84.06%, 81.91% and 77.54% respectively. The acid leaching reaction process conformed to unreacted shrinking core model of particle unchanged, and was controlled by the interfacial chemical reaction. The reaction kinetic equation for the leaching process was 1-(1-x)1/3=kt with an apparent activation energy of 48.97 kJ/mol.

First Principles Simulations of P-V-T Unreacted Equation of State of LLM-105

NASA Astrophysics Data System (ADS)

Manaa, Riad; Kuo, I.-Feng; Fried, Laurence

2015-03-01

Equations of states (EOS) of unreacted energetic materials extending to high-pressure and temperatures regimes are of particular interest since they provide fundamental information about the associated thermodynamic properties of these materials at extreme conditions. Very often, experimental and computational studies focus only on determining a pressure-volume relationship at ambient to moderate temperatures. Adding elevated temperature data to construct a P-V-T EOS is highly desirable to extend the range of materials properties. Atomic scale molecular dynamics simulations are particularly suited for such a construct since EOSs are the manifestation of the underlying atomic interactions. In this work, we report dispersion-corrected density functional theoretical calculations of unreacted equation of state (EOS) of the energetic material 2,6-diamino-3, 5-dinitropyrazine-1-oxide (LLM-105). We performed large-scale constant-volume and temperature molecular dynamics simulations for pressures ranging from ambient to 35 GPa, and temperatures ranging from 300 K to 1000 K. These calculations allowed us to construct an unreacted P-V-T EOS and obtain bulk modulus for each P-V isotherm. We also report the thermal expansion coefficient of LLM-105 in the temperature range of this study. This work performed under the auspices of the U.S. Department of Energy Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

Devolatilization Characteristics and Kinetic Analysis of Lump Coal from China COREX3000 Under High Temperature

NASA Astrophysics Data System (ADS)

Xu, Runsheng; Zhang, Jianliang; Wang, Guangwei; Zuo, Haibin; Liu, Zhengjian; Jiao, Kexin; Liu, Yanxiang; Li, Kejiang

2016-08-01

A devolatilization study of two lump coals used in China COREX3000 was carried out in a self-developed thermo-gravimetry at four temperature conditions [1173 K, 1273 K, 1373 K, and 1473 K (900 °C, 1000 °C, 1100 °C, and 1200 °C)] under N2. This study reveals that the working temperature has a strong impact on the devolatilization rate of the lump coal: the reaction rate increases with the increasing temperature. However, the temperature has little influence on the maximum mass loss. The conversion rate curve shows that the reaction rate of HY lump coal is higher than KG lump coal. The lump coals were analyzed by XRD, FTIR, and optical microscopy to explore the correlation between devolatilization rate and properties of lump coal. The results show that the higher reaction rate of HY lump coal attributes to its more active maceral components, less aromaticity and orientation degree of the crystallite, and more oxygenated functional groups. The random nucleation and nuclei growth model (RNGM), volume model (VM), and unreacted shrinking core model (URCM) were employed to describe the reaction behavior of lump coal. It was concluded from kinetics analysis that RNGM model was the best model for describing the devolatilization of lump coals. The apparent activation energies of isothermal devolatilization of HY lump coal and KG lump coal are 42.35 and 45.83 kJ/mol, respectively. This study has implications for the characteristics and mechanism modeling of devolatilization of lump coal in COREX gasifier.

Explosive response model evaluation using the explosive H6

NASA Astrophysics Data System (ADS)

Sutherland, Gerrit T.; Burns, Joseph

2000-04-01

Reactive rate model parameters for a two term Lee Tarver [simplified ignition and growth (SIG)] model were obtained for the explosive H6 from modified gap test data. These model was used to perform simulations of the underwater sensitivity test (UST) using the CTH hydrocode. Reaction was predicted in the simulations for the same water gaps that reaction was observed in the UST. The expansions observed for the UST samples were not simulated correctly, and this is attributed to the density equilibrium conditions imposed between unreacted and reacted components in CTH for the Lee-Tarver model.

Simple synthesis and characteristics of Mo/MoS2 inorganic fullerene-like and actinomorphic nanospheres with core shell structure

NASA Astrophysics Data System (ADS)

Chang, Lianxia; Yang, Haibin; Li, Jixue; Fu, Wuyou; Du, Yonghui; Du, Kai; Yu, Qingjiang; Xu, Jing; Li, Minghui

2006-08-01

High yields of Mo/MoS2 inorganic fullerene-like and actinomorphic nanospheres with a core-shell structure have been successfully synthesized by the one-step reaction of sulfur and molybdenum nanospheres under a hydrogen atmosphere, in which the Mo nanospheres were prepared by the wire electrical explosion method. The shell thickness of MoS2 is about 4-10 nm and exhibit an expansion of about 4.2-1% along the c-axis. Observed from high-resolution transmission electron microscopy images, unreacted molybdenum lying between the (002) layers of MoS2 contributes to the larger expansion besides the strain in the bent layer and the crystal defects; the preferred growth orientations for MoS2 on the surface of Mo have two directions under different annealing temperatures: parallel to the (110) plane of Mo, presenting an actinomorphic phase, and perpendicular or having certain angles to the (110) plane, showing a fullerene-like phase. The actinomorphic Mo/MoS2 can be used for catalysis and intercalation. The fullerene-like phase can be applied as a solid lubricant to enhance the structural rigidity and load bearing capacity of hollow MoS2. In addition, the core-shell nanospheres exhibit a little higher onset temperature and a narrow temperature range against oxidation with a weaker exothermic peak than conventional 2H-MoS2.

Converting a carbon preform object to a silicon carbide object

NASA Technical Reports Server (NTRS)

Levin, Harry (Inventor)

1990-01-01

A process for converting in depth a carbon or graphite preform object to a silicon carbide object, silicon carbide/silicon object, silicon carbide/carbon-core object, or a silicon carbide/silicon/carbon-core object, by contacting it with silicon liquid and vapor over various lengths of contact time in a reaction chamber. In the process, a stream comprised of a silicon-containing precursor material in gaseous phase below the decomposition temperature of said gas and a coreactant, carrier or diluent gas such as hydrogen is passed through a hole within a high emissivity, thin, insulating septum into the reaction chamber above the melting point of silicon. The thin septum has one face below the decomposition temperature of the gas and an opposite face exposed to the reaction chamber. Thus, the precursor gas is decomposed directly to silicon in the reaction chamber. Any stream of decomposition gas and any unreacted precursor gas from the reaction chamber is removed. A carbon or graphite preform object placed in the reaction chamber is contacted with the silicon. The carbon or graphite preform object is recovered from the reactor chamber after it has been converted to a desired silicon carbide, silicon and carbon composition.

Reduction of iron-bearing lunar minerals for the production of oxygen

NASA Technical Reports Server (NTRS)

Massieon, Charles; Cutler, Andrew; Shadman, Farhang

1992-01-01

The kinetics and mechanism of the reduction of simulants of the iron-bearing lunar minerals olivine ((Fe,Mg)2SiO4), pyroxene ((Fe,Mg,Ca)SiO3), and ilmenite (FeTiO3) are investigated, extending previous work with ilmenite. Fayalite is reduced by H2 at 1070 K to 1480 K. A layer of mixed silica glass and iron forms around an unreacted core. Reaction kinetics are influenced by permeation of hydrogen through this layer and a reaction step involving dissociated hydrogen. Reaction mechanisms are independent of Mg content. Augite, hypersthene, and hedenbergite are reduced in H2 at the same temperatures. The products are iron metal and lower iron silicates mixed throughout the mineral. Activation energy rises with calcium content. Ilmenite and fayalite are reduced with carbon deposited on partially reduced minerals via the CO disproportionation reaction. Reduction with carbon is rapid, showing the carbothermal reduction of lunar minerals is possible.

Identifying passivated dynamic force microscopy tips on H:Si(100)

NASA Astrophysics Data System (ADS)

Sharp, Peter; Jarvis, Sam; Woolley, Richard; Sweetman, Adam; Kantorovich, Lev; Pakes, Chris; Moriarty, Philip

2012-06-01

The chemical reactivity of the tip plays a central role in image formation in dynamic force microscopy, but in very many cases the state of the probe is a key experimental unknown. We show here that an H-terminated and thus chemically unreactive tip can be readily identified via characteristic imaging and spectroscopic (F(z)) signatures, including, in particular, contrast inversion, on hydrogen-passivated Si(100). We determine the tip apex termination by comparing site-specific difference force curves with the results of density functional theory, providing a clear protocol for the identification of chemically unreactive tips on silicon surfaces.

High-temperature experimental analogs of primitive meteoritic metal-sulfide-oxide assemblages

NASA Astrophysics Data System (ADS)

Schrader, Devin L.; Lauretta, Dante S.

2010-03-01

We studied the oxidation-sulfidation behavior of an Fe-based alloy containing 4.75 wt.% Ni, 0.99 wt.% Co, 0.89 wt.% Cr, and 0.66 wt.% P in H 2-H 2O-CO-CO 2-H 2S gas mixtures at 1000 °C. The samples were cooled at rates of ˜3000 °C/h, comparable to estimates of the conditions after a chondrule-formation event in the early Solar System. Gas compositions were monitored in real time by a quadrupole mass spectrometer residual gas analyzer. Linear rate constants associated with gas-phase adsorption were determined. Reaction products were analyzed by optical microscopy, wavelength-dispersive-spectroscopy X-ray elemental mapping, and electron probe microanalysis. Based on analysis of the Fe-Ni-S ternary phase diagram and the reaction products, the primary corrosion product is a liquid of composition 66.6 wt.% Fe, 3.5 wt.% Ni, 29.9 wt.% S, and minor amounts of P, Cr, and Co. Chromite (FeCr 2O 4) inclusions formed by oxidation and are present in the metal foil and at the outer boundary between the sulfide and experimental atmosphere. During cooling the liquid initially crystallizes into taenite (average composition ˜15 wt.% Ni), monosulfide solid solution [mss, (Fe,Ni,Co,Cr) 1-xS], and Fe-phosphates. Upon further cooling, kamacite exsolves from this metal, enriching the taenite in Ni. The remnant metal core is enriched in P and Co and depleted in Cr at the reaction interface, relative to the starting composition. The unreacted metal core composition remains unchanged, suggesting the reactions did not reach equilibrium. We present a detailed model of reaction mechanisms based on the observed kinetics and sample morphologies, and discuss meteoritic analogs in the CR chondrite MacAlpine Hills 87320.

Numerical Analysis on Effect of Areal Gas Distribution Pipe on Characteristics Inside COREX Shaft Furnace

NASA Astrophysics Data System (ADS)

Wu, Shengli; Du, Kaiping; Xu, Jian; Shen, Wei; Kou, Mingyin; Zhang, Zhekai

2014-07-01

In recent years, two parallel pipes of areal gas distribution (AGD) were installed into the COREX shaft furnace to improve the furnace efficiency. A three-dimensional mathematical model at steady state, which takes a modified three-interface unreacted core model into consideration, is developed in the current work to describe the effect of the AGD pipe on the inner characteristics of shaft furnace. The accuracy of the model is evaluated using the plant operational data. The AGD pipe effectively improves the uniformity of reducing gas distribution, which leads to an increase in gas temperature and concentration of CO or H2 around the AGD pipe, and hence it further contributes to the iron oxide reduction. As a result, the top gas utilization rate and the solid metallization rate (MR) at the bottom outlet are increased by 0.015 and 0.11, respectively. In addition, the optimizations of the flow volume ratio (FVR) of the reducing gas fed through the AGD inlet and the AGD pipe arrangement are further discussed based on the gas flow distribution and the solid MR. Despite the relative suitability of the current FVR (60%), it is still meaningful to enable a manual adjustment of FVR, instead of having it driven by pressure difference, to solve certain production problems. On the other hand, considering the flatter distribution of gas flow, the higher solid MR, and easy installation and replacement, the cross distribution arrangement of AGD pipe with a length of 3 m is recommended to replace the current AGD pipe arrangement.

In Vitro Cytocompatibility of One- and Two-Dimensional Nanostructure-Reinforced Biodegradable Polymeric Nanocomposites

PubMed Central

Farshid, Behzad; Lalwani, Gaurav; Sitharaman, Balaji

2015-01-01

This study investigates the in vitro cytocompatibility of one- and two-dimensional (1-D and 2-D) carbon and inorganic nanomaterial reinforced polymeric nanocomposites fabricated using biodegradable polymer poly (propylene fumarate), crosslinking agent N-vinyl pyrrolidone (NVP) and following nanomaterials: single- and multi- walled carbon nanotubes, single- and multi- walled graphene oxide nanoribbons, graphene oxide nanoplatelets, molybdenum disulfide nanoplatelets, or tungsten disulfide nanotubes dispersed between 0.02–0.2 wt% concentrations in the polymer. The extraction media of unreacted components, crosslinked nanocomposites and their degradation products between 1X-100X dilutions were examined for effects on viability and attachment employing two cell lines: NIH3T3 fibroblasts and MC3T3 pre-osteoblasts. The extraction media of unreacted PPF/NVP elicited acute dose-dependent cytotoxicity attributed to leaching of unreacted components into cell culture media. However, extraction media of crosslinked nanocomposites showed no dose dependent adverse effects. Further, all crosslinked nanocomposites showed high viability (78–100%), high cellular attachment (40–55%), and spreading that was confirmed by confocal and scanning electron microscopy. Degradation products of nanocomposites showed a mild dose-dependent cytotoxicity possibly due to acidic degradation components of PPF. In general, compared to PPF control, none of the nanocomposites showed significant differences in cellular response to the unreacted components, crosslinked nanocomposites and their degradation products. The initial minor cytotoxic response and lower cell attachment numbers were observed only for a few nanocomposite groups; these effects were absent at later time points for all PPF nanocomposites. The favorable cytocompatibility results for all the nanocomposites opens avenues for in vivo safety and efficacy studies for bone tissue engineering applications. PMID:25367032

Continuous Purification of Colloidal Quantum Dots in Large-Scale Using Porous Electrodes in Flow Channel.

PubMed

Lim, Hosub; Woo, Ju Young; Lee, Doh C; Lee, Jinkee; Jeong, Sohee; Kim, Duckjong

2017-02-27

Colloidal quantum dots (QDs) afford huge potential in numerous applications owing to their excellent optical and electronic properties. After the synthesis of QDs, separating QDs from unreacted impurities in large scale is one of the biggest issues to achieve scalable and high performance optoelectronic applications. Thus far, however, continuous purification method, which is essential for mass production, has rarely been reported. In this study, we developed a new continuous purification process that is suitable to the mass production of high-quality QDs. As-synthesized QDs are driven by electrophoresis in a flow channel and captured by porous electrodes and finally separated from the unreacted impurities. Nuclear magnetic resonance and ultraviolet/visible/near-infrared absorption spectroscopic data clearly showed that the impurities were efficiently removed from QDs with the purification yield, defined as the ratio of the mass of purified QDs to that of QDs in the crude solution, up to 87%. Also, we could successfully predict the purification yield depending on purification conditions with a simple theoretical model. The proposed large-scale purification process could be an important cornerstone for the mass production and industrial use of high-quality QDs.

Continuous Purification of Colloidal Quantum Dots in Large-Scale Using Porous Electrodes in Flow Channel

NASA Astrophysics Data System (ADS)

Lim, Hosub; Woo, Ju Young; Lee, Doh Chang; Lee, Jinkee; Jeong, Sohee; Kim, Duckjong

2017-11-01

Colloidal Quantum dots (QDs) afford huge potential in numerous applications owing to their excellent optical and electronic properties. After the synthesis of QDs, separating QDs from unreacted impurities in large scale is one of the biggest issues to achieve scalable and high performance optoelectronic applications. Thus far, however, continuous purification method, which is essential for mass production, has rarely been reported. In this study, we developed a new continuous purification process that is suitable to the mass production of high-quality QDs. As-synthesized QDs are driven by electrophoresis in a flow channel and captured by porous electrodes and finally separated from the unreacted impurities. Nuclear magnetic resonance and ultraviolet/visible/near-infrared absorption spectroscopic data clearly showed that the impurities were efficiently removed from QDs with the purification yield, defined as the ratio of the mass of purified QDs to that of QDs in the crude solution, up to 87%. Also, we could successfully predict the purification yield depending on purification conditions with a simple theoretical model. The proposed large-scale purification process could be an important cornerstone for the mass production and industrial use of high-quality QDs.

Unimolecular diffusion-mediated reactions with a nonrandom time-modulated absorbing barrier

NASA Technical Reports Server (NTRS)

Bashford, D.; Weaver, D. L.

1986-01-01

A diffusion-reaction model with time-dependent reactivity is formulated and applied to unimolecular reactions. The model is solved exactly numerically and approximately analytically for the unreacted fraction as a function of time. It is shown that the approximate analytical solution is valid even when the system is far from equilibrium, and when the reactivity probability is more complicated than a square-wave function of time. A discussion is also given of an approach to problems of this type using a stochastically fluctuating reactivity, and the first-passage time for a particular example is derived.

Numerical optimization of Ignition and Growth reactive flow modeling for PAX2A

NASA Astrophysics Data System (ADS)

Baker, E. L.; Schimel, B.; Grantham, W. J.

1996-05-01

Variable metric nonlinear optimization has been successfully applied to the parameterization of unreacted and reacted products thermodynamic equations of state and reactive flow modeling of the HMX based high explosive PAX2A. The NLQPEB nonlinear optimization program has been recently coupled to the LLNL developed two-dimensional high rate continuum modeling programs DYNA2D and CALE. The resulting program has the ability to optimize initial modeling parameters. This new optimization capability was used to optimally parameterize the Ignition and Growth reactive flow model to experimental manganin gauge records. The optimization varied the Ignition and Growth reaction rate model parameters in order to minimize the difference between the calculated pressure histories and the experimental pressure histories.

Method for preparing radiopharmaceutical complexes

DOEpatents

Jones, Alun G.; Davison, Alan; Abrams, Michael J.

1989-05-02

A method for preparing radiopharmaceutical complexes that are substantially free of the reaction materials used to produce the radiopharmaceutical complex is disclosed. The method involves admixing in a suitable first solvent in a container a target seeking ligand or salt or metal adduct thereof, a radionuclide label, and a reducing agent for said radionuclide, thereby forming said radiopharmaceutical complex; coating the interior walls of the container with said pharmaceutical complex; discarding the solvent containing by-products and unreacted starting reaction materials; and removing the radiopharmaceutical complex from said walls by dissolving it in a second solvent, thereby obtaining said radiopharmaceutical complex substantially free of by-products and unreacted starting materials.

Method of burning sulfur-containing fuels in a fluidized bed boiler

DOEpatents

Jones, Brian C.

1982-01-01

A method of burning a sulfur-containing fuel in a fluidized bed of sulfur oxide sorbent wherein the overall utilization of sulfur oxide sorbent is increased by comminuting the bed drain solids to a smaller average particle size, preferably on the order of 50 microns, and reinjecting the comminuted bed drain solids into the bed. In comminuting the bed drain solids, particles of spent sulfur sorbent contained therein are fractured thereby exposing unreacted sorbent surface. Upon reinjecting the comminuted bed drain solids into the bed, the newly-exposed unreacted sorbent surface is available for sulfur oxide sorption, thereby increasing overall sorbent utilization.

Quantification of geopolymers production by chemical methods- A short review

NASA Astrophysics Data System (ADS)

Siyal, Ahmer Ali; Azizli, Khairun Azizi; Ismail, Lukman; Man, Zakaria; Khan, Muhammad Irfan

2015-07-01

Inorganic polymers are the aluminosilicate materials possessing properties superior than ordinary Portland cement. In this review paper the chemical techniques used for determining degree of reaction of fly ash or the quantity of geopolymer material produced have been discussed. These methods determine the amount of product formed in percentages. The methods include HCl method, salicylic acid method, and picric acid method. These methods are not only used for fly ash but they are being used for determining the degree of reactions of metakaolin and other pozzolanic materials. The picric acid is an explosive material and its transportation in high concentration is dangerous. During its use in laboratory there is also the risk of fire associated with it. According to the microscopic analysis results the picric acid attack dissolves small amount of fine unreacted fly ash particles also. The salicylic acid is easily available but the residue from its treatment contains unreacted fly ash particles, hydration phases, and certain parts of unreacted OPC. The residue from HCl and salicylic acid attack contains MgO particles which is the part of the hydration product. The HCl method is mostly used due to simple process and lower standard deviation.

Hyaluronic acid binding by human sperm indicates cellular maturity, viability, and unreacted acrosomal status.

PubMed

Huszar, Gabor; Ozenci, Ciler Celik; Cayli, Sevil; Zavaczki, Zoltan; Hansch, Eleonora; Vigue, Lynne

2003-06-01

To test, both in semen and washed-sperm fractions, whether hyaluronic acid (HA) binding is restricted to sperm that have completed cellular maturation. Comparisons of sperm in semen and in HA-bound sperm fractions. University-based diagnostic and research andrology laboratory. Semen samples originated in men being tested for infertility. The attributes of sperm maturity were tested by immunocytochemistry with creatine kinase and HspA2 antisera (highlights cytoplasmic retention in diminished-maturity sperm), aniline blue chromatin staining (detects persistent histones), pisum sativum lectin staining (reveals acrosomal integrity), and the FertiLight viability kit (highlights viable and nonviable sperm). All markers of sperm maturity and immaturity supported the hypothesis that HA-bound sperm are mature. Nonbinding sperm exhibited cytoplasmic and nuclear properties of diminished maturity. The acrosomal status of HA-bound sperm was either unreacted or slightly capacitated, but not acrosome reacted. Only viable sperm exhibited HA binding. Sperm that are able to bind to HA are mature and have completed the spermiogenetic processes of sperm plasma membrane remodeling, cytoplasmic extrusion, and nuclear histone-protamine replacement. Hyaluronic acid-bound sperm show unreacted acrosomes. These studies provide further insights into the relationship between spermiogenesis and sperm function.

Recent Advances in Modeling Hugoniots with Cheetah

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

Glaesemann, K R; Fried, L E

2005-07-26

We describe improvements to the Cheetah thermochemical-kinetics code's equilibrium solver to enable it to find a wider range of thermodynamic states. Cheetah supports a wide range of elements, condensed detonation products, and gas phase reactions. Therefore, Cheetah can be applied to a wide range of shock problems involving both energetic and non-energetic materials. An improve equation of state is also introduced. New experimental validations of Cheetah's equation of state methodology have been performed, including both reacted and unreacted Hugoniots.

Recent Advances in Modeling Hugoniots with Cheetah

NASA Astrophysics Data System (ADS)

Glaesemann, K. R.; Fried, L. E.

2006-07-01

We describe improvements to the Cheetah thermochemical-kinetics code's equilibrium solver to enable it to find a wider range of thermodynamic states. Cheetah supports a wide range of elements, condensed detonation products, and gas phase reactions. Therefore, Cheetah can be applied to a wide range of shock problems involving both energetic and non-energetic materials. An improve equation of state is also introduced. New experimental validations of Cheetah's equation of state methodology have been performed, including both reacted and unreacted Hugoniots.

The Green River natural analogue as a field laboratory to study the long-term fate of CO2 in the subsurface

NASA Astrophysics Data System (ADS)

Busch, Andreas; Kampman, Niko; Hangx, Suzanne; Bertier, Pieter; Bickle, Mike; Harrington, Jon

2015-04-01

Understanding the long-term response of CO2 injected into porous reservoirs is one of the most important aspects to demonstrate safe and permanent storage. At the same time this is one of the least understood aspects of CCS in general. The reasons are that 'long-term', in the sense of hundreds to thousands of years, is impractical from a laboratory and rather idealised from a reservoir modelling perspective. However understanding the coupled long-term hydro-chemical-mechanical response of a reservoir-seal pair following CO2 injection is highly desirable to improve confidence and trust from a regulator and societal perspective, as well as to improve risk assessment and risk reduction. In order to provide one building block to advance understanding of this subject, in July 2012 Shell recovered some 300m of core from a scientific drill hole through a natural CO2 field near Green River, Utah. This core transected two sandstone formations (Entrada and Navajo) and one intervening seal layer, composed of interbedded marine clay-/silt and sandstones (Carmel Fm.). Fluid samples and core material were taken adjacent to the Little Grand Wash Fault (LGW), along which CO2-charged fluids traverse from depth to the surface and which is believed to be the migration pathway for CO2 inflow into the reservoirs. In-situ pH, CO2 concentrations, and fluid element and isotope geochemistry were determined from wireline downhole sampling of pressurized fluids taken from the Navajo reservoirs. The fluid geochemistry provides important constraints on reservoir filling by flow of CO2 -charged brines through the LGW fault damage zone, macro-scale fluid flow in the reservoirs and the state of fluid-mineral thermodynamic disequilibrium, from which the nature of the fluid-mineral reactions can be interpreted. In addition to core samples, we obtained control samples from stratigraphically equivalent outcrop locations and drill holes that were not subject to alterations by CO2 -charged fluids and served as a direct comparison to the altered samples. We obtained geomechanical, mineralogical, geochemical and petrophysical laboratory data along the entire length of the core and from the control samples. Furthermore, we performed more detailed studies through portions of the caprock in direct contact with the CO2-charged reservoirs. This was done to constrain the nature and penetration depths of the CO2-promoted fluid-mineral reaction fronts. These reactions have taken place in the last ~100,000 years, which has been set as an upper limit for the onset of CO2 influx into the formations. This data has been used as input for reactive (transport) modeling. In addition, we compared geomechanical data from the CO2 -exposed core and the unreacted control samples to assess the mechanical stability of reservoir and seal rocks in a CO2 storage complex following mineral dissolution and precipitation for thousands of years.

Rhodium(III)-Catalyzed Activation of C(sp3)-H Bonds and Subsequent Intermolecular Amidation at Room Temperature.

PubMed

Huang, Xiaolei; Wang, Yan; Lan, Jingbo; You, Jingsong

2015-08-03

Disclosed herein is a Rh(III)-catalyzed chelation-assisted activation of unreactive C(sp3)-H bonds, thus enabling an intermolecular amidation to provide a practical and step-economic route to 2-(pyridin-2-yl)ethanamine derivatives. Substrates with other N-donor groups are also compatible with the amidation. This protocol proceeds at room temperature, has a relatively broad functional-group tolerance and high selectivity, and demonstrates the potential of rhodium(III) in the promotive functionalization of unreactive C(sp3)-H bonds. A rhodacycle having a SbF6(-) counterion was identified as a plausible intermediate. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Mechanical Properties and Microstructure of Class C Fly Ash-Based Geopolymer Paste and Mortar.

PubMed

Li, Xueying; Ma, Xinwei; Zhang, Shoujie; Zheng, Enzu

2013-04-09

This paper presents workability, compressive strength and microstructure for geopolymer pastes and mortars made of class C fly ash at mass ratios of water-to-fly ash from 0.30 to 0.35. Fluidity was in the range of 145-173 mm for pastes and 131-136 mm for mortars. The highest strengths of paste and mortar were 58 MPa and 85 MPa when they were cured at 70 °C for 24 h. In XRD patterns, unreacted quartz and some reacted product were observed. SEM examination indicated that reacted product has formed and covered the unreacted particles in the paste and mortar that were consistent with their high strength.

Effects of MgO on the Reduction of Vanadium Titanomagnetite Concentrates with Char

NASA Astrophysics Data System (ADS)

Chen, Chao; Sun, TiChang; Wang, XiaoPing; Hu, TianYang

2017-10-01

The effects of MgO on the carbothermic reduction behavior of vanadium titanomagnetite concentrates (VTC) from Chengde, China, were investigated via temperature-programmed heating under nitrogen atmosphere in a sealed furnace. Gaseous product content was measured by using an infrared gas analyzer, and it was found that the addition of MgO to VTC with char decreased the reduction rate and reduction degree, and the utilization of CO in VTC reduction was also reduced. X-ray diffraction results showed that magnesium titanate (Mg2TiO4) was formed but FeTi2O5 was not observed in the VTC reduction process by adding 6 wt.% MgO, which can be explained by thermodynamic analysis. Scanning electron microscopy revealed that the enrichment of Mg in the unreacted core was the main reason that the further reduction of VTC was restricted. However, comparatively pure particles of Mg2TiO4 were generated, and the titanium and iron were separated well due to the combination of magnesium and titanium.

CRADA Final Report for CRADA Number ORNL00-0605: Advanced Engine/Aftertreatment System R&D

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

Pihl, Josh A; West, Brian H; Toops, Todd J

2011-10-01

Navistar and ORNL established this CRADA to develop diesel engine aftertreatment configurations and control strategies that could meet emissions regulations while maintaining or improving vehicle efficiency. The early years of the project focused on reducing the fuel penalty associated with lean NOx trap (LNT), also known as NOx adsorber catalyst regeneration and desulfation. While Navistar pursued engine-based (in-cylinder) approaches to LNT regeneration, complementary experiments at ORNL focused on in-exhaust fuel injection. ORNL developed a PC-based controller for transient electronic control of EGR valve position, intake throttle position, and actuation of fuel injectors in the exhaust system of a Navistar enginemore » installed at Oak Ridge. Aftertreatment systems consisting of different diesel oxidation catalysts (DOCs) in conjunction with a diesel particle filter and LNT were evaluated under quasi-steady-state conditions. Hydrocarbon (HC) species were measured at multiple locations in the exhaust system with Gas chromatograph mass spectrometry (GC-MS) and Fourier transform infrared (FTIR) spectroscopy. Under full-load, rated speed conditions, injection of fuel upstream of the DOC reduced the fuel penalty for a given level of NOx reduction by 10-20%. GC-MS showed that fuel compounds were 'cracked' into smaller hydrocarbon species over the DOC, particularly light alkenes. GC-MS analysis of HC species entering and exiting the LNT showed high utilization of light alkenes, followed by mono-aromatics; branched alkanes passed through the LNT largely unreacted. Follow-on experiments at a 'road load' condition were conducted, revealing that the NOx reduction was better without the DOC at lower temperatures. The improved performance was attributed to the large swings in the NOx adsorber core temperature. Split-injection experiments were conducted with ultra-low sulfur diesel fuel and three pure HC compounds: 1-pentene, toluene, and iso-octane. The pure compound experiments confirmed the previous results regarding hydrocarbon reactivity: 1-pentene was the most efficient LNT reductant, followed by toluene. Injection location had minimal impact on the reactivity of these two compounds. Iso-octane was an ineffective LNT reductant, requiring high doses (resulting in high HC emissions) to achieve reasonable NOx conversions. Diesel fuel reactivity was sensitive to injection location, with the best performance achieved through fuel injection downstream of the DOC. This configuration generated large LNT temperature excursions, which probably improved the efficiency of the NOx storage/reduction process, but also resulted in very high HC emissions. The ORNL team demonstrated an LNT desulfation under 'road load' conditions using throttling, EGR, and in-pipe injection of diesel fuel. Flow reactor characterization of core samples cut from the front and rear of the engine-aged LNT revealed complex spatially dependent degradation mechanisms. The front of the catalyst contained residual sulfates, which impacted NOx storage and conversion efficiencies at high temperatures. The rear of the catalyst showed significant sintering of the washcoat and precious metal particles, resulting in lower NOx conversion efficiencies at low temperatures. Further flow reactor characterization of engine-aged LNT core samples established that low temperature performance was limited by slow release and reduction of stored NOx during regeneration. Carbon monoxide was only effective at regenerating the LNT at temperatures above 200 C; propene was unreactive even at 250 C. Low temperature operation also resulted in unselective NOx reduction, resulting in high emissions of both N{sub 2}O and NH{sub 3}. During the latter years of the CRADA, the focus was shifted from LNTs to other aftertreatment devices. Two years of the CRADA were spent developing detailed ammonia SCR device models with sufficient accuracy and computational efficiency to be used in development of model-based ammonia injection control algorithms.ORNL, working closely with partners at Navistar and Mi« less

Letter: Modeling reactive shock waves in heterogeneous solids at the continuum level with stochastic differential equations

NASA Astrophysics Data System (ADS)

Kittell, D. E.; Yarrington, C. D.; Lechman, J. B.; Baer, M. R.

2018-05-01

A new paradigm is introduced for modeling reactive shock waves in heterogeneous solids at the continuum level. Inspired by the probability density function methods from turbulent reactive flows, it is hypothesized that the unreacted material microstructures lead to a distribution of heat release rates from chemical reaction. Fluctuations in heat release, rather than velocity, are coupled to the reactive Euler equations which are then solved via the Riemann problem. A numerically efficient, one-dimensional hydrocode is used to demonstrate this new approach, and simulation results of a representative impact calculation (inert flyer into explosive target) are discussed.

Ultrafast shock compression of an oxygen-balanced mixture of nitromethane and hydrogen peroxide.

PubMed

Armstrong, Michael R; Zaug, Joseph M; Grant, Christian D; Crowhurst, Jonathan C; Bastea, Sorin

2014-08-14

We apply ultrafast optical interferometry to measure the Hugoniot of an oxygen-balanced mixture of nitromethane and hydrogen peroxide (NM/HP) and compare with Hugoniot data for pure nitromethane (NM) and a 90% hydrogen peroxide/water mixture (HP), as well as theoretical predictions. We observe a 2.1% percent mean pairwise difference between the measured shockwave speed (at the measured piston speed) in unreacted NM/HP and the corresponding "universal" liquid Hugoniot, which is larger than the average standard deviation of our data, 1.4%. Unlike the Hugoniots of both HP and NM, in which measured shock speeds deviate to values greater than the unreacted Hugoniot for piston speeds larger than the respective reaction thresholds, in the NM/HP mixture we observe shock speed deviations to values lower than the unreacted Hugoniot well below the von Neumann pressure (≈28 GPa). Although the trend should reverse for high enough piston speeds, the initial behavior is unexpected. Possible explanations range from mixing effects to a complex index of refraction in the reacted solution. If this is indeed a signature of chemical initiation, it would suggest that the process may not be kinetically limited (on a ~100 ps time scale) between the initiation threshold and the von Neumann pressure.

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

Wiegel, Aaron A.; Liu, Matthew J.; Hinsberg, William D.

Multiphase chemical reactions (gas + solid/liquid) involve a complex interplay between bulk and interface chemistry, diffusion, evaporation, and condensation. Reactions of atmospheric aerosols are an important example of this type of chemistry: the rich array of particle phase states and multiphase transformation pathways produce diverse but poorly understood interactions between chemistry and transport. Their chemistry is of intrinsic interest because of their role in controlling climate. Their characteristics also make them useful models for the study of principles of reactivity of condensed materials under confined conditions. Previously, we have reported a computational study of the oxidation chemistry of a liquidmore » aliphatic aerosol. In this study, we extend the calculations to investigate nearly the same reactions at a semisolid gas-aerosol interface. A reaction-diffusion model for heterogeneous oxidation of triacontane by hydroxyl radicals (OH) is described, and its predictions are compared to measurements of aerosol size and composition, which evolve continuously during oxidation. Our results are also explicitly compared to those obtained for the corresponding liquid system, squalane, to pinpoint salient elements controlling reactivity. The diffusive confinement of the free radical intermediates at the interface results in enhanced importance of a few specific chemical processes such as the involvement of aldehydes in fragmentation and evaporation, and a significant role of radical-radical reactions in product formation. The simulations show that under typical laboratory conditions semisolid aerosols have highly oxidized nanometer-scale interfaces that encapsulate an unreacted core and may confer distinct optical properties and enhanced hygroscopicity. This highly oxidized layer dynamically evolves with reaction, which we propose to result in plasticization. The validated model is used to predict chemistry under atmospheric conditions, where the OH radical concentration is much lower. The oxidation reactions are more strongly influenced by diffusion in the particle, resulting in a more liquid-like character.« less

Shock initiation studies of low density HMX using electromagnetic particle velocity and PVDF stress gauges

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

Sheffield, S.A.; Gustavsen, R.L.; Alcon, R.R.

1993-09-01

Magnetic particle velocity and PVDF stress rate gauges have been used to measure the shock response of low density octotetramethylene tetranitramine (HMX) (1.24 &/cm{sup 3}). In experiments done at LANL, magnetic particle velocity gauges were located on both sides of the explosive. In nearly identical experiments done at SNL, PVDF stress rate gauges were located at the same positions so both particle velocity and stress histories were obtained for a particular experimental condition. Unreacted Hugoniot data were obtained and an EOS was developed by combining methods used by Hayes, Sheffield and Mitchell (for describing the Hugoniot of HNS at variousmore » densities) with Hermann`s P-{alpha} model. Using this technique, it is only necessary to know some thermodynamic constants or the Hugoniot of the initially solid material and the porous material sound speed to obtain accurate unreacted Hugoniots for the porous explosive. Loading and reaction paths were established in the stress-particle velocity plane for some experimental conditions. This information was used to determine a global reaction rate of {approx} 0.13 {mu}s{sup {minus}1} for porous HMX shocked to 0.8 GPa. At low input stresses the transmitted wave profiles had long rise times (up to 1 {mu}s) due to the compaction processes.« less

Improved degree of conversion of model self-etching adhesives through their interaction with dentin

PubMed Central

Zhang, Ying; Wang, Yong

2011-01-01

Objective To investigate the correlation of the chemical interaction between model self-etching adhesives and dentin with the degree of conversion (DC) of the adhesives. Methods The model self-etching adhesives contained bis[2-methacryloyloxy)ethyl] phosphate (2MP) and 2-hydroxyethyl methacrylate (HEMA) with a mass ratio of 1/1, and 0-40% water contents, respectively. The adhesives were applied either onto the prepared dentin surface or unreactive substrates (such as glass slides), agitated for 15s, then light-cured for 40s. The DCs of the adhesives were determined using micro-Raman spectral and mapping analysis. Results The DCs of the adhesives cured on the dentin substrate were found to be significantly higher than those on the unreactive glass substrate. Moreover, the DCs of the adhesives displayed a decreasing trend as the distance from the dentin surface became greater. The chemical interaction of the acidic 2MP/HEMA adhesives with the mineral apatite in dentin was proposed to play a significant role for the observations. The chemical interaction could be validated by the spectral comparison in the phosphate regions of 1100 cm−1 and 960 cm−1 in the Raman spectra. The results also revealed a notable influence of water content on the DC of adhesives. The DCs of the adhesive at 10% water content exhibited the highest DC level for both substrates. Conclusions Interaction with dentin dramatically improved the degree of conversion of self-etching adhesives. Our ability to chemically characterize the a/d interface including in situ detection of the DC distribution is very important in understanding self-etching adhesive bonding under in vivo conditions. PMID:22024375

Improved degree of conversion of model self-etching adhesives through their interaction with dentine.

PubMed

Zhang, Ying; Wang, Yong

2012-01-01

To investigate the correlation of the chemical interaction between model self-etching adhesives and dentine with the degree of conversion (DC) of the adhesives. The model self-etching adhesives contained bis[2-methacryloyloxy)ethyl] phosphate (2MP) and 2-hydroxyethyl methacrylate (HEMA) with a mass ratio of 1/1, and 0-40% water contents, respectively. The adhesives were applied either onto the prepared dentine surface or unreactive substrates (such as glass slides), agitated for 15s, then light-cured for 40s. The DCs of the adhesives were determined using micro-Raman spectral and mapping analysis. The DCs of the adhesives cured on the dentine substrate were found to be significantly higher than those on the unreactive glass substrate. Moreover, the DCs of the adhesives displayed a decreasing trend as the distance from the dentine surface became greater. The chemical interaction of the acidic 2MP/HEMA adhesives with the mineral apatite in dentine was proposed to play a significant role for the observations. The chemical interaction could be validated by the spectral comparison in the phosphate regions of 1100 cm(-1) and 960 cm(-1) in the Raman spectra. The results also revealed a notable influence of water content on the DC of adhesives. The DCs of the adhesive at 10% water content exhibited the highest DC level for both substrates. Interaction with dentine dramatically improved the degree of conversion of self-etching adhesives. Our ability to chemically characterise the a/d interface including in situ detection of the DC distribution is very important in understanding self-etching adhesive bonding under in vivo conditions. Copyright © 2011 Elsevier Ltd. All rights reserved.

Theoretical prediction and experimental determination of the effect of mold characteristics on temperature and monomer conversion fraction profiles during polymerization of a PMMA-based bone cement.

PubMed

Vallo, Claudia I

2002-01-01

The present work is concerned with applications of a kinetic model for free-radical polymerization of a polymethylmethacrylate-based bone cement. Autocatalytic behavior at the first part of the reaction as well as a diffusion control phenomenon near vitrification are described by the model. Comparison of theoretical computations with experimental measurements for the temperature evolution during batch casting demonstrated the capacity of the proposed model to represent the kinetic behavior of the polymerization reaction. Temperature evolution and monomer conversion were simulated for the cure of the cement in molds made of different materials. The maximum monomer conversion fraction was markedly influenced by the physical properties of the mold material. The unreacted monomer acts as a plasticizer that influences the mechanical behavior of the cement. Hence, the same cement formulation cured in molds of different materials may result in different mechanical response because of the differences in the amounts of residual monomer. Standardization of the mold type to prepare specimens for the mechanical characterization of bone cements is recommended. Theoretical prediction of temperature evolution during hip replacement indicated that for cement thickness lower than 6 mm the peak temperature at the bone-cement interface was below the limit stated for thermal injury (50 degrees C for more than 1 min). The use of thin cement layers is recommended to diminish the risk of thermal injury; however, it is accompanied by an increase in the amount of unreacted monomer present in the cured material. Copyright 2002 Wiley Periodicals, Inc. J Biomed Mater Res (Appl Biomater) 63: 627-642, 2002

Purge gas protected transportable pressurized fuel cell modules and their operation in a power plant

DOEpatents

Zafred, P.R.; Dederer, J.T.; Gillett, J.E.; Basel, R.A.; Antenucci, A.B.

1996-11-12

A fuel cell generator apparatus and method of its operation involves: passing pressurized oxidant gas and pressurized fuel gas into modules containing fuel cells, where the modules are each enclosed by a module housing surrounded by an axially elongated pressure vessel, and where there is a purge gas volume between the module housing and pressure vessel; passing pressurized purge gas through the purge gas volume to dilute any unreacted fuel gas from the modules; and passing exhaust gas and circulated purge gas and any unreacted fuel gas out of the pressure vessel; where the fuel cell generator apparatus is transportable when the pressure vessel is horizontally disposed, providing a low center of gravity. 11 figs.

Mechanical Properties and Microstructure of Class C Fly Ash-Based Geopolymer Paste and Mortar

PubMed Central

Li, Xueying; Ma, Xinwei; Zhang, Shoujie; Zheng, Enzu

2013-01-01

This paper presents workability, compressive strength and microstructure for geopolymer pastes and mortars made of class C fly ash at mass ratios of water-to-fly ash from 0.30 to 0.35. Fluidity was in the range of 145–173 mm for pastes and 131–136 mm for mortars. The highest strengths of paste and mortar were 58 MPa and 85 MPa when they were cured at 70 °C for 24 h. In XRD patterns, unreacted quartz and some reacted product were observed. SEM examination indicated that reacted product has formed and covered the unreacted particles in the paste and mortar that were consistent with their high strength. PMID:28809222

An FTIR investigation of isocyanate skin absorption using in vitro guinea pig skin.

PubMed

Bello, Dhimiter; Smith, Thomas J; Woskie, Susan R; Streicher, Robert P; Boeniger, Mark F; Redlich, Carrie A; Liu, Youcheng

2006-05-01

Isocyanates may cause contact dermatitis, sensitization and asthma. Dermal exposure to aliphatic and aromatic isocyanates can occur in various exposure settings. The fate of isocyanates on skin is an important unanswered question. Do they react and bind to the outer layer of skin or do they penetrate through the epidermis as unreacted compounds? Knowing the kinetics of these processes is important in developing dermal exposure sampling or decontamination strategies, as well as understanding potential health implications such exposure may have. In this paper the residence time of model isocyanates on hairless guinea pig skin was investigated in vitro using attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectrometry. Model isocyanates tested were octyl isocyanate, polymeric hexamethylene diisocyanate isocyanurate (pHDI), polymeric isophorone diisocyanate isocyanurate (pIPDI) and methylenediphenyl diisocyanate (MDI). Isocyanates in ethyl acetate (30 microL) were spiked directly on the skin to give 0.2-1.8 micromol NCO cm(-2) (NCO = -N=C=O), and absorbance of the isocyanate group and other chemical groups of the molecule were monitored over time. The ATR-FTIR findings showed that polymeric isocyanates pHDI and pIPDI may remain on the skin as unreacted species for many hours, with only 15-20% of the total isocyanate group disappearing in one hour, while smaller compounds octyl isocyanate and MDI rapidly disappear from the skin surface (80+% in 30 min). Isocyanates most likely leave the skin surface by diffusion predominantly, with minimal reaction with surface proteins. The significance of these findings and their implications for dermal exposure sampling and isocyanate skin decontamination are discussed.

Estimation of incremental reactivities for multiple day scenarios: an application to ethane and dimethyoxymethane

NASA Astrophysics Data System (ADS)

Stockwell, William R.; Geiger, Harald; Becker, Karl H.

Single-day scenarios are used to calculate incremental reactivities by definition (Carter, J. Air Waste Management Assoc. 44 (1994) 881-899.) but even unreactive organic compounds may have a non-negligible effect on ozone concentrations if multiple-day scenarios are considered. The concentration of unreactive compounds and their products may build up over a multiple-day period and the oxidation products may be highly reactive or highly unreactive affecting the overall incremental reactivity of the organic compound. We have developed a method for calculating incremental reactivities for multiple days based on a standard scenario for polluted European conditions. This method was used to estimate maximum incremental reactivities (MIR) and maximum ozone incremental reactivities (MOIR) for ethane and dimethyoxymethane for scenarios ranging from 1 to 6 days. It was found that the incremental reactivities increased as the length of the simulation period increased. The MIR of ethane increased faster than the value for dimethyoxymethane as the scenarios became longer. The MOIRs of ethane and dimethyoxymethane increased but the change was more modest for scenarios longer than 3 days. MOIRs of both volatile organic compounds were equal within the uncertainties of their chemical mechanisms by the 5 day scenario. These results show that dimethyoxymethane has an ozone forming potential on a per mass basis that is only somewhat greater than ethane if multiple-day scenarios are considered.

Visualization of deflagration-to-detonation transitions in a channel with repeated obstacles using a hydrogen-oxygen mixture

NASA Astrophysics Data System (ADS)

Maeda, S.; Minami, S.; Okamoto, D.; Obara, T.

2016-09-01

The deflagration-to-detonation transition in a 100 mm square cross-section channel was investigated for a highly reactive stoichiometric hydrogen oxygen mixture at 70 kPa. Obstacles of 5 mm width and 5, 10, and 15 mm heights were equally spaced 60 mm apart at the bottom of the channel. The phenomenon was investigated primarily by time-resolved schlieren visualization from two orthogonal directions using a high-speed video camera. The detonation transition occurred over a remarkably short distance within only three or four repeated obstacles. The global flame speed just before the detonation transition was well below the sound speed of the combustion products and did not reach the sound speed of the initial unreacted gas for tests with an obstacle height of 5 and 10 mm. These results indicate that a detonation transition does not always require global flame acceleration beyond the speed of sound for highly reactive combustible mixtures. A possible mechanism for this detonation initiation was the mixing of the unreacted and reacted gas in the vicinity of the flame front convoluted by the vortex present behind each obstacle, and the formation of a hot spot by the shock wave. The final onset of the detonation originated from the unreacted gas pocket, which was surrounded by the obstacle downstream face and the channel wall.

Alteration of rhyolite in CO{sub 2} charged water at 200 and 350{degree}C: The unreactivity of CO{sub 2} at higher temperature

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

Bischoff, J.L.; Rosenbauer, R.J.

1996-10-01

Geochemical and hydrologic modeling indicates that geothermal waters in the T > 270{degrees}C reservoirs beneath Yellowstone National Park have HCO{sub 3} {much_lt} Cl and contrast with waters in reservoirs at lower temperatures which attain HCO{sub 3} about equal to Cl. Experiments reacting rhyolite with 0.5 molal solutions of CO{sub 2} at 200{degrees} and 350{degrees}C were carried out to test the hypothesis of Fournier to explain the chemistry of these springs: that CO{sub 2} is relatively unreactive with volcanic rocks at temperatures >270{degrees}C. The experimental results strongly support this hypothesis. Extent of alteration is twenty-seven times greater at 200{degrees}C than atmore » 350{degrees}C. The dominant process in the experiments appears to be the alteration of the albitic component of the rhyolite by dissolved CO{sub 2} to form a kaolinite-like alteration product plus quartz: 2NaAlSi{sub 3}O{sub 8} + 2CO{sub 2} + 3H{sub 2}O = 2Na{sup +} + 2HCO{sub 3}{sup -} + Al{sub 2}Si{sub 2}O{sub 5}(OH){sub 4} + 4SiO{sub 2}. CO{sub 2} reacts with water to form H{sub 2}CO{sub 3} which dissociates to H{sup +} and HCO{sub 3}{sup -}, more so at lower temperatures. Kinetic and thermodynamic considerations suggest that the reactivity of H{sub 2}CO{sub 3} with wallrocks is at its maximum between 150{degrees} and 200{degrees}C, consuming most of the H{sup +} and liberating equivalent amounts of cations and bicarbonate. Wallrocks in higher temperature reservoirs are relatively unreactive to dissolved CO{sub 2} which is eventually lost from the system by boiling. These observations also offer a possible explanation for the change in chemical sediments from chloride-dominated to bicarbonate-dominated salts found in the stratigraphic section at Searles Lake, California, the terminus of the Owens River which derives its dissolved load from hot springs of the Long Valley caldera. 21 refs., 5 figs., 2 tabs.« less

Development of a ReaxFF reactive force field for ammonium nitrate and application to shock compression and thermal decomposition.

PubMed

Shan, Tzu-Ray; van Duin, Adri C T; Thompson, Aidan P

2014-02-27

We have developed a new ReaxFF reactive force field parametrization for ammonium nitrate. Starting with an existing nitramine/TATB ReaxFF parametrization, we optimized it to reproduce electronic structure calculations for dissociation barriers, heats of formation, and crystal structure properties of ammonium nitrate phases. We have used it to predict the isothermal pressure-volume curve and the unreacted principal Hugoniot states. The predicted isothermal pressure-volume curve for phase IV solid ammonium nitrate agreed with electronic structure calculations and experimental data within 10% error for the considered range of compression. The predicted unreacted principal Hugoniot states were approximately 17% stiffer than experimental measurements. We then simulated thermal decomposition during heating to 2500 K. Thermal decomposition pathways agreed with experimental findings.

Purge gas protected transportable pressurized fuel cell modules and their operation in a power plant

DOEpatents

Zafred, Paolo R.; Dederer, Jeffrey T.; Gillett, James E.; Basel, Richard A.; Antenucci, Annette B.

1996-01-01

A fuel cell generator apparatus and method of its operation involves: passing pressurized oxidant gas, (O) and pressurized fuel gas, (F), into fuel cell modules, (10 and 12), containing fuel cells, where the modules are each enclosed by a module housing (18), surrounded by an axially elongated pressure vessel (64), where there is a purge gas volume, (62), between the module housing and pressure vessel; passing pressurized purge gas, (P), through the purge gas volume, (62), to dilute any unreacted fuel gas from the modules; and passing exhaust gas, (82), and circulated purge gas and any unreacted fuel gas out of the pressure vessel; where the fuel cell generator apparatus is transpatable when the pressure vessel (64) is horizontally disposed, providing a low center of gravity.

Catalytic reactive separation system for energy-efficient production of cumene

DOEpatents

Buelna, Genoveva [Nuevo Laredo, MX; Nenoff, Tina M [Albuquerque, NM

2009-07-28

The present invention relates to an atmospheric pressure, reactive separation column packed with a solid acid zeolite catalyst for producing cumene from the reaction of benzene with propylene. Use of this un-pressurized column, where simultaneous reaction and partial separation occur during cumene production, allow separation of un-reacted, excess benzene from other products as they form. This high-yielding, energy-efficient system allows for one-step processing of cumene, with reduced need for product purification. Reacting propylene and benzene in the presence of beta zeolite catalysts generated a selectivity greater than 85% for catalytic separation reactions at a reaction temperature of 115 degrees C and at ambient pressure. Simultaneously, up to 76% of un-reacted benzene was separated from the product; which could be recycled back to the reactor for re-use.

40 CFR 420.91 - Specialized definitions.

Code of Federal Regulations, 2012 CFR

2012-07-01

... unreacted acid from spent pickling acid solutions. (h) The term acid regeneration means those hydrochloric... recovery or acid regeneration processes. (j) The term spent acid solution (or spent pickle liquor) means...

Modeling Ignition of HMX with the Gibbs Formulation

NASA Astrophysics Data System (ADS)

Lee, Kibaek; Stewart, D. Scott

2017-06-01

We present a HMX model with the Gibbs formulation in which stress tensor and temperature are assumed to be in local equilibrium, but phase/chemical changes are not assumed to be in equilibrium. We assume multi-components for HMX including beta- and delta-phase, liquid, and gas phase of HMX and its gas products. Isotropic small strain solid model, modified Fried Howard liquid EOS, and ideal gas EOS are used for its relevant component. Phase/chemical changes are characterized as reactions and are in individual reaction rate. Maxwell-Stefan model is used for diffusion. Excited gas products in the local domain lead unreacted HMX solid to the ignition event. Density of the mixture, stress, strain, displacement, mass fractions, and temperature are considered in 1D domain with time histories. Office of Naval Research and Air Force Office of Scientific Research.

[Immunolocalization of choline acetyltransferase in 2 types of efferent synapses of the organ of Corti].

PubMed

Eybalin, M; Pujol, R

1985-01-01

The efferent (olivo-cochlear) innervation of the organ of Corti was studied using a monoclonal antibody against choline acetyltransferase (ChAT). In the inner spiral bundle (ISB), below the inner hair cells (IHCs), the anti-ChAT immunoreactivity was observed within unvesiculated fibers and vesiculated varicosities. Unreactive varicosities, at least as numerous as the immunoreactive ones, were also detected. Both types of vesiculated varicosities synapsed with the dendrites of the primary auditory neurons (afferent fibers) connected to the IHCs. At the outer hair cell (OHC) level, nearly all the vesiculated terminals making axo-somatic synapses with the OHCs were anti-ChAT immunoreactive. Only few terminals synapsing with the OHCs were unreactive. These findings allowed the differentiation of at least three types of efferent synapses in the organ of Corti. In the ISB, a first population of axo-dendritic synapses seems to be cholinergic whereas a second population might use another neurotransmitter. At the OHC level, our results support the hypothesis that acetylcholine is the neurotransmitter of nearly all the large axo-somatic synapses. The rare unreactive axo-somatic synapses could constitute a fourth and minor type of efferent synapse. Thus, it would be helpful to subclassify the efferent innervations of the organ of Corti according to their neurochemical nature. A re-evaluation of the whole body of available electrophysiological data would be also necessary, as until now, acetylcholine was considered as being the only efferent cochlear neurotransmitter.

Hydration kinetics and morphology of cement pastes with pozzolanic volcanic ash studied via synchrotron-based techniques

DOE PAGES

Kupwade-Patil, Kunal; Chin, Stephanie; Ilavsky, Jan; ...

2017-10-13

Here, this study investigates the early ages of hydration behavior when basaltic volcanic ash was used as a partial substitute to ordinary Portland cement using ultra-small-angle X-ray scattering and wide-angle X-ray scattering (WAXS). The mix design consisted of 10, 30 and 50% substitution of Portland cement with two different-sized volcanic ashes. The data showed that substitution of volcanic ash above 30% results in excess unreacted volcanic ash, rather than additional pozzolanic reactions along longer length scales. WAXS studies revealed that addition of finely ground volcanic ash facilitated calcium-silicate-hydrate related phases, whereas inclusion of coarser volcanic ash caused domination by calcium-aluminum-silicate-hydratemore » and unreacted MgO phases, suggesting some volcanic ash remained unreacted throughout the hydration process. Addition of more than 30% volcanic ash leads to coarser morphology along with decreased surface area and higher intensity of scattering at early-age hydration. This suggests an abrupt dissolution indicated by changes in surface area due to the retarding gel formation that can have implication on early-age setting influencing the mechanical properties of the resulting cementitious matrix. The findings from this work show that the concentration of volcanic ash influences the specific surface area and morphology of hydration products during the early age of hydration. Therefore, natural pozzolanic volcanic ashes can be a viable substitute to Portland cement by providing environmental benefits in terms of lower-carbon footprint along with long-term durability.« less

Hydration kinetics and morphology of cement pastes with pozzolanic volcanic ash studied via synchrotron-based techniques

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

Kupwade-Patil, Kunal; Chin, Stephanie; Ilavsky, Jan

Here, this study investigates the early ages of hydration behavior when basaltic volcanic ash was used as a partial substitute to ordinary Portland cement using ultra-small-angle X-ray scattering and wide-angle X-ray scattering (WAXS). The mix design consisted of 10, 30 and 50% substitution of Portland cement with two different-sized volcanic ashes. The data showed that substitution of volcanic ash above 30% results in excess unreacted volcanic ash, rather than additional pozzolanic reactions along longer length scales. WAXS studies revealed that addition of finely ground volcanic ash facilitated calcium-silicate-hydrate related phases, whereas inclusion of coarser volcanic ash caused domination by calcium-aluminum-silicate-hydratemore » and unreacted MgO phases, suggesting some volcanic ash remained unreacted throughout the hydration process. Addition of more than 30% volcanic ash leads to coarser morphology along with decreased surface area and higher intensity of scattering at early-age hydration. This suggests an abrupt dissolution indicated by changes in surface area due to the retarding gel formation that can have implication on early-age setting influencing the mechanical properties of the resulting cementitious matrix. The findings from this work show that the concentration of volcanic ash influences the specific surface area and morphology of hydration products during the early age of hydration. Therefore, natural pozzolanic volcanic ashes can be a viable substitute to Portland cement by providing environmental benefits in terms of lower-carbon footprint along with long-term durability.« less

A Model for Dissolution of Lime in Steelmaking Slags

NASA Astrophysics Data System (ADS)

Sarkar, Rahul; Roy, Ushasi; Ghosh, Dinabandhu

2016-08-01

In a previous study by Sarkar et al. (Metall. Mater. Trans. B 46B:961 2015), a dynamic model of the LD steelmaking was developed. The prediction of the previous model (Sarkar et al. in Metall. Mater. Trans. B 46B:961 2015) for the bath (metal) composition matched well with the plant data (Cicutti et al. in Proceedings of 6th International Conference on Molten Slags, Fluxes and Salts, Stockholm City, 2000). However, with respect to the slag composition, the prediction was not satisfactory. The current study aims to improve upon the previous model Sarkar et al. (Metall. Mater. Trans. B 46B:961 2015) by incorporating a lime dissolution submodel into the earlier one. From the industrial point of view, the understanding of the lime dissolution kinetics is important to meet the ever-increasing demand of producing low-P steel at a low basicity. In the current study, three-step kinetics for the lime dissolution is hypothesized on the assumption that a solid layer of 2CaO·SiO2 should form around the unreacted core of the lime. From the available experimental data, it seems improbable that the observed kinetics should be controlled singly by any one kinetic step. Accordingly, a general, mixed control model has been proposed to calculate the dissolution rate of the lime under varying slag compositions and temperatures. First, the rate equation for each of the three rate-controlling steps has been derived, for three different lime geometries. Next, the rate equation for the mixed control kinetics has been derived and solved to find the dissolution rate. The model predictions have been validated by means of the experimental data available in the literature. In addition, the effects of the process conditions on the dissolution rate have been studied, and compared with the experimental results wherever possible. Incorporation of this submodel into the earlier global model (Sarkar et al. in Metall. Mater. Trans. B 46B:961 2015) enables the prediction of the lime dissolution rate in the dynamic system of LD steelmaking. In addition, with the inclusion of this submodel, significant improvement in the prediction of the slag composition during the main blow period has been observed.

Rapid analytical determination of glutaraldehyde concentrations

NASA Technical Reports Server (NTRS)

Frigerio, N. A.; Shaw, M. H.

1971-01-01

Technique utilizes the iodimetric procedure which adds unknown excess of bisulfite to glutaraldehyde /GA/ then titrates unreacted bisulfite with standard iodine isotope to determine GA concentrations. Technique may interest microscopists, food researchers, biochemical or medical laboratories, and drug manufacturers.

Chromite Ore from the Transvaal Region of South Africa

EPA Pesticide Factsheets

In 2001, EPA finalized a rule to to delete both chromite ore mined in the Transvaal Region of South Africa and the unreacted ore component of the chromite ore processing residue (COPR) from TRI reporting requirements.

Synthesis of perbromates

NASA Technical Reports Server (NTRS)

Appelman, E. H.; Studier, M. H.

1969-01-01

Salts of heptavalent bromine were synthesized by a hot atom process, the beta decay of radioactive selenium-83 incorporated into a selenate. Formation of an unreactive perbromate ion led to preparation of macro amounts of perborate. A rubidium salt was isolated.

Hugoniot curve calculation of nitromethane decomposition mixtures: A reactive force field molecular dynamics approach

NASA Astrophysics Data System (ADS)

Guo, Feng; Zhang, Hong; Hu, Hai-Quan; Cheng, Xin-Lu; Zhang, Li-Yan

2015-11-01

We investigate the Hugoniot curve, shock-particle velocity relations, and Chapman-Jouguet conditions of the hot dense system through molecular dynamics (MD) simulations. The detailed pathways from crystal nitromethane to reacted state by shock compression are simulated. The phase transition of N2 and CO mixture is found at about 10 GPa, and the main reason is that the dissociation of the C-O bond and the formation of C-C bond start at 10.0-11.0 GPa. The unreacted state simulations of nitromethane are consistent with shock Hugoniot data. The complete pathway from unreacted to reacted state is discussed. Through chemical species analysis, we find that the C-N bond breaking is the main event of the shock-induced nitromethane decomposition. Project supported by the National Natural Science Foundation of China (Grant No. 11374217) and the Shandong Provincial Natural Science Foundation, China (Grant No. ZR2014BQ008).

Unreacted equation of states of typical energetic materials under static compression: A review

NASA Astrophysics Data System (ADS)

Zhaoyang, Zheng; Jijun, Zhao

2016-07-01

The unreacted equation of state (EOS) of energetic materials is an important thermodynamic relationship to characterize their high pressure behaviors and has practical importance. The previous experimental and theoretical works on the equation of state of several energetic materials including nitromethane, 1,3,5-trinitrohexahydro-1,3,5-triazine (RDX), 1,3,5,7-tetranitro-1,3,5,7-tetrazacyclooctane (HMX), hexanitrostilbene (HNS), hexanitrohexaazaisowurtzitane (HNIW or CL-20), pentaerythritol tetranitrate (PETN), 2,6-diamino-3,5-dinitropyrazine-1-oxide (LLM-105), triamino-trinitrobenzene (TATB), 1,1-diamino-2,2-dinitroethene (DADNE or FOX-7), and trinitrotoluene (TNT) are reviewed in this paper. The EOS determined from hydrostatic and non-hydrostatic compressions are discussed and compared. The theoretical results based on ab initio calculations are summarized and compared with the experimental data. Project supported by the National Natural Science Foundation of China (Grant Nos. 11174045 and 11404050).

Further characterization of the circulating cell in chronic lymphocytic leukemia

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

Schutz, E.F.; Davis, S.; Rubin, A.D.

Peripheral lymphocytes from normal individuals and from patients with chronic lymphocytic leukemia (CLL) were cultured in vitro for 1-7 days. The growth response to phytohemagglutinin (PHA) was quantitated by the incorporation of tritiated uridine into RNA nucleotide during a 2-hr pulse with the radioisotope. While the maximum response in PHA-stimulated normal cultures appeared at 2-3 days, CLL cultures required 5-7 days to develop their maximal response, which was 50 percent-60 percent of the normal magnitude. Dilution of the number of normally reactive lymphocytes by culturing them with totally unreactive, mitomycin-treated cells produced a normal 72-hr maximal response, no matter whatmore » proportion of unreactive cells was included in the PHA-stimulated cultures. In addition, the response of peripheral lymphocytes from patients with myeloblastic leukemia, where large numbers of unreactive myeloblasts diluted the normal small lymphocytes, a depressed reaction occurred at the anticipated 2-3 days. Nylon fiber-adherent lymphocytes consisting of 85 percent immunoglobulin (Ig)-bearing cells responded minimally to PHA, but showed no evidence of a delay. When isolated from CLL patients, both fiber-adherent cells (ig-bearing) as well as non-fiber-adherent (sheep erythrocyte-rosetting) cells responded to PHA in a delayed fashion. Similarly, a case of CLL, in which 93.5 percent of the circulating lymphocytes bore sheep red blood cell receptors, showed its peak response to PHA at 7 days. Therefore, using surface marker criteria considered characteristic of normal T cells and B cells, the delayed response to PHA on the part of CLL lymphocytes was independent of thymic or nonthymic origin.« less

Diffusive confinement of free radical intermediates in the OH radical oxidation of semisolid aerosols

DOE PAGES

Wiegel, Aaron A.; Liu, Matthew J.; Hinsberg, William D.; ...

2017-02-07

Multiphase chemical reactions (gas + solid/liquid) involve a complex interplay between bulk and interface chemistry, diffusion, evaporation, and condensation. Reactions of atmospheric aerosols are an important example of this type of chemistry: the rich array of particle phase states and multiphase transformation pathways produce diverse but poorly understood interactions between chemistry and transport. Their chemistry is of intrinsic interest because of their role in controlling climate. Their characteristics also make them useful models for the study of principles of reactivity of condensed materials under confined conditions. Previously, we have reported a computational study of the oxidation chemistry of a liquidmore » aliphatic aerosol. In this study, we extend the calculations to investigate nearly the same reactions at a semisolid gas-aerosol interface. A reaction-diffusion model for heterogeneous oxidation of triacontane by hydroxyl radicals (OH) is described, and its predictions are compared to measurements of aerosol size and composition, which evolve continuously during oxidation. Our results are also explicitly compared to those obtained for the corresponding liquid system, squalane, to pinpoint salient elements controlling reactivity. The diffusive confinement of the free radical intermediates at the interface results in enhanced importance of a few specific chemical processes such as the involvement of aldehydes in fragmentation and evaporation, and a significant role of radical-radical reactions in product formation. The simulations show that under typical laboratory conditions semisolid aerosols have highly oxidized nanometer-scale interfaces that encapsulate an unreacted core and may confer distinct optical properties and enhanced hygroscopicity. This highly oxidized layer dynamically evolves with reaction, which we propose to result in plasticization. The validated model is used to predict chemistry under atmospheric conditions, where the OH radical concentration is much lower. The oxidation reactions are more strongly influenced by diffusion in the particle, resulting in a more liquid-like character.« less

Shock chemistry in SX358 foams

NASA Astrophysics Data System (ADS)

Maerzke, Katie; Coe, Joshua; Fredenburg, Anthony; Lang, John; Dattelbaum, Dana

2017-06-01

We have developed new equation of state models for SX358, a cross-linked PDMS polymer. Recent experiments on SX358 over a range of initial densities (0-65% porous) have yielded new data that allow for a more thorough calibration of the equations of state. SX358 chemically decomposes under shock compression, as evidenced by a cusp in the shock locus. We therefore treat this material using two equations of state, specifically a SESAME model for the unreacted material and a free energy minimization assuming full chemical and thermodynamic equilibrium for the decomposition products. The shock locus of porous SX358 is found to be ``anomalous'' in that the decomposition reaction causes a volume expansion, rather than a volume collapse. Similar behavior has been observed in other polymer foams, notably polyurethane.

Small Scale Characterization of the Presence of the Explosive Octahydro-1,3,5,7-tetranitro- 1,3,5,7 tetrazocine (HMX) Near Former Naval Sites on Vieques Island, Puerto Rico

NASA Astrophysics Data System (ADS)

Simmons, C. C.; Carvalho-Knighton, K. M.; Pyrtle, A. J.

2007-12-01

Octahydro-1,3,5,7-tetranitro-1,3,5,7 tetrazocine (HMX) is a synthetic energetic compounds that has been commonly used in military munitions. The presence and movement of HMX through the environment is of growing concern because of potential civilian exposure and impacts on human health. HMX remains in the environment unreactive with little degradation. It can be transported great distances in water thus having the possibility for migrating into groundwater. The former naval sites in Vieques were used for weapons training and housed several disposal sites. Previous studies around these sites indicate the presence of radioactive materials produced through thermal fission, such as Cs-137. Since HMX was primarily used to implode fissionable materials in nuclear devices, evaluating the release of HMX and consequent movement through the environment at these sites is essential. Surface water and soil samples as well as core and pore water samples were collected from two sites in Vieques; Kiani Lagoon and Mosquito Bay. All samples were extracted using EPA method 8330 and analyzed using RP-HPLC analysis with a C-18 column. HMX was undetected in samples collected from both Kiani Lagoon and Mosquito Bay. The development of a model that studies the flow rates and fate of water runoff in these areas of interest, coupled with data on groundwater testing inside the actual former naval facilities, is being explored for further sample collection and analysis.

40 CFR 161.153 - Definitions.

Code of Federal Regulations, 2012 CFR

2012-07-01

... ingredients with one or more other active or inert ingredients, without an intended chemical reaction, to... technical grade cannot be isolated) by chemical reaction. (k) Technical grade of active ingredient means a... unreacted starting materials, side reaction products, contaminants, and degradation products. (e) Impurity...

Modeling shock responses of plastic bonded explosives using material point method

NASA Astrophysics Data System (ADS)

Shang, Hailin; Zhao, Feng; Fu, Hua

2017-01-01

Shock responses of plastic bonded explosives are modeled using material point method as implemented in the Uintah Computational Framework. Two-dimensional simulation model was established based on the micrograph of PBX9501. Shock loading for the explosive was performed by a piston moving at a constant velocity. Unreactive simulation results indicate that under shock loading serious plastic strain appears on the boundary of HMX grains. Simultaneously, the plastic strain energy transforms to thermal energy, causing the temperature to rise rapidly on grain boundary areas. The influence of shock strength on the responses of explosive was also investigated by increasing the piston velocity. And the results show that with increasing shock strength, the distribution of plastic strain and temperature does not have significant changes, but their values increase obviously. Namely, the higher the shock strength is, the higher the temperature rise will be.

C-H carbonylation: In situ acyl triflates ace it

NASA Astrophysics Data System (ADS)

Lee, Yong Ho; Morandi, Bill

2018-02-01

A simple palladium catalyst has mediated the facile formation of aroyl triflates -- an extremely reactive class of electrophiles. These intermediates, generated in situ, enable the Friedel-Crafts acylation of traditionally unreactive arenes, addressing a significant gap in C-H carbonylation methodology.

Evaporite Caprock Integrity. An experimental study of reactive mineralogy and pore-scale heterogeneity during brine-CO 2 exposure

DOE PAGES

Smith, Megan M.; Sholokhova, Yelena; Hao, Yue; ...

2012-07-25

Characterization and geochemical data are presented from a core-flooding experiment on a sample from the Three Fingers evaporite unit forming the lower extent of caprock at the Weyburn-Midale reservoir, Canada. This low-permeability sample was characterized in detail using X-ray computed microtomography before and after exposure to CO 2-acidified brine, allowing mineral phase and voidspace distributions to be quantified in three dimensions. Solution chemistry indicated that CO 2-acidified brine preferentially dissolved dolomite until saturation was attained, while anhydrite remained unreactive. Dolomite dissolution contributed to increases in bulk permeability through the formation of a localized channel, guided by microfractures as well asmore » porosity and reactive phase distributions aligned with depositional bedding. An indirect effect of carbonate mineral reactivity with CO 2-acidified solution is voidspace generation through physical transport of anhydrite freed from the rock matrix following dissolution of dolomite. The development of high permeability fast pathways in this experiment highlights the role of carbonate content and potential fracture orientations in evaporite caprock formations considered for both geologic carbon sequestration and CO 2-enhanced oil recovery operations.« less

Simulation of the ozone pretreatment of wheat straw.

PubMed

Bhattarai, Sujala; Bottenus, Danny; Ivory, Cornelius F; Gao, Allan Haiming; Bule, Mahesh; Garcia-Perez, Manuel; Chen, Shulin

2015-11-01

Wheat straw is a potential feedstock in biorefinery for sugar production. However, the cellulose, which is the major source of sugar, is protected by lignin. Ozonolysis deconstructs the lignin and makes cellulose accessible to enzymatic digestion. In this study, the change in lignin concentration with different ozonolysis times (0, 1, 2, 3, 5, 7, 10, 15, 20, 30, 60min) was fit to two different kinetic models: one using the model developed by Garcia-Cubero et al. (2012) and another including an outer mass transfer barrier or "cuticle" region where ozone mass transport is reduced in proportion to the mass of unreacted insoluble lignin in the cuticle. The kinetic parameters of two mathematical models for predicting the soluble and insoluble lignin at different pretreatment time were determined. The results showed that parameters derived from the cuticle-based model provided a better fit to experimental results compared to a model without a cuticle layer. Copyright © 2015 Elsevier Ltd. All rights reserved.

Reactive flow model development for PBXW-126 using modern nonlinear optimization methods

NASA Astrophysics Data System (ADS)

Murphy, M. J.; Simpson, R. L.; Urtiew, P. A.; Souers, P. C.; Garcia, F.; Garza, R. G.

1996-05-01

The initiation and detonation behavior of PBXW-126 has been characterized and is described. PBXW-126 is a composite explosive consisting of approximately equal amounts of RDX, AP, AL, and NTO with a polyurethane binder. The three term ignition and growth of reaction model parameters (ignition+two growth terms) have been found using nonlinear optimization methods to determine the "best" set of model parameters. The ignition term treats the initiation of up to 0.5% of the RDX. The first growth term in the model treats the RDX growth of reaction up to 20% reacted. The second growth term treats the subsequent growth of reaction of the remaining AP/AL/NTO. The unreacted equation of state (EOS) was determined from the wave profiles of embedded gauge tests while the JWL product EOS was determined from cylinder expansion test results. The nonlinear optimization code, NLQPEB/GLO, was used to determine the "best" set of coefficients for the three term Lee-Tarver ignition and growth of reaction model.

Comparison of mineral weathering and biomass nutrient uptake in two small forested watersheds underlain by quartzite bedrock, Catoctin Mountain, Maryland, USA

USGS Publications Warehouse

Rice, Karen; Price, Jason R.

2014-01-01

To quantify chemical weathering and biological uptake, mass-balance calculations were performed on two small forested watersheds located in the Blue Ridge Physiographic Province in north-central Maryland, USA. Both watersheds, Bear Branch (BB) and Fishing Creek Tributary (FCT), are underlain by relatively unreactive quartzite bedrock. Such unreactive bedrock and associated low chemical-weathering rates offer the opportunity to quantify biological processes operating within the watershed. Hydrologic and stream-water chemistry data were collected from the two watersheds for the 9-year period from June 1, 1990 to May 31, 1999. Of the two watersheds, FCT exhibited both higher chemical-weathering rates and biomass nutrient uptake rates, suggesting that forest biomass aggradation was limited by the rate of chemical weathering of the bedrock. Although the chemical-weathering rate in the FCT watershed was low relative to the global average, it masked the influence of biomass base-cation uptake on stream-water chemistry. Any differences in bedrock mineralogy between the two watersheds did not exert a significant influence on the overall weathering stoichiometry. The difference in chemical-weathering rates between the two watersheds is best explained by a larger proportion of reactive phyllitic layers within the bedrock of the FCT watershed. Although the stream gradient of BB is about two-times greater than that of FCT, its influence on chemical weathering appears to be negligible. The findings of this study support the biomass nutrient uptake stoichiometry of K1.0Mg1.1Ca0.97 previously determined for the study site. Investigations of the chemical weathering of relatively unreactive quartzite bedrock may provide insight into critical zone processes.

Tile drainage phosphorus loss with long-term consistent cropping systems and fertilization.

PubMed

Zhang, T Q; Tan, C S; Zheng, Z M; Drury, C F

2015-03-01

Phosphorus (P) loss in tile drainage water may vary with agricultural practices, and the impacts are often hard to detect with short-term studies. We evaluated the effects of long-term (≥43 yr) cropping systems (continuous corn [CC], corn-oats-alfalfa-alfalfa rotation [CR], and continuous grass [CS]) and fertilization (fertilization [F] vs. no-fertilization [NF]) on P loss in tile drainage water from a clay loam soil over a 4-yr period. Compared with NF, long-term fertilization increased concentrations and losses of dissolved reactive P (DRP), dissolved unreactive P (DURP), and total P (TP) in tile drainage water, with the increments following the order: CS > CR > CC. Dissolved P (dissolved reactive P [DRP] and dissolved unreactive P [DURP]) was the dominant P form in drainage outflow, accounting for 72% of TP loss under F-CS, whereas particulate P (PP) was the major form of TP loss under F-CC (72%), F-CR (62%), NF-CS (66%), NF-CC (74%), and NF-CR (72%). Dissolved unreactive P played nearly equal roles as DRP in P losses in tile drainage water. Stepwise regression analysis showed that the concentration of P (DRP, DURP, and PP) in tile drainage flow, rather than event flow volume, was the most important factor contributing to P loss in tile drainage water, although event flow volume was more important in PP loss than in dissolved P loss. Continuous grass significantly increased P loss by increasing P concentration and flow volume of tile drainage water, especially under the fertilization treatment. Long-term grasslands may become a significant P source in tile-drained systems when they receive regular P addition. Copyright © by the American Society of Agronomy, Crop Science Society of America, and Soil Science Society of America, Inc.

Ultrafiltration of pegylated proteins

NASA Astrophysics Data System (ADS)

Molek, Jessica R.

There is considerable clinical interest in the use of "second-generation" therapeutics produced by conjugation of a native protein with various polymers including polyethylene glycol (PEG). PEG--protein conjugates, so-called PEGylated proteins, can exhibit enhanced stability, half-life, and bioavailability. One of the challenges in the commercial production of PEGylated proteins is the purification required to remove unreacted polymer, native protein, and in many cases PEGylated proteins with nonoptimal degrees of conjugation. The overall objective of this thesis was to examine the use of ultrafiltration for the purification of PEGylated proteins. This included: (1) analysis of size-based separation of PEGylated proteins using conventional ultrafiltration membranes, (2) use of electrically-charged membranes to exploit differences in electrostatic interactions, and (3) examination of the effects of PEGylation on protein fouling. The experimental results were analyzed using appropriate theoretical models, with the underlying physical properties of the PEGylated proteins evaluated using size exclusion chromatography, capillary electrophoresis, dynamic light scattering, and reverse phase chromatography. PEGylated proteins were produced by covalent attachment of activated PEG to a protein via primary amines on the lysine residues. A simple model was developed for the reaction kinetics, which was used to explore the effect of reaction conditions and mode of operation on the distribution of PEGylated products. The effective size of the PEGylated proteins was evaluated using size exclusion chromatography, with appropriate correlations developed for the size in terms of the molecular weight of the native protein and attached PEG. The electrophoretic mobility of the PEGylated proteins were evaluated by capillary electrophoresis with the data in good agreement with a simple model accounting for the increase in protein size and the reduction in the number of protonated amine groups in the PEGylated proteins. Ultrafiltration experiments were performed using PEGylated alpha-lactalbumin, ovalbumin, and bovine serum albumin. In contrast to the size exclusion chromatography data, the sieving coefficient of the PEGylated proteins depended upon both the number and size of the attached PEG chains due to the elongation or deformation of the PEG associated with the filtrate flux. Sieving coefficients at low filtrate flux were in good agreement with predictions of available hydrodynamic models, with significant elongation occurring when the Deborah number for the PEG chain exceeded 0.001. The effects of electrostatic interactions on the ultrafiltration of PEGylated proteins were examined using electrically-charged membranes generated by covalent attachment of sulphonic acid groups to the base cellulosic membrane. Transmission of PEGylated proteins through charged membranes was dramatically reduced at low ionic strength due to strong electrostatic interactions, despite the presence of the neutral PEG. The experimental results were in good agreement with model calculations developed for the partitioning of charged spheres into charged cylindrical pores. The experimental and theoretical results provide the first quantitative analysis of the effects of PEGylation on transport through semipermeable ultrafiltration membranes. The results from small-scale ultrafiltration experiments were used to develop a two-stage diafiltration process to purify PEGylated alpha-lactalbumin. The first-stage used a neutral membrane to remove the unreacted protein by exploiting differences in size. The second stage used a negatively-charged membrane to remove hydrolyzed PEG, with the PEGylated product retained by strong electrostatic interactions. This process provided a purification factor greater than 1000 with respect to the unreacted protein and greater than 20-fold with respect to the PEG with an overall yield of PEGylated alpha-lactalbumin of 78%. These results provide the first demonstration of the potential of using ultrafiltration for the purification of protein-polymer conjugates.

Amorphization reaction in thin films of elemental Cu and Y

NASA Astrophysics Data System (ADS)

Johnson, R. W.; Ahn, C. C.; Ratner, E. R.

1989-10-01

Compositionally modulated thin films of Cu and Y were prepared in an ultrahigh-vacuum dc ion-beam deposition chamber. The amorphization reaction was monitored by in situ x-ray-diffraction measurements. Growth of amorphous Cu1-xYx is observed at room temperature with the initial formation of a Cu-rich amorphous phase. Further annealing in the presence of unreacted Y leads to Y enrichment of the amorphous phase. Growth of crystalline CuY is observed for T=469 K. Transmission-electron-microscopy measurements provide real-space imaging of the amorphous interlayer and growth morphology. Models are developed, incorporating metastable interfacial and bulk free-energy diagrams, for the early stage of the amorphization reaction.

Effect of reactive and un-reactive substrates on photopolymerization of self-etching adhesives with different aggressiveness

PubMed Central

ZHANG, Ying; WANG, Yong

2014-01-01

The study investigated the influence of reactive (enamel) and un-reactive (glass) substrates on photo-polymerization of self-etching adhesives. Two commercial adhesives Adper Prompt L-Pop (APLP, pH~0.8) and Adper Easy Bond (AEB, pH~2.5) were applied onto prepared enamel and glass substrates using the same protocol. Micro-Raman spectroscopy was employed to determine the degree of conversion (DC) and the involved mechanism. DC of APLP was dramatically enhanced from ~9.4% to ~82.0% as when changing from glass to enamel, while DC of AEB on both substrates showed no difference. The DC distributions along the adhesive layers of the APLP and AEB on enamel showed descending and constant trends, respectively. Spectral analysis disclosed that the difference in chemical reaction of the two adhesives with enamel might be associated with the results. The chemical reaction of the adhesives with enamel significantly improved the DC of the strong APLP, but not that of the mild AEB. PMID:23719012

Effect of reactive and un-reactive substrates on photopolymerization of self-etching adhesives with different aggressiveness.

PubMed

Zhang, Ying; Wang, Yong

2013-01-01

The study investigated the influence of reactive (enamel) and un-reactive (glass) substrates on photo-polymerization of self-etching adhesives. Two commercial adhesives Adper Prompt L-Pop (APLP, pH~0.8) and Adper Easy Bond (AEB, pH~2.5) were applied onto prepared enamel and glass substrates using the same protocol. Micro-Raman spectroscopy was employed to determine the degree of conversion (DC) and the involved mechanism. DC of APLP was dramatically enhanced from ~9.4% to ~82.0% as when changing from glass to enamel, while DC of AEB on both substrates showed no difference. The DC distributions along the adhesive layers of the APLP and AEB on enamel showed descending and constant trends, respectively. Spectral analysis disclosed that the difference in chemical reaction of the two adhesives with enamel might be associated with the results. The chemical reaction of the adhesives with enamel significantly improved the DC of the strong APLP, but not that of the mild AEB.

Advanced inorganic separators for alkaline batteries

NASA Technical Reports Server (NTRS)

Sheibley, D. W. (Inventor)

1982-01-01

A flexible, porous battery separator comprising a coating applied to a porous, flexible substrate is described. The coating comprises: (1) a thermoplastic rubber-based resin which is insoluble and unreactive in the alkaline electrolyte; (2) a polar organic plasticizer which is reactive with the alkaline electrolyte to produce a reaction product which contains a hydroxyl group and/or a carboxylic acid group; and (3) a mixture of polar particulate filler materials which are unreactive with the electrolyte, the mixture comprising at least one first filler material having a surface area of greater than 25 meters sq/gram, at least one second filler material having a surface area of 10 to 25 sq meters/gram, wherein the volume of the mixture of filler materials is less than 45% of the total volume of the fillers and the binder, the filler surface area per gram of binder is about 20 to 60 sq meters/gram, and the amount of plasticizer is sufficient to coat each filler particle. A method of forming the battery separator is also described.

Advanced inorganic separators for alkaline batteries and method of making the same

NASA Technical Reports Server (NTRS)

Sheibley, D. W. (Inventor)

1983-01-01

A flexible, porous battery separator includes a coating applied to a porous, flexible substrate. The coating comprises: (1) a thermoplastic rubber-based resin which is insoluble and unreactive in the alkaline electrolyte, (2) a polar organic plasticizer which is reactive with the alkaline electrolyte to produce a reaction product which contains a hydroxyl group and/or a carboxylic acid group, and (3) a mixture of polar particulate filler materials which are unreactive with the electrode. The mixture comprises at least one first filler material having a surface area of greater than 25 sq meters/gram, at last one second filler material having a surface area of 10 to 25 sq meters/gram. The volume of the mixture of filler materials is less than 45% of the total volume of the fillers and the binder. The filler surface area per gram of binder is about 20 to 60 sq meters/gram, and the amount of plasticizer is sufficient to coat each filler particle.

Evaluation of Sorbents for Acetylene Separation in Atmosphere Revitalization Loop Closure

NASA Technical Reports Server (NTRS)

Abney, Morgan B.; Miller, Lee A.; Barton, Katherine

2012-01-01

State-of-the-art carbon dioxide reduction technology uses a Sabatier reactor to recover water from metabolic carbon dioxide. In order to maximize oxygen loop closure, a byproduct of the system, methane, must be reduced to recover hydrogen. NASA is currently exploring a microwave plasma methane pyrolysis system for this purpose. The resulting product stream of this technology includes unreacted methane, product hydrogen, and acetylene. The hydrogen and the small amount of unreacted methane resulting from the pyrolysis process can be returned to the Sabatier reactor thereby substantially improving the overall efficiency of the system. However, the acetylene is a waste product that must be removed from the pyrolysis product. Two materials have been identified as potential sorbents for acetylene removal: zeolite 4A, a commonly available commercial sorbent, and HKUST-1, a newly developed microporous metal. This paper provides an explanation of the rationale behind acetylene removal and the results of separation testing with both materials

Evaluation of Sorbents for Acetylene Separation in Atmosphere Revitalization Loop Closure

NASA Technical Reports Server (NTRS)

Abney, Morgan B.; Miller, Lee A.; Barton, Katherine

2011-01-01

State-of-the-art carbon dioxide reduction technology uses a Sabatier reactor to recover water from metabolic carbon dioxide. In order to maximize oxygen loop closure, a byproduct of the system, methane, must be reduced to recover hydrogen. NASA is currently exploring a microwave plasma methane pyrolysis system for this purpose. The resulting product stream of this technology includes unreacted methane, product hydrogen, and acetylene. The hydrogen and the small amount of unreacted methane resulting from the pyrolysis process can be returned to the Sabatier reactor thereby substantially improving the overall efficiency of the system. However, the acetylene is a waste product that must be removed from the pyrolysis product. Two materials have been identified as potential sorbents for acetylene removal: zeolite 4A, a commonly available commercial sorbent, and HKUST-1, a newly developed microporous metal. This paper provides an explanation of the rationale behind acetylene removal and the results of separation testing with both materials.

Specific surface area of a crushed welded tuff before and after aqueous dissolution

USGS Publications Warehouse

Reddy, M.M.; Claassen, H.C.

1994-01-01

Specific surface areas were measured for several reference minerals (anorthoclase, labradorite and augite), welded tuff and stream sediments from Snowshoe Mountain, near Creede, Colorado. Crushed and sieved tuff had an unexpectedly small variation in specific surface area over a range of size fractions. Replicate surface area measurements of the largest and smallest tuff particle size fractions examined (1-0.3 mm and <0.212 mm) were 2.3 ?? 0.2 m2/g for each size fraction. Reference minerals prepared in the same way as the tuff had smaller specific surface areas than that of the tuff of the same size fraction. Higher than expected tuff specific surface areas appear to be due to porous matrix. Tuff, reacted in solutions with pH values from 2 to 6, had little change in specific surface area in comparison with unreacted tuff. Tuff, reacted with solutions having high acid concentrations (0.1 M hydrochloric acid or sulfuric-hydrofluoric acid), exhibited a marked increase in specific surface area compared to unreacted tuff. ?? 1994.

Method and apparatus for vapor detection

NASA Technical Reports Server (NTRS)

Lerner, Melvin (Inventor); Hood, Lyal V. (Inventor); Rommel, Marjorie A. (Inventor); Pettitt, Bruce C. (Inventor); Erikson, Charles M. (Inventor)

1980-01-01

The method disclosed herein may be practiced by passing the vapors to be sampled along a path with halogen vapor, preferably chlorine vapor, heating the mixed vapors to halogenate those of the sampled vapors subject to halogenation, removing unreacted halogen vapor, and then sensing the vapors for organic halogenated compounds. The apparatus disclosed herein comprises means for flowing the vapors, both sample and halogen vapors, into a common path, means for heating the mixed vapors to effect the halogenation reaction, means for removing unreacted halogen vapor, and a sensing device for sensing halogenated compounds. By such a method and means, the vapors of low molecular weight hydrocarbons, ketones and alcohols, when present, such as methane, ethane, acetone, ethanol, and the like are converted, at least in part, to halogenated compounds, then the excess halogen removed or trapped, and the resultant vapors of the halogenated compounds sensed or detected. The system is highly sensitive. For example, acetone in a concentration of 30 parts per billion (volume) is readily detected.

Ignition-and-Growth Modeling of NASA Standard Detonator and a Linear Shaped Charge

NASA Technical Reports Server (NTRS)

Oguz, Sirri

2010-01-01

The main objective of this study is to quantitatively investigate the ignition and shock sensitivity of NASA Standard Detonator (NSD) and the shock wave propagation of a linear shaped charge (LSC) after being shocked by NSD flyer plate. This combined explosive train was modeled as a coupled Arbitrary Lagrangian-Eulerian (ALE) model with LS-DYNA hydro code. An ignition-and-growth (I&G) reactive model based on unreacted and reacted Jones-Wilkins-Lee (JWL) equations of state was used to simulate the shock initiation. Various NSD-to-LSC stand-off distances were analyzed to calculate the shock initiation (or failure to initiate) and detonation wave propagation along the shaped charge. Simulation results were verified by experimental data which included VISAR tests for NSD flyer plate velocity measurement and an aluminum target severance test for LSC performance verification. Parameters used for the analysis were obtained from various published data or by using CHEETAH thermo-chemical code.

Water treatment method

DOEpatents

Martin, Frank S.; Silver, Gary L.

1991-04-30

A method for reducing the concentration of any undesirable metals dissolved in contaminated water, such as waste water. The method involves uniformly reacting the contaminated water with an excess amount of solid particulate calcium sulfite to insolubilize the undesirable metal ions, followed by removal thereof and of the unreacted calcium sulfite.

Football Pools and the Reactivity Series of Metals.

ERIC Educational Resources Information Center

Heselden, Russ

2001-01-01

Describes an activity which presents the reactivity of metals series as a football pool with more reactive metals at the top of the table and unreactive metals at the bottom. Describes how the activity can be applied in different ways for different ability groups. (Author/MM)

Synthesis and tribological investigation of lipoyl glycerides

USDA-ARS?s Scientific Manuscript database

Lipoyl glycerides (LG) were synthesized by enzymatic transesterification of lipoic acid (LA) with high oleic sunflower oil (HOSuO) in 2-methyl-2-butanol solvent. The synthesis gave a crude product mixture (LGc) comprising unreacted LA, free fatty acids (FFA), and various LG structures with varying d...

COMPOUND-SPECIFIC CARBON AND HYDROGEN ISOTOPE ANALYSIS-FIELD EVIDENCE OF MTBE BIOREMEDIATION

EPA Science Inventory

Chemical reactions (including bio- and abiotic degradation) tend to favor molecules with the lighter isotopic species (e.g., 12C, 1H), resulting in enrichment of the heavier isotopic species (13C, D) in the unreacted substrate, referred to as isotopic fractionation. On the other ...

Water treatment method

DOEpatents

Martin, F.S.; Silver, G.L.

1991-04-30

A method is described for reducing the concentration of any undesirable metals dissolved in contaminated water, such as waste water. The method involves uniformly reacting the contaminated water with an excess amount of solid particulate calcium sulfite to insolubilize the undesirable metal ions, followed by removal thereof and of the unreacted calcium sulfite.

Process for the production of low flammability electrolyte solvents

DOEpatents

Krumdick, Gregory K.; Pupek, Krzysztof; Dzwiniel, Trevor L.

2016-02-16

The invention provides a method for producing electrolyte solvent, the method comprising reacting a glycol with a disilazane in the presence of a catalyst for a time and at a temperature to silylate the glycol, separating the catalyst from the silylated glycol, removing unreacted silazane; and purifying the silylated glycol.

The Design and Synthesis of Infrared Flourescent Colorants

DTIC Science & Technology

1974-11-01

VII). The phenazine derivative formed under these conditions reflects the presence of initially high concentrations of unreacted 3-AMF at high...difluoreno[1,9-ab:9’,l’-hi] phenazine (see List of Compounds). (This compound was also obtained merely by heating a solution of 3-aminofluoranthene in

15 CFR 710.1 - Definitions of terms used in the Chemical Weapons Convention Regulations (CWCR).

Code of Federal Regulations, 2010 CFR

2010-01-01

... chemical means its conversion into another chemical via a chemical reaction. Unreacted material must be... formed through chemical reaction that is subsequently reacted to form another chemical. ITAR. Means the... formation of a chemical through chemical reaction, including biochemical or biologically mediated reaction...

High Pressure and High Temperature State of Oxygen Enriched Ice

NASA Astrophysics Data System (ADS)

LI, M.; Zhang, S.; Jeanloz, R.; Militzer, B.

2016-12-01

Interior models for Uranus and Neptune include a hydrogen/helium/water outer envelope and a core of rock and metal at the center, with superionic water-rich ice proposed as comprising an intermediate layer. Here we consider an oxygen-enriched ice, such as H2O2 hydrogen peroxide (± water), that could form through chemical reaction between water-rich and underlying rocky (i.e., oxygen-rich) layers. As oxygen and its compounds (e.g., H2O, SiO2) form metallic fluids at pressures above 100-150 GPa, the problem amounts to considering oxygen alloying of semiconducting or metallic water. The density of H2O2 is 1.45 g/cc at ambient pressure and 0° C, increasing to 1.71 g/cc in the solid state at about -20° C. There are no Hugoniot data beyond 30 GPa, so we estimated Hugoniots for H2O2 with different initial densities, using both a mixing model based on Hugoniot data for H2O2 and 1/2 O2 (molar volume summation under pressure) and ab initio calculations for unreacted H2O2. The results agree with each other to pressures of about 200 GPa, and the ab initio calculations show evidence of a superionic state at temperatures as low as 500 K, much lower than for water ice. Hydrogen peroxide is expected to be liquid along planetary isentropes for Uranus and Neptune, suggesting that H2O2 may not be present as a pure compound in these planets. Instead, oxygen-enriched H2O ice may be the relevant form of water and oxygen, and might be produced in the laboratory by way of dynamic compression of H2O2 or laser-heating of statically compressed H2O + O2 and/or H2O2.

Ion-mobility study of two functionalized pentacene structural isomers using a modified electrospray/triple quadrupole mass spectrometer

NASA Astrophysics Data System (ADS)

Prada, Svitlana V.; Bohme, Diethard K.; Baranov, Vladimir I.

2007-03-01

We report ion-mobility measurements with a modified triple quadrupole mass spectrometer fitted with an ion molecule reactor (IMR) designed to investigate ion molecule reactivity in organic mass spectrometry. Functionalized pentacene ions, which are generally unreactive were chosen for study to decouple drift/diffusion effects from reactivity (including clustering). The IMR is equipped with a variable axial electrostatic drift field (ADF) and is able to trap ions. These capabilities were successfully employed in the measurement of ion mobilities in different modes of IMR operation. Theoretical modeling of the drift dynamics and the special localization of the large ion packet was successfully implemented. The contribution of the quadrupole RF field to the drift dynamics also was taken into consideration.

Heptavalent Neptunium in a Gas-Phase Complex: (Np VIIO 3 +)(NO 3 –) 2

DOE PAGES

Dau, Phuong D.; Maurice, Remi; Renault, Eric; ...

2016-09-15

A central goal of chemistry is to achieve ultimate oxidation states, including in gas-phase complexes with no condensed phase perturbations. In the case of the actinide elements, the highest established oxidation states are labile Pu(VII) and somewhat more stable Np(VII). We have synthesized and characterized gas-phase AnO 3(NO 3) 2- complexes for An = U, Np, and Pu by endothermic NO 2 elimination from AnO 2(NO 3) 3-. It was previously demonstrated that the PuO 3+ core of PuO 3(NO 3) 2- has a Pu—O• radical bond such that the oxidation state is Pu(VI); it follows that in UO 3(NOmore » 3) 2- it is the stable U(VI) oxidation state. On the basis of the relatively more facile synthesis of NpO 3(NO 3) 2-, a Np(VII) oxidation state is inferred. This interpretation is substantiated by reactivity of the three complexes: NO 2 spontaneously adds to UO 3(NO 3) 2- and PuO 3(NO 3) 2- but not to NpO 3(NO 3) 2-. This unreactive character is attributed to a Np(VII)O 3+ core with three stable Np=O bonds, this in contrast to reactive U—O• and Pu—O• radical bonds. The computed structures and reaction energies for the three AnO 3(NO 3) 2- support the conclusion that the oxidation states are U(VI), Np(VII), and Pu(VI). These results establish the extreme Np(VII) oxidation state in a gas-phase complex, and demonstrate the inherently greater stability of Np(VII) versus Pu(VII).« less

Kinetics of methane-ethane gas replacement in clathrate-hydrates studied by time-resolved neutron diffraction and Raman spectroscopy.

PubMed

Murshed, M Mangir; Schmidt, Burkhard C; Kuhs, Werner F

2010-01-14

The kinetics of CH(4)-C(2)H(6) replacement in gas hydrates has been studied by in situ neutron diffraction and Raman spectroscopy. Deuterated ethane structure type I (C(2)H(6) sI) hydrates were transformed in a closed volume into methane-ethane mixed structure type II (CH(4)-C(2)H(6) sII) hydrates at 5 MPa and various temperatures in the vicinity of 0 degrees C while followed by time-resolved neutron powder diffraction on D20 at ILL, Grenoble. The role of available surface area of the sI starting material on the formation kinetics of sII hydrates was studied. Ex situ Raman spectroscopic investigations were carried out to crosscheck the gas composition and the distribution of the gas species over the cages as a function of structure type and compared to the in situ neutron results. Raman micromapping on single hydrate grains showed compositional and structural gradients between the surface and core of the transformed hydrates. Moreover, the observed methane-ethane ratio is very far from the one expected for a formation from a constantly equilibrated gas phase. The results also prove that gas replacement in CH(4)-C(2)H(6) hydrates is a regrowth process involving the nucleation of new crystallites commencing at the surface of the parent C(2)H(6) sI hydrate with a progressively shrinking core of unreacted material. The time-resolved neutron diffraction results clearly indicate an increasing diffusion limitation of the exchange process. This diffusion limitation leads to a progressive slowing down of the exchange reaction and is likely to be responsible for the incomplete exchange of the gases.

Effects of nonmethane hydrocarbons in the atmosphere

NASA Technical Reports Server (NTRS)

Chameides, W. L.; Cicerone, R. J.

1978-01-01

An investigation was conducted to determine whether nonmethane hydrocarbons (NMHC) are abundant enough to have a significant impact upon the ambient photochemistry. The vertical distribution of C2H6, C2H2, C3H8, C4H10, and C5H12 in the altitude range from 0 to 40 km was calculated in this connection. A one-dimensional steady state model with coupled photochemistry and vertical transport was employed in the investigation. The calculations imply that measurable quantities of relatively unreactive NMHC, especially C2H6 and C2H2, may be present in the upper troposphere and stratosphere. The results indicate, however, that NMHC are not likely to have a large impact on the background photochemistry of the troposphere, although local effects near source regions are probable. The findings support the current practice of many modelers who neglect NMHC in their calculations.

Molecular based equation of state for shocked liquid nitromethane.

PubMed

Desbiens, Nicolas; Bourasseau, Emeric; Maillet, Jean-Bernard; Soulard, Laurent

2009-07-30

An approach is proposed to obtain the equation of state of unreactive shocked liquid nitromethane. Unlike previous major works, this equation of state is not based on extended integration schemes [P.C. Lysne, D.R. Hardesty, Fundamental equation of state of liquid nitromethane to 100 kbar, J. Chem. Phys. 59 (1973) 6512]. It does not follow the way proposed by Winey et al. [J.M. Winey, G.E. Duvall, M.D. Knudson, Y.M. Gupta, Equation of state and temperature measurements for shocked nitromethane, J. Chem. Phys. 113 (2000) 7492] where the specific heat C(v), the isothermal bulk modulus B(T) and the coefficient of thermal pressure (deltaP/deltaT)(v) are modeled as functions of temperature and volume using experimental data. In this work, we compute the complete equation of state by microscopic calculations. Indeed, by means of Monte Carlo molecular simulations, we have proposed a new force field for nitromethane that lead to a good description of shock properties [N. Desbiens, E. Bourasseau, J.-B. Maillet, Potential optimization for the calculation of shocked liquid nitromethane properties, Mol. Sim. 33 (2007) 1061; A. Hervouët, N. Desbiens, E. Bourasseau, J.-B. Maillet, Microscopic approaches to liquid nitromethane detonation properties, J. Phys. Chem. B 112 (2008) 5070]. Particularly, it has been shown that shock temperatures and second shock temperatures are accurately reproduced which is significative of the quality of the potential. Here, thermodynamic derivative properties are computed: specific heats, Grüneisen parameter, sound velocity among others, along the Hugoniot curve. This work constitutes to our knowledge the first determination of the equation of state of an unreactive shocked explosive by molecular simulations.

Convection induced by thermal gradients on thin reaction fronts

NASA Astrophysics Data System (ADS)

Ruelas Paredes, David R. A.; Vasquez, Desiderio A.

2017-09-01

We present a thin front model for the propagation of chemical reaction fronts in liquids inside a Hele-Shaw cell or porous media. In this model we take into account density gradients due to thermal and compositional changes across a thin interface. The front separating reacted from unreacted fluids evolves following an eikonal relation between the normal speed and the curvature. We carry out a linear stability analysis of convectionless flat fronts confined in a two-dimensional rectangular domain. We find that all fronts are stable to perturbations of short wavelength, but they become unstable for some wavelengths depending on the values of compositional and thermal gradients. If the effects of these gradients oppose each other, we observe a range of wavelengths that make the flat front unstable. Numerical solutions of the nonlinear model show curved fronts of steady shape with convection propagating faster than flat fronts. Exothermic fronts increase the temperature of the fluid as they propagate through the domain. This increment in temperature decreases with increasing speed.

Reactive flow model development for PBXW-126 using modern nonlinear optimization methods

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

Murphy, M.J.; Simpson, R.L.; Urtiew, P.A.

1995-08-01

The initiation and detonation behavior of PBXW-126 has been characterized and is described. PBXW-126 is a composite explosive consisting of approximately equal amounts of RDX, AP, AL, and NTO with a polyurethane binder. The three term ignition and growth of reaction model parameters (ignition + two growth terms) have been found using nonlinear optimization methods to determine the {open_quotes}best{close_quotes} set of model parameters. The ignition term treats the initiation of up to 0.5% of the RDX The first growth term in the model treats the RDX growth of reaction up to 20% reacted. The second growth term treats the subsequentmore » growth of reaction of the remaining AP/AL/NTO. The unreacted equation of state (EOS) was determined from the wave profiles of embedded gauge tests while the JWL product EOS was determined from cylinder expansion test results. The nonlinear optimization code, NLQPEB/GLO, was used to determine the {open_quotes}best{close_quotes} set of coefficients for the three term Lee-Tarver ignition and growth of reaction model.« less

Attrition resistant, zinc titanate-containing, reduced sulfur sorbents

DOEpatents

Vierheilig, Albert A.; Gupta, Raghubir P.; Turk, Brian S.

2004-11-02

The disclosure is directed to sorbent compositions for removing reduced sulfur species (e.g., H.sub.2 S, COS and CS.sub.2) a feed stream. The sorbent is formed from a multi-phase composition including a zinc titanate phase and a zinc oxide-aluminate phase. The sorbent composition is substantially free of unreacted alumina.

Preparation of Solvent-Dispersible Graphene and its Application to Nanocomposites

DTIC Science & Technology

2016-06-14

sulfuric acid (H2SO4), hydrochloric acid (HCl), hydrogen peroxide (H2O2), potassium permanganate (KMnO4), and sodium nitrate (NaNO3) were...then added to reduce the unreacted permanganate . The mixture was then filtered through a cellulose filter and washed sequentially with dilute HCl and

Low Temperature Sorbents for Removal of Sulfur Compounds from Fluid Feed Streams

DOEpatents

Siriwardane, Ranjani

2004-06-01

A sorbent material is provided comprising a material reactive with sulfur, a binder unreactive with sulfur and an inert material, wherein the sorbent absorbs the sulfur at temperatures between 30 and 200 C. Sulfur absorption capacity as high as 22 weight percent has been observed with these materials.

Method for fabricating an ignitable heterogeneous stratified metal structure

DOEpatents

Barbee, T.W. Jr.; Weihs, T.

1996-08-20

A multilayer structure has a selectable: (1) propagating reaction front velocity V; (2) reaction initiation temperature attained by application of external energy; and (3) amount of energy delivered by a reaction of alternating unreacted layers of the multilayer structure. Because V is selectable and controllable, a variety of different applications for the multilayer structures are possible, including but not limited to their use as igniters, in joining applications, in fabrication of new materials, as smart materials and in medical applications and devices. The multilayer structure has a period D, and an energy release rate constant K. Two or more alternating unreacted layers are made of different materials and separated by reacted zones. The period D is equal to a sum of the widths of each single alternating reaction layer of a particular material, and also includes a sum of reacted zone widths, t{sub i}, in the period D. The multilayer structure has a selectable propagating reaction front velocity V, where V=K(1/D{sup n}){times}[1-(t{sub i}/D)] and n is about 0.8 to 1.2. 8 figs.

Glass Frit Filters for Collecting Metal Oxide Nanoparticles

NASA Technical Reports Server (NTRS)

Ackerman, John; Buttry, Dan; Irvine, Geoffrey; Pope, John

2005-01-01

Filter disks made of glass frit have been found to be effective as means of high-throughput collection of metal oxide particles, ranging in size from a few to a few hundred nanometers, produced in gas-phase condensation reactors. In a typical application, a filter is placed downstream of the reactor and a valve is used to regulate the flow of reactor exhaust through the filter. The exhaust stream includes a carrier gas, particles, byproducts, and unreacted particle-precursor gas. The filter selectively traps the particles while allowing the carrier gas, the byproducts, and, in some cases, the unreacted precursor, to flow through unaffected. Although the pores in the filters are much larger than the particles, the particles are nevertheless trapped to a high degree: Anecdotal information from an experiment indicates that 6-nm-diameter particles of MnO2 were trapped with greater than 99-percent effectiveness by a filtering device comprising a glass-frit disk having pores 70 to 100 micrometer wide immobilized in an 8-cm-diameter glass tube equipped with a simple twist valve at its downstream end.

Method for fabricating an ignitable heterogeneous stratified metal structure

DOEpatents

Barbee, Jr., Troy W.; Weihs, Timothy

1996-01-01

A multilayer structure has a selectable, (i) propagating reaction front velocity V, (ii) reaction initiation temperature attained by application of external energy and (iii) amount of energy delivered by a reaction of alternating unreacted layers of the multilayer structure. Because V is selectable and controllable, a variety of different applications for the multilayer structures are possible, including but not limited to their use as ignitors, in joining applications, in fabrication of new materials, as smart materials and in medical applications and devices. The multilayer structure has a period D, and an energy release rate constant K. Two or more alternating unreacted layers are made of different materials and separated by reacted zones. The period D is equal to a sum of the widths of each single alternating reaction layer of a particular material, and also includes a sum of reacted zone widths, t.sub.i, in the period D. The multilayer structure has a selectable propagating reaction front velocity V, where V=K(1/D.sup.n).times.[1-(t.sub.i /D)]and n is about 0.8 to 1.2.

40 CFR 63.1427 - Process vent requirements for processes using extended cookout as an epoxide emission reduction...

Code of Federal Regulations, 2012 CFR

2012-07-01

... reactor liquid at the beginning of the time period, weight percent. k = Reaction rate constant, 1/hr. t = Time, hours. Note: This equation assumes a first order reaction with respect to epoxide concentration... measuring the concentration of the unreacted epoxide, or by using process knowledge, reaction kinetics, and...

75 FR 37300 - Correction of Code of Federal Regulations: Removal of Temporary Listing of Benzylfentanyl and...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-06-29

... scheduled fentanyl compounds at the University of Michigan Medical School in Ann Arbor and at the Medical College of Virginia in Richmond. The studies indicated that while most of the fentanyl compounds had abuse... samples with other fentanyl analogues and were most likely unreacted intermediates in the synthesis of the...

Synthesis and cure kinetics of liquefied wood/phenol/formaldehyde resins

Treesearch

Hui Pan; Todd F. Shupe; Chung-Yun Hse

2008-01-01

Wood liquefaction was conducted at a 2/1 phenol/wood ratio in two different reactors: (1) an atmospheric three-necked flask reactor and (2) a sealed Parr reactor. The liquefied wood mixture (liquefied wood, unreacted phenol, and wood residue) was further condensed with formaldehyde under acidic conditions to synthesize two novolac-type liquefied wood/phenol/...

DEPLETION OF CELLULAR PROTEIN THIOLS AS AN INDICATOR OF ARYLATION IN ISOLATED TROUT HEPATOCYTES EXPOSED TO 1,4-BENZOQUINONE

EPA Science Inventory

A method for the measurement of protein thiols (PrSH), un-reacted as well as oxidized, i.e. dithiothreitol recoverable, was adapted for the determination of PrSH depletion in isolated rainbow trout hepatocytes exposed to an arylating agent, 1,4-benzoquinone (BQ). Toxicant analysi...

40 CFR 98.156 - Data reporting requirements.

Code of Federal Regulations, 2010 CFR

2010-07-01

... tons) of materials other than HCFC-22 and HFC-23 (i.e., unreacted reactants, HCl and other by-products... site for destruction in metric tons. (10) Mass of HFC-23 in storage at the beginning and end of the... thermal oxidizer. (2) Annual mass of HFC-23 destroyed. (3) Annual mass of HFC-23 emitted from the thermal...

21 CFR 178.3780 - Polyhydric alcohol esters of long chain monobasic acids.

Code of Federal Regulations, 2013 CFR

2013-04-01

... chloride copolymer articles complying with § 177.1980 of this chapter that contact food of Types I, II, IV... 1,050 to 1,700. The esters are produced by the reaction of either ethylene glycol or glycerol with... chain alpha-olefins, the unreacted carboxylic acids in the formation of the glycerol esters being...

21 CFR 178.3780 - Polyhydric alcohol esters of long chain monobasic acids.

Code of Federal Regulations, 2010 CFR

2010-04-01

... chloride copolymer articles complying with § 177.1980 of this chapter that contact food of Types I, II, IV... 1,050 to 1,700. The esters are produced by the reaction of either ethylene glycol or glycerol with... chain alpha-olefins, the unreacted carboxylic acids in the formation of the glycerol esters being...

21 CFR 178.3780 - Polyhydric alcohol esters of long chain monobasic acids.

Code of Federal Regulations, 2012 CFR

2012-04-01

... chloride copolymer articles complying with § 177.1980 of this chapter that contact food of Types I, II, IV... 1,050 to 1,700. The esters are produced by the reaction of either ethylene glycol or glycerol with... chain alpha-olefins, the unreacted carboxylic acids in the formation of the glycerol esters being...

21 CFR 178.3780 - Polyhydric alcohol esters of long chain monobasic acids.

Code of Federal Regulations, 2011 CFR

2011-04-01

... chloride copolymer articles complying with § 177.1980 of this chapter that contact food of Types I, II, IV... 1,050 to 1,700. The esters are produced by the reaction of either ethylene glycol or glycerol with... chain alpha-olefins, the unreacted carboxylic acids in the formation of the glycerol esters being...

Simulation of the detonation process of an ammonium nitrate based emulsion explosive using the lee-tarver reactive flow model

NASA Astrophysics Data System (ADS)

Ribeiro, José B.; Silva, Cristóvão; Mendes, Ricardo; Plaksin, I.; Campos, Jose

2012-03-01

The use of emulsion explosives [EEx] for processing materials (compaction, welding and forming) requires the ability to perform detailed simulations of its detonation process [DP]. Detailed numerical simulations of the DP of this kind of explosives, characterized by having a finite reaction zone thickness, are thought to be suitably performed using the Lee-Tarver reactive flow model. In this work a real coded genetic algorithm methodology was used to estimate the 15 parameters of the reaction rate equation [RRE] of that model for a particular EEx. This methodology allows, in a single optimization procedure, using only one experimental result and without the need of any starting solution, to seek for the 15 parameters of the RRE that fit the numerical to the experimental results. Mass averaging and the Plate-Gap Model have been used for the determination of the shock data used in the unreacted explosive JWL EoS assessment, and the thermochemical code THOR retrieved the data used in the detonation products JWL EoS assessment. The obtained parameters allow a reasonable description of the experimental data.

Reactive Infiltration of Silicon Melt Through Microporous Amorphous Carbon Preforms

NASA Technical Reports Server (NTRS)

Sangsuwan, P.; Tewari, S. N.; Gatica, J. E.; Singh, M.; Dickerson, R.

1999-01-01

The kinetics of unidirectional capillary infiltration of silicon melt into microporous carbon preforms have been investigated as a function of the pore morphology and melt temperature. The infiltrated specimens showed alternating bands of dark and bright regions, which corresponded to the unreacted free carbon and free silicon regions, respectively. The decrease in the infiltration front velocity for increasing infiltration distances, is in qualitative agreement with the closed-form solution of capillarity driven fluid flow through constant cross section cylindrical pores. However, drastic changes in the thermal response and infiltration front morphologies were observed for minute differences in the preforms microstructure. This suggests the need for a dynamic percolation model that would account for the exothermic nature of the silicon-carbon chemical reaction and the associated pore closing phenomenon.

Isochoric Burn, an Internally Consistent Method for the Reactant to Product Transformation in Reactive Flow

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

Reaugh, J E; Lee, E L

2002-07-01

Mixture rules for partially reacted explosives differ amongst various models. For instance, JWL++ uses a partial pressure addition to compute an average zonal pressure, Ignition and Growth requires pressure equilibration and thermal equilibration of temperature dependent JWL EOSs, CHEETAH In Line RF also assumes temperature and pressure equilibration. It has been suggested in the past that a more realistic equilibration scheme should comprise isentropic pressure equilibration of the separate reacted and unreacted phases. This turns out not to be a proper path for equilibration. Rather, we find that the only internally consistent method is the evaluation of the equilibrium pressuremore » that satisfies the particular conditions of reactant and product resulting from deflagration in a fixed volume.« less

Understanding gas shales using inorganic, ternary geochemical systematics.

NASA Astrophysics Data System (ADS)

Basu, Sudeshna; Jones, Adrian; Verchovsky, Alexander

2016-04-01

We have developed a new approach of simultaneous analyses of carbon, nitrogen and noble gases, for isotopic and elemental compositions in bulk shales from different depths (11785 to 11909 feet) of a core from the Haynesville Bossier formation to decouple the different trapped components. This is preceded by major, minor and trace elemental analyses to understand their paleo productivity, tectonic and redox conditions of deposition as well as constraining their alteration and weathering. 5 to 10 mg of samples have been combusted from 200-1200°C in incremental steps of 100°C. Based on δ13C, we identify both marine+lacustrine (δ13C ~ -25 ‰, C/N ~ 5) and minor continental organic matter (δ13C ~ -27 ‰, C/N ~ 60) in the samples, in agreement with observations from elemental compositions. Extremely depleted δ13C of ≤ -34 ‰ in some temperature steps, can be attributed to methanogenesis. Two carbonate populations, primary (δ13C ~ 0 to 2 ‰) and diagenetic (δ13C ~ -13 to -11 ‰) can also be identified. We have been able to identify the multiple C components present in the samples, including very minor ones, without resorting to acid treatment. The bulk N δ15N values vary from -1.2to +6.4 ‰, but show a wide range from -15 to 15 ‰ within individual steps. By suitable modelling, we constrain the primary δ15N to be 5 to 8 ‰, identifiable in very high temperature steps of heating. This is possible if there is penetration of hot fluids that eliminates organic N along a reaction front leaving it fractionated, but leaves behind an unreacted core of residual nitrogen unaffected by isotopic fractionation (Boudou et al., 2008). Our study indicates that using bulk N values as primary signatures to constrain the redox conditions of deposition or thermal maturity of shales as is the practice, should be done with caution. Simultaneously obtained noble gases were used to constrain gas retention in the samples. Deviations of measured 4He/40Ar* (where 40Ar* represents radiogenic 40Ar after correcting for contribution from atmospheric Ar) from expected values has been used to monitor gas loss by degassing. Boudou, J., Schimmelmann, A., Ader, M., Mastalerz, M., Sebilo, M., Gengembre, L.,2008. Organic nitrogen chemistry during low grade metamorphism. Geochimica Cosmochimica Acta 72, 1199-1221.

Condensed tannin-resorcinol adducts and their use in wood-laminating adhesives: An exploratory study

Treesearch

Richard W. Hemingway; R.E. Kreibich

1984-01-01

The reaction of a tannin extract (containing about 30% carbohydrate) from loblolly pine (Pinus taeda L.) bark (two parts) and resorcinol (one part) at 120°C for 24 h with acetic acid catalyst gave a product containing predominantly oligomeric procyanidin-4-resorcinol adducts (39%), unreacted resorcinol (22%), carbohydrate (20%). the resorcinol adduct...

The alteration of rhyolite in CO2 charged water at 200 and 350°C: The unreactivity of CO2 at higher temperature

USGS Publications Warehouse

Bischoff, James L.; Rosenbauer, Robert J.

1996-01-01

These observations also offer a possible explanation for the change in chemical sediments from chloride-dominated to bicarbonate-dominated salts found in the stratigraphic section at Searles Lake, California, the terminus of the Owens River which derives its dissolved load from hot springs of the Long Valley caldera.

APPARATUS FOR THE PRODUCTION OF LITHIUM METAL

DOEpatents

Baker, P.S.; Duncan, F.R.; Greene, H.B.

1961-08-22

Methods and apparatus for the production of high-purity lithium from lithium halides are described. The apparatus is provided for continuously contacting a molten lithium halide with molten barium, thereby forming lithium metal and a barium halide, establishing separate layers of these reaction products and unreacted barium and lithium halide, and continuously withdrawing lithium and barium halide from the reaction zone. (AEC)

Advanced Integrated Fuel/Combustion Systems

DTIC Science & Technology

2004-01-01

disulfides to form sulfonic acids and sulfones, which are removed by phase separation, leaving the thiophenic com- pounds unreacted. Briefly, for the...additives result in an increased oxidation rate and substantially reduced deposition. The increased oxidation rate is due to the removal of these...ability to follow the formation and/or removal of the species during thermal-oxidative exposure is invaluable in understanding the autoxidative

Ignitable heterogeneous stratified structure for the propagation of an internal exothermic chemical reaction along an expanding wavefront and method of making same

DOEpatents

Barbee, T.W. Jr.; Weihs, T.

1996-07-23

A multilayer structure has a selectable, (1) propagating reaction front velocity V, (2) reaction initiation temperature attained by application of external energy, and (3) amount of energy delivered by a reaction of alternating unreacted layers of the multilayer structure. Because V is selectable and controllable, a variety of different applications for the multilayer structures are possible, including but not limited to their use as igniters, in joining applications, in fabrication of new materials, as smart materials and in medical applications and devices. The multilayer structure has a period D, and an energy release rate constant K. Two or more alternating unreacted layers are made of different materials and separated by reacted zones. The period D is equal to a sum of the widths of each single alternating reaction layer of a particular material, and also includes a sum of reacted zone widths, t{sub i}, in the period D. The multilayer structure has a selectable propagating reaction front velocity V, where V=K(1/D{sup n}){times}[1-(t{sub i}/D)] and n is about 0.8 to 1.2. 8 figs.

Ignitable heterogeneous stratified structure for the propagation of an internal exothermic chemical reaction along an expanding wavefront and method of making same

DOEpatents

Barbee, Jr., Troy W.; Weihs, Timothy

1996-01-01

A multilayer structure has a selectable, (i) propagating reaction front velocity V, (ii) reaction initiation temperature attained by application of external energy and (iii) amount of energy delivered by a reaction of alternating unreacted layers of the multilayer structure. Because V is selectable and controllable, a variety of different applications for the multilayer structures are possible, including but not limited to their use as ignitors, in joining applications, in fabrication of new materials, as smart materials and in medical applications and devices. The multilayer structure has a period D, and an energy release rate constant K. Two or more alternating unreacted layers are made of different materials and separated by reacted zones. The period D is equal to a sum of the widths of each single alternating reaction layer of a particular material, and also includes a sum of reacted zone widths, t.sub.i, in the period D. The multilayer structure has a selectable propagating reaction front velocity V, where V=K(1/D.sup.n).times.[1-(t.sub.i /D)] and n is about 0.8 to 1.2.

Method for hydrocracking a heavy polynuclear hydrocarbonaceous feedstock in the presence of a molten metal halide catalyst

DOEpatents

Gorin, Everett

1981-01-01

A method for hydrocracking a heavy polynuclear hydrocarbonaceous feedstock to produce lighter hydrocarbon fuels by contacting the feedstock with hydrogen in the presence of a molten metal halide catalyst, the method comprising: mixing the feedstock with a heavy naphtha fraction which has an initial boiling point from about 100.degree. to about 160.degree. C. with a boiling point difference between the initial boiling point and the final boiling point of no more than about 50.degree. C. to produce a mixture; thereafter contacting the mixture with partially spent molten metal halide and hydrogen under temperature and pressure conditions so that the temperature is near the critical temperature of the heavy naphtha fraction; separating at least a portion of the heavy naphtha fraction and lighter hydrocarbon fuels from the partially spent molten metal halide, unreacted feedstock and reaction products; thereafter contacting the partially spent molten metal halide, unreacted feedstock and reaction products with hydrogen and fresh molten metal halide in a hydrocracking zone to produce additional lighter hydrocarbon fuels and separating at least a major portion of the lighter hydrocarbon fuels from the spent molten metal halide.

Sensitivity of PBX-9502 after ratchet growth

NASA Astrophysics Data System (ADS)

Mulford, Roberta N.; Swift, Damian

2012-03-01

Ratchet growth, or irreversible thermal expansion of the TATB-based plastic-bonded explosive PBX-9502, leads to increased sensitivity, as a result of increased porosity. The observed increase of between 3.1 and 3.5 volume percent should increase sensitivity according to the published Pop-plots for PBX-9502 [1]. Because of the variable size, shape, and location of the increased porosity, the observed sensitivity of the ratchet-grown sample is less than the sensitivity of a sample pressed to the same density. Modeling of the composite, using a quasi-harmonic EOS for unreacted components [2] and a robust porosity model for variations in density [3], allowed comparison of the initiation observed in experiment with behavior modeled as a function of density. An Arrhenius model was used to describe reaction, and the EOS for products was generated using the CHEETAH code [4]. A 1-D Lagrangian hydrocode was used to model in-material gauge records and the measured turnover to detonation, predicting greater sensitivity to density than observed for ratchet-grown material. This observation is consistent with gauge records indicating intermittent growth of the reactive wave, possibly due to inhomogeneities in density, as observed in SEM images of the material [5].

Reactive flow model development for PBXW-126 using modern nonlinear optimization methods

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

Murphy, M.J.; Simpson, R.L.; Urtiew, P.A.

1996-05-01

The initiation and detonation behavior of PBXW-126 has been characterized and is described. PBXW-126 is a composite explosive consisting of approximately equal amounts of RDX, AP, AL, and NTO with a polyurethane binder. The three term ignition and growth of reaction model parameters (ignition+two growth terms) have been found using nonlinear optimization methods to determine the {open_quotes}best{close_quotes} set of model parameters. The ignition term treats the initiation of up to 0.5{percent} of the RDX. The first growth term in the model treats the RDX growth of reaction up to 20{percent} reacted. The second growth term treats the subsequent growth ofmore » reaction of the remaining AP/AL/NTO. The unreacted equation of state (EOS) was determined from the wave profiles of embedded gauge tests while the JWL product EOS was determined from cylinder expansion test results. The nonlinear optimization code, NLQPEB/GLO, was used to determine the {open_quotes}best{close_quotes} set of coefficients for the three term Lee-Tarver ignition and growth of reaction model. {copyright} {ital 1996 American Institute of Physics.}« less

Estimation of the Reactive Flow Model Parameters for an Ammonium Nitrate-Based Emulsion Explosive Using Genetic Algorithms

NASA Astrophysics Data System (ADS)

Ribeiro, J. B.; Silva, C.; Mendes, R.

2010-10-01

A real coded genetic algorithm methodology that has been developed for the estimation of the parameters of the reaction rate equation of the Lee-Tarver reactive flow model is described in detail. This methodology allows, in a single optimization procedure, using only one experimental result and, without the need of any starting solution, to seek the 15 parameters of the reaction rate equation that fit the numerical to the experimental results. Mass averaging and the plate-gap model have been used for the determination of the shock data used in the unreacted explosive JWL equation of state (EOS) assessment and the thermochemical code THOR retrieved the data used in the detonation products' JWL EOS assessments. The developed methodology was applied for the estimation of the referred parameters for an ammonium nitrate-based emulsion explosive using poly(methyl methacrylate) (PMMA)-embedded manganin gauge pressure-time data. The obtained parameters allow a reasonably good description of the experimental data and show some peculiarities arising from the intrinsic nature of this kind of composite explosive.

A New Multiphase Equation of State for Composition B

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

Coe, Joshua Damon; Margevicius, Madeline Alma

2016-07-25

We describe the construction of a complete equation of state for the high explosive Composition B in its unreacted (inert) form, as well as chemical equilibrium calculations of its detonation products. The multiphase reactant EOS is of SESAME type, and was calibrated to ambient thermal and mechanical data, the shock initiation experiments of Dattelbaum, et al., and the melt line of trinitrotoluene (TNT).

Enzymatic Resolution of 1-Phenylethanol and Formation of a Diastereomer: An Undergraduate [superscript 1]H NMR Experiment to Introduce Chiral Chemistry

ERIC Educational Resources Information Center

Faraldos, Juan A.; Giner, Jos-Luis; Smith, David H.; Wilson, Mark; Ronhovde, Kyla; Wilson, Erin; Clevette, David; Holmes, Andrea E.; Rouhier, Kerry

2011-01-01

This organic laboratory experiment introduces students to stereoselective enzyme reactions, resolution of enantiomers, and NMR analysis of diastereomers. The reaction between racemic 1-phenylethanol and vinyl acetate in hexane to form an ester is catalyzed by acylase I. The unreacted alcohol is then treated with a chiral acid and the resulting…

Patient Stratification with a Novel Molecular Imaging Agent

DTIC Science & Technology

2014-12-01

policy or decision unless so designated by other documentation. REPORT DOCUMENTATION PAGE Form Approved OMB No. 0704-0188 Public reporting...ester of biotin and removed unreacted biotin with a desalting column. 0.7 biotins per protein were achieved as measured by matrix-assisted laser...translation to flow cytometry assays has been inconsistent. In addition to the next two advances (cellular panning and improved combinatorial library design

Simulation of the detonation process of an ammonium nitrate based emulsion explosive using the Lee-Tarver reactive flow model

NASA Astrophysics Data System (ADS)

Ribeiro, Jose; Silva, Cristovao; Mendes, Ricardo; Plaksin, Igor; Campos, Jose

2011-06-01

The use of emulsion explosives [EEx] for processing materials (compaction, welding and forming) requires the ability to perform detailed simulations of its detonation process [DP]. Detailed numerical simulations of the DP of this kind of explosives, characterized by having a finite reaction zone thickness, are thought to be suitable performed using the Lee-Tarver reactive flow model. In this work a real coded genetic algorithm methodology was used to estimate the 15 parameters of the reaction rate equation [RRE] of that model for a particular EEx. This methodology allows, in a single optimization procedure, using only one experimental result and without the need of any starting solution, to seek for the 15 parameters of the RRE that fit the numerical to the experimental results. Mass averaging and the Plate-Gap Model have been used for the determination of the shock data used in the unreacted explosive JWL EoS assessment and the thermochemical code THOR retrieved the data used in the detonation products JWL EoS assessment. The obtained parameters allow a good description of the experimental data and show some peculiarities arising from the intrinsic nature of this kind of composite explosive.

Geochemical Interaction of Middle Bakken Reservoir Rock and CO2 during CO2-Based Fracturing

NASA Astrophysics Data System (ADS)

Nicot, J. P.; Lu, J.; Mickler, P. J.; Ribeiro, L. H.; Darvari, R.

2015-12-01

This study was conducted to investigate the effects of geochemical interactions when CO2 is used to create the fractures necessary to produce hydrocarbons from low-permeability Middle Bakken sandstone. The primary objectives are to: (1) identify and understand the geochemical reactions related to CO2-based fracturing, and (2) assess potential changes of reservoir property. Three autoclave experiments were conducted at reservoir conditions exposing middle Bakken core fragments to supercritical CO2 (sc-CO2) only and to CO2-saturated synthetic brine. Ion-milled core samples were examined before and after the reaction experiments using scanning electron microscope, which enabled us to image the reaction surface in extreme details and unambiguously identify mineral dissolution and precipitation. The most significant changes in the reacted rock samples exposed to the CO2-saturated brine is dissolution of the carbonate minerals, particularly calcite which displays severely corrosion. Dolomite grains were corroded to a lesser degree. Quartz and feldspars remained intact and some pyrite framboids underwent slight dissolution. Additionally, small amount of calcite precipitation took place as indicated by numerous small calcite crystals formed at the reaction surface and in the pores. The aqueous solution composition changes confirm these petrographic observations with increase in Ca and Mg and associated minor elements and very slight increase in Fe and sulfate. When exposed to sc-CO2 only, changes observed include etching of calcite grain surface and precipitation of salt crystals (halite and anhydrite) due to evaporation of residual pore water into the sc-CO2 phase. Dolomite and feldspars remained intact and pyrite grains were slightly altered. Mercury intrusion capillary pressure tests on reacted and unreacted samples shows an increase in porosity when an aqueous phase is present but no overall porosity change caused by sc-CO2. It also suggests an increase in permeability in the former case and possibly a minor decrease in the latter case.

Evolution of ore deposits on terrestrial planets

NASA Astrophysics Data System (ADS)

Burns, R. G.

Ore deposits on terrestrial planets materialized after core formation, mantle evolution, crustal development, interactions of surface rocks with the hydrosphere and atmosphere, and, where life exists on a planet, the involvement of biological activity. Core formation removed most of the siderophilic and chalcophilic elements, leaving mantles depleted in many of the strategic and noble metals relative to their chondritic abundances. Basaltic magma derived from partial melting of the mantle transported to the surface several metals contained in immiscible silicate and sulfide melts. Magmatic ore deposits were formed during cooling, fractional crystallization and density stratification from the basaltic melts. Such ore deposits found in earth's Archean rocks were probably generated during early histories of all terrestrial planets and may be the only types of igneous ores on Mars. Where plate tectonic activity was prevalent on a terrestrial planet, temporal evolution of ore deposits took place. Repetitive episodes of subduction modified the chemical compositions of the crust and upper mantles, leading to porphyry copper and molybdenum ores in calc-alkaline igneous rocks and granite-hosted tin and tungsten deposits. Such plate tectonic-induced mineralization in relatively young igneous rocks on earth may also have produced hydrothermal ore deposits on Venus in addition to the massive sulfide and cumulate chromite ores associated with Venusian mafic igneous rock. Sedimentary ore deposits resulting from mechanical and chemical weathering in reducing atmospheres in Archean earth included placer deposits (e.g., uraninite, gold, pyrite ores). Chromite, ilmenite, and other dense unreactive minerals could also be present on channel floors and in valley networks on Mars, while banded iron formations might underlie the Martian northern plains regions. As oxygen evolved in earth's atmosphere, so too did oxide ores. By analogy, gossans above sulfide ores probably occur on Mars, but not submarine ferromanganese nodules and crusts which have precipitated in oxygenated seawater on earth.

Evolution of ore deposits on terrestrial planets

NASA Technical Reports Server (NTRS)

Burns, R. G.

1991-01-01

Ore deposits on terrestrial planets materialized after core formation, mantle evolution, crustal development, interactions of surface rocks with the hydrosphere and atmosphere, and, where life exists on a planet, the involvement of biological activity. Core formation removed most of the siderophilic and chalcophilic elements, leaving mantles depleted in many of the strategic and noble metals relative to their chondritic abundances. Basaltic magma derived from partial melting of the mantle transported to the surface several metals contained in immiscible silicate and sulfide melts. Magmatic ore deposits were formed during cooling, fractional crystallization and density stratification from the basaltic melts. Such ore deposits found in earth's Archean rocks were probably generated during early histories of all terrestrial planets and may be the only types of igneous ores on Mars. Where plate tectonic activity was prevalent on a terrestrial planet, temporal evolution of ore deposits took place. Repetitive episodes of subduction modified the chemical compositions of the crust and upper mantles, leading to porphyry copper and molybdenum ores in calc-alkaline igneous rocks and granite-hosted tin and tungsten deposits. Such plate tectonic-induced mineralization in relatively young igneous rocks on earth may also have produced hydrothermal ore deposits on Venus in addition to the massive sulfide and cumulate chromite ores associated with Venusian mafic igneous rock. Sedimentary ore deposits resulting from mechanical and chemical weathering in reducing atmospheres in Archean earth included placer deposits (e.g., uraninite, gold, pyrite ores). Chromite, ilmenite, and other dense unreactive minerals could also be present on channel floors and in valley networks on Mars, while banded iron formations might underlie the Martian northern plains regions. As oxygen evolved in earth's atmosphere, so too did oxide ores. By analogy, gossans above sulfide ores probably occur on Mars, but not submarine ferromanganese nodules and crusts which have precipitated in oxygenated seawater on earth.

Nickel-Catalyzed Addition-Type Alkenylation of Unactivated, Aliphatic C-H Bonds with Alkynes: A Concise Route to Polysubstituted γ-Butyrolactones.

PubMed

Li, Mingliang; Yang, Yudong; Zhou, Danni; Wan, Danyang; You, Jingsong

2015-05-15

Through the nickel-catalyzed chelation-assisted C-H bond activation strategy, the addition-type alkenylation of unreactive β-C(sp(3))-H bonds of aliphatic amides with internal alkynes is developed for the first time to produce γ,δ-unsaturated carboxylic amide derivatives. The resulting alkenylated products can further be transformed into polysubstituted γ-butyrolactones with pyridinium chlorochromate (PCC).

The United States Army Medical Department Journal. July-September 2010

DTIC Science & Technology

2010-09-01

or Flail chest Respiratory rate < 10 or > 29 with distress, or Bilateral femur fractures GCS motor score  5 Unstable pelvis or suspected...significant pelvic fracture Paralysis or evidence of spinal cord injury Amputation above the wrist or ankle Significant burns Unreactive or...emphasis is on the individual who is failing to show signs of improvement in the immediate postinjury phase. Suspected skull fracture , especially with

Passivation Of High-Temperature Superconductors

NASA Technical Reports Server (NTRS)

Vasquez, Richard P.

1991-01-01

Surfaces of high-temperature superconductors passivated with native iodides, sulfides, or sulfates formed by chemical treatments after superconductors grown. Passivating compounds nearly insoluble in and unreactive with water and protect underlying superconductors from effects of moisture. Layers of cuprous iodide and of barium sulfate grown. Other candidate passivating surface films: iodides and sulfides of bismuth, strontium, and thallium. Other proposed techniques for formation of passivating layers include deposition and gas-phase reaction.

Three-Step Synthesis of Chiral Spirocyclic Oxaphospholenes.

PubMed

Berton, Jan K E T; Salemi, Hadi; Pirat, Jean-Luc; Virieux, David; Stevens, Christian V

2017-12-01

Chiral spirocylic oxaphospholenes were prepared in a three-step sequence from chiral pool terpenoid ketones. After addition of a metal acetylide, the resulting propargyl alcohols were converted stereoselectively into their allenylphosphonate counterparts. In the last step, they were conveniently cyclized into spirooxaphospholenes with one equivalent of iodine without purification. When starting from sterically hindered terpenes, allenylphosphonates were also easily obtained but showed to be unreactive or rearranged under these cyclization conditions.

Hugoniot and Properties of Diesel Fuel Used in ANFO

NASA Astrophysics Data System (ADS)

Robbins, David L.; Sheffield, Stephen A.; Dattelbaum, Dana M.; Stahl, David B.; Shock; Detonation Physics Team

2011-06-01

One of the more common ammonium nitrate (AN) based explosive is called ANFO, which is a mixture of AN prills and diesel fuel oil (FO) in a 94:6 ratio by weight. Since there is no available shock data on FO, a series of shock compression experiments have been completed on a two-stage light gas gun with a sealed liquid target cell. We have chosen a representative grade of fuel oil (diesel) for our experiments. Knowing that all FO is not the same, we decided to study this material, assuming it is representative. Density and sound speed data were measured, and used to predict the unreacted Hugoniot. The data were found to compare well with a universal liquid Hugoniot. In-situ magnetic gauges in the target cell were used to measure the particle velocity, shock velocity, and shock wave profiles. Impact velocities ranged from 1.5 to 3.2 km/s generating shocked pressures between 3 and 17 GPa, depending on the impactor material being used. The FO Hugoniot is being used in conjunction with ongoing ammonium nitrate (AN) shock compression measurements to further understand the unreacted Hugoniot of the ANFO mixture. Additionally, wave profiles and the Hugoniot are analyzed to determine if shock-induced reaction occurs, within the pressure range studied.

An Unconventional Redox Cross Claisen Condensation-Aromatization of 4-Hydroxyprolines with Ketones.

PubMed

Tang, Mi; Sun, Rengwei; Li, Hao; Yu, Xinhong; Wang, Wei

2017-08-18

Reaction of α-amino acids, particularly prolines and their derivatives with carbonyl compounds via decarboxylative redox process, is a viable strategy for synthesis of structurally diverse nitrogen centered heterocyclics. In these processes, the decarboxylation is the essential driving force for the processes. The realization of the redox process without decarboxylation may offer an opportunity to explore new reactions. Herein, we report the discovery of an unprecedented redox Claisen-type condensation aromatization cascade reaction of 4-substituted 4-hydroxyproline and its esters with unreactive ketones. We found that the use of propionic acid as a catalyst and a co-solvent can change the reaction course. The commonly observed redox decarboxylation and aldol condensation reactions are significantly minimized. Moreover, unreactive ketones can effectively participate in the Claisen condensation reaction. The new reactivity enables a redox cyclization via an unconventional Claisen-type condensation reaction of in situ formed enamine intermediates from ketone precursors with 4-substituted 4-hydroxyproline and its esters as electrophilic acylation partners. Under the reaction conditions, the cascade process proceeds highly regio- and stereoselectively to afford highly synthetically and biologically valued cis-2,3-dihydro-1H-pyrrolizin-1-ones with a broad substrate scope in efficient 'one-pot' operation, whereas such structures generally require multiple steps.

Distinguishing Biologically Relevant Hexoses by Water Adduction to the Lithium-Cationized Molecule.

PubMed

Campbell, Matthew T; Chen, Dazhe; Wallbillich, Nicholas J; Glish, Gary L

2017-10-03

A method to distinguish the four most common biologically relevant underivatized hexoses, d-glucose, d-galactose, d-mannose, and d-fructose, using only mass spectrometry with no prior separation/derivatization step has been developed. Electrospray of a solution containing hexose and a lithium salt generates [Hexose+Li] + . The lithium-cationized hexoses adduct water in a quadrupole ion trap. The rate of this water adduction reaction can be used to distinguish the four hexoses. Additionally, for each hexose, multiple lithiation sites are possible, allowing for multiple structures of [Hexose+Li] + . Electrospray produces at least one structure that reacts with water and at least one that does not. The ratio of unreactive lithium-cationized hexose to total lithium-cationized hexose is unique for the four hexoses studied, providing a second method for distinguishing the isomers. Use of the water adduction reaction rate or the unreactive ratio provides two separate methods for confidently (p ≤ 0.02) distinguishing the most common biologically relevant hexoses using only femtomoles of hexose. Additionally, binary mixtures of glucose and fructose were studied. A calibration curve was created by measuring the reaction rate of various samples with different ratios of fructose and glucose. The calibration curve was used to accurately measure the percentage of fructose in three samples of high fructose corn syrup (<4% error).

Formation Dynamics of CH3NH3PbI3 Perovskite Following Two-Step Layer Deposition.

PubMed

Patel, Jay B; Milot, Rebecca L; Wright, Adam D; Herz, Laura M; Johnston, Michael B

2016-01-07

Hybrid metal-halide perovskites have emerged as a leading class of semiconductors for optoelectronic devices because of their desirable material properties and versatile fabrication methods. However, little is known about the chemical transformations that occur in the initial stages of perovskite crystal formation. Here we follow the real-time formation dynamics of MAPbI3 from a bilayer of lead iodide (PbI2) and methylammonium iodide (MAI) deposited through a two-step thermal evaporation process. By lowering the substrate temperature during deposition, we are able to initially inhibit intermixing of the two layers. We subsequently use infrared and visible light transmission, X-ray diffraction, and photoluminescence lifetime measurements to reveal the room-temperature transformations that occur in vacuum and ambient air, as MAI diffuses into the PbI2 lattice to form MAPbI3. In vacuum, the transformation to MAPbI3 is incomplete as unreacted MAI is retained in the film. However, exposure to moist air allows for conversion of the unreacted MAI to MAPbI3, demonstrating that moisture is essential in making MAI more mobile and thus aiding perovskite crystallization. These dynamic processes are reflected in the observed charge-carrier lifetimes, which strongly fluctuate during periods of large ion migration but steadily increase with improving crystallinity.

Factors associated with positive direct antiglobulin tests in pretransfusion patients: a case-control study.

PubMed

Toy, P T; Chin, C A; Reid, M E; Burns, M A

1985-01-01

During routine pretransfusion testing, the presence of IgG on patient red cells is suggested by a positive autocontrol and confirmed by a positive direct antiglobulin test (DAT) using monospecific anti-IgG sera. Most IgG on patient red cells detected in this manner are of unknown etiology. We recently showed an association between elevated serum globulin levels and positive DAT with unreactive eluate in patients with acquired immunodeficiency syndrome (AIDS). In the present study, we wished to determine whether elevated serum globulin levels contribute to some of the positive DAT encountered in pretransfusion testing of patients without AIDS. 76 patients with positive DAT were compared with 90 controls without IgG detected on their red cells during pretransfusion testing. The rate of elevated serum globulin levels was 75% in positive DAT cases versus 29% in controls (p less than 0.001); the odds ratio was 7.6. Elevated blood urea nitrogen levels occurred in 42% of cases versus 19% of controls (p less than 0.025); the odds ratio was 3.1. Cases and controls were not significantly different with regard to age, sex, race, quinidine usage, or hyperalimentation. Elevated serum globulin and blood urea nitrogen levels are significantly associated with a positive DAT with unreactive eluate in pretransfusion patients.

ZrO2 film interfaces with Si and SiO2

NASA Astrophysics Data System (ADS)

Lopez, C. M.; Suvorova, N. A.; Irene, E. A.; Suvorova, A. A.; Saunders, M.

2005-08-01

The interface formed by the thermal oxidation of sputter-deposited Zr metal onto Si(100)- and SiO2-coated Si(100) wafers was studied in situ and in real time using spectroscopic ellipsometry (SE) in the 1.5-4.5 photon energy range and mass spectrometry of recoiled ions (MSRI). SE yielded optical properties for the film and interface and MSRI yielded film and interface composition. An optical model was developed and verified using transmission electron microscopy. Interfacial reaction of the ZrO2 was observed for both substrates, with more interaction for Si substrates. Equivalent oxide thicknesses and interface trap levels were determined on capacitors with lower trap levels found on samples with a thicker SiO2 underlayer. In addition to the optical properties for the intermixed interface layer, the optical properties for Zr metal and unreacted ZrO2 are also reported.

Mathematical model of the stack region of a commercial lead blast furnace

NASA Astrophysics Data System (ADS)

Hussain, Mansoor M.; Morris, David R.

1989-02-01

A mathematical model of the stack region of a commercial lead blast furnace is presented. The mass and heat balance equations were solved in conjunction with the kinetic expression for the rate of re-duction of the solids based upon the grain model, utilizing the measured structural parameters of the sinter feed and the measured kinetic parameters. Satisfactory agreement has been achieved between the computed and experimental axial profiles of gas and solids temperature, pressure, gas composi-tion, and condensed phases composition. The model is used to predict the effects of changes of bed voidage, physical properties, and chemical constitution of the sinter and the effects of gas and solids flow maldistribution on the operation of the furnace. In particular, it is noted that for a sinter with the typical physical properties of a commercial sinter, improved conversion in the upper reaches of the furnace is predicted when lead is in the form of lead oxide rather than as the relatively unreac-tive lead calcium silicates. The improved conversion is accompanied by better utilization of carbon monoxide. Further, the model suggests that the formation of scaffolds in the furnace may be due to flow maldistribution causing high temperatures in the vicinity of the furnace wall.

Organic nitrogen chemistry during low-grade metamorphism

USGS Publications Warehouse

Boudou, J.-P.; Schimmelmann, A.; Ader, M.; Mastalerz, Maria; Sebilo, M.; Gengembre, L.

2008-01-01

Most of the organic nitrogen (Norg) on Earth is disseminated in crustal sediments and rocks in the form of fossil nitrogen-containing organic matter. The chemical speciation of fossil Norg within the overall molecular structure of organic matter changes with time and heating during burial. Progressive thermal evolution of organic matter involves phases of enhanced elimination of Norg and ultimately produces graphite containing only traces of nitrogen. Long-term chemical and thermal instability makes the chemical speciation of Norg a valuable tracer to constrain the history of sub-surface metamorphism and to shed light on the subsurface biogeochemical nitrogen cycle and its participating organic and inorganic nitrogen pools. This study documents the evolutionary path of Norg speciation, transformation and elimination before and during metamorphism and advocates the use of X-ray photoelectron spectroscopy (XPS) to monitor changes in Norg speciation as a diagnostic tool for organic metamorphism. Our multidisciplinary evidence from XPS, stable isotopes, traditional quantitative coal analyses, and other analytical approaches shows that at the metamorphic onset Norg is dominantly present as pyrrolic and pyridinic nitrogen. The relative abundance of nitrogen substituting for carbon in condensed, partially aromatic systems (where N is covalently bonded to three C atoms) increases exponentially with increasing metamorphic grade, at the expense of pyridinic and pyrrolic nitrogen. At the same time, much Norg is eliminated without significant nitrogen isotope fractionation. The apparent absence of Rayleigh-type nitrogen isotopic fractionation suggests that direct thermal loss of nitrogen from an organic matrix does not serve as a major pathway for Norg elimination. Instead, we propose that hot H, O-containing fluids or some of their components gradually penetrate into the carbonaceous matrix and eliminate Norg along a progressing reaction front, without causing nitrogen isotope fractionation in the residual Norg in the unreacted core of the carbonaceous matrix. Before the reaction front can reach the core, an increasing part of core Norg chemically stabilizes in the form of nitrogen atoms substituting for carbon in condensed, partially aromatic systems forming graphite-like structural domains with delocalized ??-electron systems (nitrogen atoms substituting for "graphitic" carbon in natural metamorphic organic matter). Thus, this nitrogen species with a conservative isotopic composition is the dominant form of residual nitrogen at higher metamorphic grade. ?? 2007 Elsevier Ltd. All rights reserved.

Detection of Nitric Oxide by Electron Paramagnetic Resonance Spectroscopy

PubMed Central

Hogg, Neil

2010-01-01

Electron paramagnetic resonance (EPR) spectroscopy has been used in a number of ways to study nitric oxide chemistry and biology. As an intrinsically stable and relatively unreactive diatomic free radical, the challenges for detecting this species by EPR are somewhat different than those for transient radical species. This review gives a basic introduction to EPR spectroscopy and discusses its uses to assess and quantify nitric oxide formation in biological systems. PMID:20304044

Antimalarial Cyclic Peroxide Lactones.

DTIC Science & Technology

1987-05-31

a solution of 4 (573 mg) in acetone (10 mL, purified by addition of KMnO4 followed by distillation) was added dropwise Jones’ reagent at 50C. After...30 min. the mixture was further added dropwise with stirring at room temperature until the absence of the ornngish yellow color of the reagent ...Addition of small amount of water to dissolve the precipitate was needed. The unreacted reagent was destroyed by addition of isopropanol. The resulting

Method for producing nuclear fuel

DOEpatents

Haas, Paul A.

1983-01-01

Nuclear fuel is made by contacting an aqueous solution containing an actinide salt with an aqueous solution containing ammonium hydroxide, ammonium oxalate, or oxalic acid in an amount that will react with a fraction of the actinide salt to form a precipitate consisting of the hydroxide or oxalate of the actinide. A slurry consisting of the precipitate and solution containing the unreacted actinide salt is formed into drops which are gelled, calcined, and pressed to form pellets.

A numerical study of three-dimensional flame propagation over thin solids in purely forced concurrent flow including gas-phase radiation

NASA Astrophysics Data System (ADS)

Feier, Ioan I., Jr.

The effect of flame radiation on concurrent-flow flame spread over a thin solid sample of finite width in a low-speed wind tunnel is modeled using three-dimensional full Navier-Stokes equations and three-dimensional flame radiation transfer equations. The formulation includes the conservation of mass, momentum, energy, and species: fuel vapor, oxygen, carbon dioxide and water vapor. The SN discrete ordinates method is used to solve the radiation transfer equation with a mean absorption coefficient kappa = Ckappa p, where kappap is the Planck mean absorption coefficient of the gas mixture. The varying parameter C has a value between 0 and 1; C represents the strength of flame radiation. In addition, the solid fuel absorptivity alpha is varied to ascertain the effect of flame radiation heat feedback to the solid. The flow tunnel modeled has a dimension of 10x10x30 cm, the solid fuel has a width of 6-cm with two 1-cm inert strips as edges. Incoming forced flow velocity (5 cm/s) of 21% oxygen is assumed. For comparison with the three-dimensional results, corresponding two-dimensional computations are also performed. Detailed spatial flame profiles, solid surface profiles, and heat fluxes are presented. Increasing the flame radiation strength decreases the flame length. Although flame radiation provides an additional heat transfer mechanism to preheat the solid, it is insufficient to offset the decreased convective heating due to the shorter flame; the net effect is a slower spread rate. The percentage of unreacted fuel vapor that escapes from the flame is under 2%. It is theorized that some of the pyrolyzed fuel vapor diffuses sideway and reacts at the flame edges. A radiative energy balance is analyzed also. Flame radiative feedback to the solid plays a more important role in two-dimensional flames. With high solid fuel absorptivity, a peak in the flame spread rate occurs at an intermediate value of flame radiation strength---due to the competition between two mechanisms: gas-radiation heat loss weakening the flame and the radiative feedback boosting the solid pyrolysis. Two-dimensional calculations suggest that a larger percentage of unreacted fuel vapor can escape from the flame when the flame radiation strength is high.

Control of trace element toxicity in Chesapeake Bay by dominant phytoplankton. Final report

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

Sanders, J.G.; Riedel, G.F.; Connell, D.B.

1992-02-01

Copper (Cu) and arsenic (As), but not chromium (Cr), underwent large changes in chemical form during the development and senescence of natural phytoplankton blooms. In general, the percentage of organically-associated Cu was lowest during periods of rapid cell growth and highest during periods of cell decline or periods of dominance by red tide-forming dinoflagellates, a pattern tied to periods of release of organic compounds during either bloom senescence or during unusual algal blooms. Chromium, in contrast, was unreactive. The end result of biological mediation of both As and Cu was to increase the proportion of the element present in amore » less toxic form, at least to phytoplankton, thus affecting the potential toxicity of either element to a natural ecosystem. The results of the project provide a framework for the construction of general predictive models of likely trace element behavior in productive ecosystems and provide a conceptual theory of how such toxic contaminants may affect ecosystem structure and food webs within Chesapeake Bay. Predictive models of ecosystem impact will require further experimentation with multi-trophic level food chains.« less

Oxygen Consumption by Red Wines. Part I: Consumption Rates, Relationship with Chemical Composition, and Role of SO₂.

PubMed

Ferreira, Vicente; Carrascon, Vanesa; Bueno, Mónica; Ugliano, Maurizio; Fernandez-Zurbano, Purificación

2015-12-30

Fifteen Spanish red wines extensively characterized in terms of SO2, color, antioxidant indexes, metals, and polyphenols were subjected to five consecutive sensor-controlled cycles of air saturation at 25 °C. Within each cycle, O2 consumption rates cannot be interpreted by simple kinetic models. Plots of cumulated consumed O2 made it possible to define a fast and highly wine-dependent initial O2 consumption rate and a second and less variable average O2 consumption rate which remains constant in saturations 2 to 5. Both rates have been satisfactorily modeled, and in both cases they were independent of Fe and SO2 and highly dependent on Cu levels. Average rates were also related to Mn, pH, Folin, protein precipitable proanthocyanidins (PPAs), and polyphenolic profile. Initial rates were strong and negatively correlated to SO2 consumption, indicating that such an initial rate is either controlled by an unknown antioxidant present in some wines or affected by a poor real availability of SO2. Remaining unreacted SO2 is proportional to initial combined SO2 and to final free acetaldehyde.

GrowYourIC: an open access Python code to facilitate comparison between kinematic models of inner core evolution and seismic observations

NASA Astrophysics Data System (ADS)

Lasbleis, M.; Day, E. A.; Waszek, L.

2017-12-01

The complex nature of inner core structure has been well-established from seismic studies, with heterogeneities at various length scales, both radially and laterally. Despite this, no geodynamic model has successfully explained all of the observed seismic features. To facilitate comparisons between seismic observations and geodynamic models of inner core growth we have developed a new, open access Python tool - GrowYourIC - that allows users to compare models of inner core structure. The code allows users to simulate different evolution models of the inner core, with user-defined rates of inner core growth, translation and rotation. Once the user has "grown" an inner core with their preferred parameters they can then explore the effect of "their" inner core's evolution on the relative age and growth rate in different regions of the inner core. The code will convert these parameters into seismic properties using either built-in mineral physics models, or user-supplied ones that calculate these seismic properties with users' own preferred mineralogical models. The 3D model of isotropic inner core properties can then be used to calculate the predicted seismic travel time anomalies for a random, or user-specified, set of seismic ray paths through the inner core. A real dataset of inner core body-wave differential travel times is included for the purpose of comparing user-generated models of inner core growth to actual observed travel time anomalies in the top 100km of the inner core. Here, we explore some of the possibilities of our code. We investigate the effect of the limited illumination of the inner core by seismic waves on the robustness of kinematic model interpretation. We test the impact on seismic differential travel time observations of several kinematic models of inner core growth: fast lateral translation; slow differential growth; and inner core super-rotation. We find that a model of inner core evolution incorporating both differential growth and slow super-rotation is able to recreate some of the more intricate details of the seismic observations. Specifically we are able to "grow" an inner core that has an asymmetric shift in isotropic hemisphere boundaries with increasing depth in the inner core.

Modeling Hemispheric Detonation Experiments in 2-Dimensions

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

Howard, W M; Fried, L E; Vitello, P A

2006-06-22

Experiments have been performed with LX-17 (92.5% TATB and 7.5% Kel-F 800 binder) to study scaling of detonation waves using a dimensional scaling in a hemispherical divergent geometry. We model these experiments using an arbitrary Lagrange-Eulerian (ALE3D) hydrodynamics code, with reactive flow models based on the thermo-chemical code, Cheetah. The thermo-chemical code Cheetah provides a pressure-dependent kinetic rate law, along with an equation of state based on exponential-6 fluid potentials for individual detonation product species, calibrated to high pressures ({approx} few Mbars) and high temperatures (20000K). The parameters for these potentials are fit to a wide variety of experimental data,more » including shock, compression and sound speed data. For the un-reacted high explosive equation of state we use a modified Murnaghan form. We model the detonator (including the flyer plate) and initiation system in detail. The detonator is composed of LX-16, for which we use a program burn model. Steinberg-Guinan models5 are used for the metal components of the detonator. The booster and high explosive are LX-10 and LX-17, respectively. For both the LX-10 and LX-17, we use a pressure dependent rate law, coupled with a chemical equilibrium equation of state based on Cheetah. For LX-17, the kinetic model includes carbon clustering on the nanometer size scale.« less

Crystal growth of YBCO coated conductors by TFA MOD method

NASA Astrophysics Data System (ADS)

Yoshizumi, M.; Nakanishi, T.; Matsuda, J.; Nakaoka, K.; Sutoh, Y.; Izumi, T.; Shiohara, Y.

2008-09-01

The crystal growth mechanism of TFA (trifluoroacetates)-MOD (metal organic deposition) derived YBa 2Cu 3O y has been investigated to understand the process for higher production rates of the conversion process. YBCO films were prepared by TFA-MOD on CeO 2/Gd 2Zr 2O 7/Hastelloy C276 substrates. The growth rates of YBCO derived from Y:Ba:Cu = 1:2:3 and 1:1.5:3 starting solutions were investigated by XRD and TEM analyses. YBCO growth proceeds in two steps of the epitaxial one from the substrate and solid state reaction. The overall growth rate estimated from the residual amounts of BaF 2 with time measured by XRD is proportional to a square root of P(H 2O). The trend was independent of the composition of starting solutions, however, the growth rate obtained from the 1:1.5:3 starting solutions was high as twice as that of 1:2:3, which could not be explained by the composition of BaF 2 included in the precursor films. On the other hand, the growth rate measured from the thickness of the YBCO quenched film at the same process time showed no difference between the samples of 1:2:3 and 1:1.5:3. The epitaxial growth rate of 1:1.5:3 was also the same as the overall growth rate of that, which means there was no solid state reaction to form YBCO after the epitaxial growth. The YBCO growth mechanism was found to be as follows; YBCO crystals nucleate at the surface of the substrate and epitaxially grow into the precursor by layer-by-layer by a manner with trapping unreacted particles. The amounts of YBCO and the unreacted particles trapped in the YBCO film are independent of the composition of the starting solution in this step. Unreacted particles react with each other to form YBCO and pores by solid state reaction as long as there is BaF 2 left in the film. The Ba-poor starting solution gives little BaF 2 left in the film and so the solid state reaction is completed within a short time, resulting in the fast overall growth rate.

Localization and characterization of carbohydrates in adrenal medullary cells

PubMed Central

1975-01-01

The localization and characterization of carbohydrates in adrenal medullary cells were studied by histochemical and cytochemical methods. Adrenaline (A)-and noradrenaline (N)-storing granules were argentaphobic when ultrathin sections of Araldite-embedded medullae were stained according to the periodic acid-thiocarbohydrazide-silver proteinate technique of Thiery. A small amount of glycogen in the form of single beta-particles as well as lysosomes were, however, visualized by this technique. The entire core of the A granules was markedly positive after ultrathin sections of glutaraldehyde-fixed, glycol methacrylate (GMA)-embedded medullae were stained with phosphotungstic acid (PTA) at low pH (0.3). The N granules, in contrast, were mostly unreactive. In the A cells, PTA stained a large part of the Golgi complex, whereas in the N cells the Golgi complex was mostly unstained. In both cell types, the cell coat, lysosomes, and multivesticular bodies reacted to PTA. The periodic acid-Schiff (PAS) technique showed A but not N granules in semithin sections of GMA- or Araldite-embedded medullae. The PTA and PAS stains were abolished by acetylation, restored by saponification, unchanged by methylation, and greatly diminished by sulfation. In ultrathin sections of GMA- or Araldite- embedded medullae incubated with colloidal iron according to various techniques, the cell coat and lysosomes of both cell types were stained, unlike all the other cytoplasmic organelles. These results indicate that A granules and the Golgi complex of A cells, unlike the same structures in N cells, are rich in glycoproteins which are probably not acidic. PMID:47862

Mesoscale Modeling of LX-17 Under Isentropic Compression

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

Springer, H K; Willey, T M; Friedman, G

Mesoscale simulations of LX-17 incorporating different equilibrium mixture models were used to investigate the unreacted equation-of-state (UEOS) of TATB. Candidate TATB UEOS were calculated using the equilibrium mixture models and benchmarked with mesoscale simulations of isentropic compression experiments (ICE). X-ray computed tomography (XRCT) data provided the basis for initializing the simulations with realistic microstructural details. Three equilibrium mixture models were used in this study. The single constituent with conservation equations (SCCE) model was based on a mass-fraction weighted specific volume and the conservation of mass, momentum, and energy. The single constituent equation-of-state (SCEOS) model was based on a mass-fraction weightedmore » specific volume and the equation-of-state of the constituents. The kinetic energy averaging (KEA) model was based on a mass-fraction weighted particle velocity mixture rule and the conservation equations. The SCEOS model yielded the stiffest TATB EOS (0.121{micro} + 0.4958{micro}{sup 2} + 2.0473{micro}{sup 3}) and, when incorporated in mesoscale simulations of the ICE, demonstrated the best agreement with VISAR velocity data for both specimen thicknesses. The SCCE model yielded a relatively more compliant EOS (0.1999{micro}-0.6967{micro}{sup 2} + 4.9546{micro}{sup 3}) and the KEA model yielded the most compliant EOS (0.1999{micro}-0.6967{micro}{sup 2}+4.9546{micro}{sup 3}) of all the equilibrium mixture models. Mesoscale simulations with the lower density TATB adiabatic EOS data demonstrated the least agreement with VISAR velocity data.« less

Simulated countercurrent moving bed chromatographic reactor and method for use thereof

DOEpatents

Carr, Robert W.; Tonkovich, Anna Lee Y.

2001-01-01

A method and apparatus for continuously reacting a feed gas to form a product and separating the product from unreacted feed gas is provided. The apparatus includes a plurality of compartments and means for connecting the compartments in a series, with the last compartment in the series being connected to the first compartment in the series to provide a closed loop. Each compartment may include an upstream reaction zone and a downstream separation zone.

Method for producing oxygen from lunar materials

NASA Technical Reports Server (NTRS)

Sullivan, Thomas A. (Inventor)

1993-01-01

This invention is related to producing oxygen from lunar or Martian materials, particularly from lunar ilmenite in situ. The process includes producing a slurry of the minerals and hot sulfuric acid, the acid and minerals reacting to form sulfates of the metal. Water is added to the slurry to dissolve the minerals into an aqueous solution, the first aqueous solution is separated from unreacted minerals from the slurry, and the aqueous solution is electrolyzed to produce the metal and oxygen.

Forming metal-intermetallic or metal-ceramic composites by self-propagating high-temperature reactions

DOEpatents

Rawers, James C.; Alman, David E.; Petty, Jr., Arthur V.

1996-01-01

Industrial applications of composites often require that the final product have a complex shape. In this invention intermetallic or ceramic phases are formed from sheets of unreacted elemental metals. The process described in this invention allows the final product shape be formed prior to the formation of the composite. This saves energy and allows formation of shaped articles of metal-intermetallic composites composed of brittle materials that cannot be deformed without breaking.

A Self-Assembling Protein Hydrogel Technology for Enzyme Incorporation onto Electrodes in Biofuel Cells

DTIC Science & Technology

2015-10-26

amount of the product J and the unreacted N/C in the same lane. Figure 2. Crystal structure of Tip1-Tip1lig ( PDB code: 3IDW). (A...stability (able to retain its trimeric quaternary structure in solutions after boiling in SDS buffer). We reasoned that its very strong...109, 10 is a flexible polyanionic linker and was incorporated as the midblock for water retention. Mixing of the two protein block copolymers

Integrated Chemical Fuel Microprocessor for Power Generation in MEMS Applications

DTIC Science & Technology

2005-07-01

unreacted fuels (ammonia and hydrocarbon) and carbon monoxide that could otherwise adversely affect hydrogen Proton Exchange Membrane ( PEM ) fuel cell ...High hydrogen purity is required in a variety of processes, from the microelectronics industry to PEM fuel cells . For portable-power applications, it...Geff Ffuel Heat Load Complexity Li-Ion Batteries 330 140 1.2 W Low Carnot Engines *7,878 13,750 10% 50% 395 690 10 W Low Fuel Cells : PEM /Hydride #2,382

Mesoscale Modeling of Deflagration-Induced Deconsolidation in Polymer-Bonded Explosives

NASA Astrophysics Data System (ADS)

Springer, H. Keo; Reaugh, J. E.; Glascoe, E. A.; Kercher, J. R.; Friedman, G.

2011-06-01

Initially intact polymer-bonded explosives can transition from conductive burning to more violent convective burning via rapid deconsolidation at higher pressures. The pressure-dependent infiltration of cracks and pores, i.e., damage, by product gases at the burn-front is a key step in the transition to convective burning. However, the relative influence of pre-existing damage and deflagration-induced damage on the transition to convective burning is not well understood. The objective of this study is to investigate the role of explosive constituent properties, microstructure, and deflagration velocity on deconsolidation. We performed simulations using the multi-physics hydrocode, ALE3D. HMX was used as the model energetic grain. We used a JWL form for the unreacted and reacted equation-of-state of the HMX. Simplified strength and failure models were used for the HMX and the binder. The propensity for deconsolidation increased with increasing grain volume fraction, increasing porosity, decreasing binder strength, and increasing deflagration velocity. These studies are important because they enable the development of deflagration-induced damage models, as well as the design of inherently safer explosives. This work performed under the auspices of the U.S. DOE by LLNL under Contract DE-AC52-07NA27344. This work was funded by the Joint DoD/DOE Munitions Technology Development Program.

Production of Biodiesel Using a Membrane Reactor to Minimize Separation Cost

NASA Astrophysics Data System (ADS)

Olagunju, O. A.; Musonge, P.

2017-07-01

This study investigates the performance of a packed bed membrane reactor in the transesterification process of triglycerides to methyl ester using soyabean oil as feedstock. A TiO2/Al2O3 ceramic microporous membrane was selected due to its chemical inert nature and thermal stability to selectively remove the product from the reaction medium. CaO impregnated on the surface of activated carbon was packed into the membrane and acted as catalyst. The synthesized catalyst had a total loading of 40.50 % and was characterized by XRD and temperature-programmed desorption of CO2 (CO2-TPD). The crude biodiesel produced was micro-filtered by the ceramic membrane with a pore size of 0.02 μm to retain the unreacted oil and free glycerol, at the transmembrane pressure of 100 KPa. The best condition was achieved with a temperature of 65 °C, methanol/oil molar ratio of 6:1 for 150 minutes, which resulted in the highest FAME yield of 94 %. Methyl ester produced met the ASTM D6751 and SANS 1935 specifications. The product obtained was mainly composed of methyl esters. Glycerol was not detected in the product stream due to the ability of the membrane to retain the glycerol and the unreacted oil in the medium, which solved the issue of glycerol separation from biodiesel.

Novel dry-desulfurization process using Ca(OH)2/fly ash sorbent in a circulating fluidized bed.

PubMed

Matsushima, Norihiko; Li, Yan; Nishioka, Masateru; Sadakata, Masayoshi; Qi, Haiying; Xu, Xuchang

2004-12-15

A dry-desulfurization process using Ca(OH)2/fly ash sorbent and a circulating fluidized bed (CFB) was developed. Its aim was to achieve high SO2 removal efficiency without humidification and production of CaSO4 as the main byproduct. The CaSO4 produced could be used to treat alkalized soil. An 83% SO2 removal rate was demonstrated, and a byproduct with a high CaSO4 content was produced through baghouse ash. These results indicated that this process could remove SO2 in flue gas with a high efficiency under dry conditions and simultaneously produce soil amendment. It was shown that NO and NO2 enhanced the SO2 removal rate markedly and that NO2 increased the amount of CaSO4 in the final product more than NO. These results confirmed that the significant effects of NO and NO2 on the SO2 removal rate were due to chain reactions that occurred under favorable conditions. The amount of baghouse ash produced increased as the reaction progressed, indicating that discharge of unreacted Ca(OH)2 from the reactor was suppressed. Hence, unreacted Ca(OH)2 had a long residence time in the CFB, resulting in a high SO2 removal rate. It was also found that 350 degrees C is the optimum reaction temperature for dry desulfurization in the range tested (320-380 degrees C).

Atmospheric Capture On Mars (and Processing)

NASA Technical Reports Server (NTRS)

Muscatello, Tony

2017-01-01

The ultimate destination of NASA's human exploration program is Mars. In Situ Resource Utilization (ISRU) is a key technology required to enable such missions, as first proposed by Prof. Robert Ash in 1976. This presentation will review progress in the systems required to produce rocket propellant, oxygen, and other consumables on Mars using the carbon dioxide atmosphere and other potential resources. For many years, NASA, commercial companies, and academia have been developing, and demonstrating techniques to capture and purify Martian atmospheric gases for their utilization for the production of hydrocarbons, oxygen, and water in ISRU systems. Other gases will be required to be separated from Martian atmospheric gases to provide pure CO2 for processing elements. Significant progress has been demonstrated in CO2 collection via adsorption by molecular sieves, freezing, and direct compression. Early stage work in adsorption in Ionic Liquids followed by electrolysis to oxygen is also underway. In addition, other Martian gases, such as nitrogen and argon, occur in concentrations high enough to be useful as buffer gas and could be captured as well. Gas separation requirements include, but are not limited to the selective separation of: (1) methane and water from unreacted carbon oxides (CO2-CO) and hydrogen typical of a Sabatier-type process, (2) carbon oxides and water from unreacted hydrogen from a Reverse Water-Gas Shift process, and (3) carbon oxides from oxygen from a trash/waste processing reaction.

Quantum dots and duplex-specific nuclease enabled ultrasensitive detection and serotyping of Dengue viruses in one step in a single tube.

PubMed

Shen, Wei; Gao, Zhiqiang

2015-03-15

Leveraging on the enzymatic processing of Dengue virus (DV) RNA hybridized quantum dot-capped DNA capture probes (QD-CPs), an ultrasensitive assay for the detection and serotyping of DVs is described in the report. Briefly, DV-specific DNA CPs are first capped by QDs and then conjugated to magnetic beads. In a sample solution, strands of DV RNA form heteroduplexes with the QD-CPs on the magnetic beads. The CPs together with the QDs in the heteroduplexes are subsequently cleaved off the magnetic beads by a duplex-specific nuclease (DSN), releasing the QDs to the solution, freeing the target RNA strands, and availing them for another around of hybridization with the remaining QD-CPs. After removing the magnetic beads along with unreacted (uncleaved) QD-CPs by using a permanent magnet, ultrasensitive fluorescent detection of DV is realized through the cleaved QDs. Serotyping of DV is accomplished by a judicious design of the QD-CPs. The assay combines excellent signal generation by the highly fluorescent QDs and the effortlessness of utilizing magnetic beads in the removal of the unreacted QD-CPs. The highly efficient DSN cleavage in conjunction with its excellent mismatch discrimination ability permits serotyping of DVs in one tube with excellent sensitivity and selectivity. Copyright © 2014 Elsevier B.V. All rights reserved.

EVALUATION OF THE HTA CORE MODEL FOR NATIONAL HEALTH TECHNOLOGY ASSESSMENT REPORTS: COMPARATIVE STUDY AND EXPERIENCES FROM EUROPEAN COUNTRIES.

PubMed

Kõrge, Kristina; Berndt, Nadine; Hohmann, Juergen; Romano, Florence; Hiligsmann, Mickael

2017-01-01

The health technology assessment (HTA) Core Model® is a tool for defining and standardizing the elements of HTA analyses within several domains for producing structured reports. This study explored the parallels between the Core Model and a national HTA report. Experiences from various European HTA agencies were also investigated to determine the Core Model's adaptability to national reports. A comparison between a national report on Genetic Counseling, produced by the Cellule d'expertise médicale Luxembourg, and the Core Model was performed to identify parallels in terms of relevant and comparable assessment elements (AEs). Semi-structured interviews with five representatives from European HTA agencies were performed to assess their user experiences with the Core Model. The comparative study revealed that 50 percent of the total number (n = 144) of AEs in the Core Model were relevant for the national report. Of these 144 AEs from the Core Model, 34 (24 percent) were covered in the national report. Some AEs were covered only partly. The interviewees emphasized flexibility in using the Core Model and stated that the most important aspects to be evaluated include characteristics of the disease and technology, clinical effectiveness, economic aspects, and safety. In the present study, the national report covered an acceptable number of AEs of the Core Model. These results need to be interpreted with caution because only one comparison was performed. The Core Model can be used in a flexible manner, applying only those elements that are relevant from the perspective of the technology assessment and specific country context.

Numerical models of the Earth’s thermal history: Effects of inner-core solidification and core potassium

NASA Astrophysics Data System (ADS)

Butler, S. L.; Peltier, W. R.; Costin, S. O.

2005-09-01

Recently there has been renewed interest in the evolution of the inner core and in the possibility that radioactive potassium might be found in significant quantities in the core. The arguments for core potassium come from considerations of the age of the inner core and the energy required to sustain the geodynamo [Nimmo, F., Price, G.D., Brodholt, J., Gubbins, D., 2004. The influence of potassium on core and geodynamo evolution. Geophys. J. Int. 156, 363-376; Labrosse, S., Poirier, J.-P., Le Mouël, J.-L., 2001. The age of the inner core. Earth Planet Sci. Lett. 190, 111-123; Labrosse, S., 2003. Thermal and magnetic evolution of the Earth's core. Phys. Earth Planet Int. 140, 127-143; Buffett, B.A., 2003. The thermal state of Earth's core. Science 299, 1675-1677] and from new high pressure physics analyses [Lee, K., Jeanloz, R., 2003. High-pressure alloying of potassium and iron: radioactivity in the Earth's core? Geophys. Res. Lett. 30 (23); Murthy, V.M., van Westrenen, W., Fei, Y.W., 2003. Experimental evidence that potassium is a substantial radioactive heat source in planetary cores. Nature 423, 163-165; Gessmann, C.K., Wood, B.J., 2002. Potassium in the Earth's core? Earth Planet Sci. Lett. 200, 63-78]. The Earth's core is also located at the lower boundary of the convecting mantle and the presence of radioactive heat sources in the core will affect the flux of heat between these two regions and will, as a result, have a significant impact on the Earth's thermal history. In this paper, we present Earth thermal history simulations in which we calculate fluid flow in a spherical shell representing the mantle, coupled with a core of a given heat capacity with varying degrees of internal heating in the form of K40 and varying initial core temperatures. The mantle model includes the effects of the temperature dependence of viscosity, decaying radioactive heat sources, and mantle phase transitions. The core model includes the thermal effects of inner core solidification and we present models for which the final size of the inner core is the same that for the present-day Earth. We compare the results of simulations with and without the effects of inner core solidification and we compare the results of the numerical model with those of a parameterized model. Models with concentrations of potassium in the core of roughly 600 ppm best satisfy the present-day surface heat flow constraint; however, the core temperatures in these models are somewhat high. In addition, we find that models with lesser degrees of heating in the core can also satisfy the surface heat flow constraint provided that the mantle is in a particularly active state. Our models predict a relatively young inner core with the greatest age being 1756 Ma. We demonstrate that models with high core temperatures in the latter part of simulations result in high CMB heat flows which lead to predictions of young inner cores. For fixed initial core temperatures, this leads to a slight decrease in the predicted age of the inner core with increasing concentration of radioactive elements in the core.

Density-based cluster algorithms for the identification of core sets

NASA Astrophysics Data System (ADS)

Lemke, Oliver; Keller, Bettina G.

2016-10-01

The core-set approach is a discretization method for Markov state models of complex molecular dynamics. Core sets are disjoint metastable regions in the conformational space, which need to be known prior to the construction of the core-set model. We propose to use density-based cluster algorithms to identify the cores. We compare three different density-based cluster algorithms: the CNN, the DBSCAN, and the Jarvis-Patrick algorithm. While the core-set models based on the CNN and DBSCAN clustering are well-converged, constructing core-set models based on the Jarvis-Patrick clustering cannot be recommended. In a well-converged core-set model, the number of core sets is up to an order of magnitude smaller than the number of states in a conventional Markov state model with comparable approximation error. Moreover, using the density-based clustering one can extend the core-set method to systems which are not strongly metastable. This is important for the practical application of the core-set method because most biologically interesting systems are only marginally metastable. The key point is to perform a hierarchical density-based clustering while monitoring the structure of the metric matrix which appears in the core-set method. We test this approach on a molecular-dynamics simulation of a highly flexible 14-residue peptide. The resulting core-set models have a high spatial resolution and can distinguish between conformationally similar yet chemically different structures, such as register-shifted hairpin structures.

Programmatic Life Cycle Environmental Assessment for Smoke/Obscurants. Volume 2. Red, White, and Plasticized White Phosphorus

DTIC Science & Technology

1983-07-01

data on toxic effects of unreacted P4 on soil systems are available. (3) Aquatic systems . Aquatic toxicity data on WP are presented in section IV.f...elevated phosphorus levels in aquatic systems will cause adverse effects . Phosphoric acids may lower water pH in systems with low water hardness. A pH...eutrophication of the system , will cause detrimental effects on the fish population. Fish kills can occur over the winter due to low oxygen levels. The

Controlled Interphases in Glass Fiber and Particulate Reinforced Polymers: Structure of Silane Coupling Agents in Solutions and On Substrates

DTIC Science & Technology

1993-01-01

to dissolve into water. Table 3. Typical industrially used silane coupling agents Organofunctional Chemical Formula Group Cationic styryl CH2...can also react with the surface as some unreacted silanol groups remain in the oligomers. The notion of physisorbed and chemisorbed silanes is used ...silanes use many silanol groups for covalent bonding with the substrate surface whereas the loosely chemisorbed silanes use only a few silanols to bond to

Hybrid fluidized bed combuster

DOEpatents

Kantesaria, Prabhudas P.; Matthews, Francis T.

1982-01-01

A first atmospheric bubbling fluidized bed furnace is combined with a second turbulent, circulating fluidized bed furnace to produce heat efficiently from crushed solid fuel. The bed of the second furnace receives the smaller sizes of crushed solid fuel, unreacted limestone from the first bed, and elutriated solids extracted from the flu gases of the first bed. The two-stage combustion of crushed solid fuel provides a system with an efficiency greater than available with use of a single furnace of a fluidized bed.

C-H activation in Ir(III) and N-demethylation in Pt(II) complexes with mesoionic carbene ligands: examples of monometallic, homobimetallic and heterobimetallic complexes.

PubMed

Maity, Ramananda; Tichter, Tim; van der Meer, Margarethe; Sarkar, Biprajit

2015-11-14

Mononuclear Pt(II) and the first dinuclear Pt(II) complexes along with a cyclometalated heterobimetallic Ir(III)/Pd(II) complex bearing mesoionic carbene donor ligands are presented starting from the same bis-triazolium salt. The mononuclear Pt(II) complex possesses a free triazole moiety which is generated from the corresponding triazolium salt through an N-demethylation reaction, whereas the mononuclear Ir(III) complex features an unreacted triazolium unit.

Ceramic Matrix Composites by Liquid Infiltration

DTIC Science & Technology

1988-01-01

28 List of Tables Page Table I Solubility of ZrCl4 in Various Solvents-----------8 Table II Experimental Matrix of Precursor Formation -------- 10...unreactive, solvent. 1 The solubility of ZrCl4 in acetonitrile is approximately 25% by weight. Dissolution is accompanied by evolution of heat and the solution...is very fluid. Evaporation of the solvent yields an off-white solid residue which appears to be a one to two complex or adduct of ZrCl4 with CH3CN

Occupational and environmental health hazards in the plastics industry.

PubMed Central

Eckardt, R E

1976-01-01

A brief description of the potential occupational health hazards encountered in the manufacture of plastics (polymers) is given. In general, these hazards are due to the monomers used to make the various plastics, to unreacted monomer contained within the finished products, and to the fillers, stabilizers, pigments, inhibitors, and initiators used in fabricating the finished products. They run the gamut from angiosarcomas of the liver due to vinyl chloride, to dermatitis and asthma-like reactions due to the initiators used with epoxy resins. PMID:140799

Fundamental Studies on Reactive Oligomers

DTIC Science & Technology

1974-04-01

filtered off, washed well with water and vacuum-dried at 50 0 C to afford 7.031 g of unreacted 4-chlorophenyl sulfone, identified by its melting point ...hours. The melting point was l00-130*C; the infrared spectrum was virtually identical with that of 4-chlorophenyl sulfone. 13. Preparation of Bis[4-(3...excess of 550°C. On a Fisher-Johns melting point apparatus BTPN-l melted over the range 255-285°C and did not harden in 10 minutes at 3000 C. BTPN-l was

Process for preparing fine grain silicon carbide powder

DOEpatents

Wei, G.C.

Finely divided silicon carbide powder is obtained by mixing colloidal silica and unreacted phenolic resin in either acetone or methanol, evaporating solvent from the obtained solution to form a gel, drying and calcining the gel to polymerize the phenolic resin therein, pyrolyzing the dried and calcined gel at a temperature in the range of 500 to 1000/sup 0/C, and reacting silicon and carbon in the pyrolyzed gel at a temperature in the range of 1550 to 1700/sup 0/C to form the powder.

Conventional Weapons Underwater Explosions

DTIC Science & Technology

1988-12-01

Nitromethane," UCRL 52903, December 1980. 22 I >I I 20 0--0 AIcN 23 0 I0 0 0 c W * ’S * / 0 o ---. 0 / nEil~ 24 Unreacted explosive Shock front t t...1976. 57 7. B. M. Dobratz LLNL Explosives Handbook - Properties of Explosives and Ex- plosive Simulants, UCRL -52997, March 1981. 8. M. H. Rice and J...Canada (403) 549- 3701 Ext. 4787 39. Joel C. W. Rogers Dept. of Mathemantics Polytechnic University 333 Jay Street Brooklyn, NY 11201 (718) 260-3501 40

Dendrite preventing separator for secondary lithium batteries

NASA Technical Reports Server (NTRS)

Shen, David H. (Inventor); Surampudi, Subbarao (Inventor); Huang, Chen-Kuo (Inventor); Halpert, Gerald (Inventor)

1993-01-01

Dendrites are prevented from shorting a secondary lithium battery by use of a first porous separator, such as porous polypropylene, adjacent to the lithium anode that is unreactive with lithium and a second porous fluoropolymer separator between the cathode and the first separator, such as polytetrafluoroethylene, that is reactive with lithium. As the tip of a lithium dendrite contacts the second separator, an exothermic reaction occurs locally between the lithium dendrite and the fluoropolymer separator. This results in the prevention of the dendrite propagation to the cathode.

Dendrite preventing separator for secondary lithium batteries

NASA Technical Reports Server (NTRS)

Shen, David H. (Inventor); Surampudi, Subbarao (Inventor); Huang, Chen-Kuo (Inventor); Halpert, Gerald (Inventor)

1995-01-01

Dendrites are prevented from shorting a secondary lithium battery by use of a first porous separator such as porous polypropylene adjacent the lithium anode that is unreactive with lithium and a second porous fluoropolymer separator between the cathode and the first separator such as polytetrafluoroethylene that is reactive with lithium. As the tip of a lithium dendrite contacts the second separator, an exothermic reaction occurs locally between the lithium dendrite and the fluoropolymer separator. This results in the prevention of the dendrite propagation to the cathode.

Successful Initial Development of Styrene Substitutes and Suppressants for Vinyl Ester Resin Formulations

DTIC Science & Technology

2003-08-01

into a separatory funnel. Distilled water was added to remove the acid from the ether phase. The layers were allowed to separate, and the water layer...The reaction mixtures were removed from the heat 2 hr after the last acrylic acid aliquot was added. The acrylated oils were purified via ether... remove inhibitor and any unreacted acid , the reaction mixture was ether extracted (25). The mixture was dissolved in diethyl ether and poured into a

Convective instabilities in traveling fronts of addition polymerization

NASA Technical Reports Server (NTRS)

Pojman, John A.; Jones, Chris E.; Khan, Akhtar M.

1993-01-01

An autocatalytic reaction in an unstirred vessel can support a constant velocity wavefront resulting from the coupling of diffusion to the chemical reaction. A flare front is a common example in which heat is the autocatalytic species that diffuses into unreacted regions stimulating a reaction that produces more heat. Traveling fronts were studied in synthetic polymerization reactions under high pressure by workers in the former USSR. More recently, propagating fronts of methacrylic acid polymerization were studied under ambient conditions, both with video techniques and by NMR.

Photographic investigation into the mechanism of combustion in irregular detonation waves

NASA Astrophysics Data System (ADS)

Kiyanda, C. B.; Higgins, A. J.

2013-03-01

Irregular detonations are supersonic combustion waves in which the inherent multi-dimensional structure is highly variable. In such waves, it is questionable whether auto-ignition induced by shock compression is the only combustion mechanism present. Through the use of high-speed schlieren and self-emitted light photography, the velocity of the different components of detonation waves in a {{ CH}}_4+2{ O}_2 mixture is analyzed. The observed burn-out of unreacted pockets is hypothesized to be due to turbulent combustion.

Separation of Carbon Monoxide and Carbon Dioxide for Mars ISRU-Concepts

NASA Technical Reports Server (NTRS)

LeVan, M. Douglas; Finn, John E.; Sridhar, K. R.

2000-01-01

Solid oxide electrolyzers, such as electrolysis cells utilizing yttria-stabilized zirconia, can produce oxygen from Mars atmospheric carbon dioxide and reject carbon monoxide and unreacted carbon dioxide in a separate stream. The oxygen-production process has been shown to be far more efficient if the high-pressure, unreacted carbon dioxide can be separated and recycled back into the feed stream. Additionally, the mass of the adsorption compressor can be reduced. Also, the carbon monoxide by-product is a valuable fuel for space exploration and habitation, with applications from fuel cells to production of hydrocarbons and plastics. In our research, we will design, construct, and test an innovative, robust, low mass, low power separation device that can recover carbon dioxide and carbon monoxide for Mars ISRU. Such fundamental process technology, involving gas-solid phase separation in a reduced gravitational environment, will help to enable Human Exploration and Development of Space. The separation device will be scaled to operate with a CO2 sorption compressor and a zirconia electrolysis device built at the NASA Ames Research Center and the University of Arizona, respectively. In our research, we will design, construct, and test an innovative, robust, low mass, low power separation device that can recover carbon dioxide and carbon monoxide for Mars ISRU, Such fundamental process technology, involving gas-solid phase separation in a reduced gravitational environment, will help to enable Human Exploration and Development of Space. The separation device will be scaled to operate with a CO2 sorption compressor and a zirconia electrolysis device built at the NASA Ames Research Center and the University of Arizona, The separation device will be scaled to operate with a CO2 sorption compressor and a zirconia electrolysis device built at the NASA Ames Research Center and the University of Arizona, Research needs for the design shown are as follows: (1) The best adsorbent for the process must be determined. (2) Adsorption isotherms must be measured, both for pure components and mixtures. (3) Mathematical modeling must be performed to provide a solid framework for design. (4) The separation system must be constructed and tested. (5) System integration must be studied.

Normal Mode Derived Models of the Physical Properties of Earth's Outer Core

NASA Astrophysics Data System (ADS)

Irving, J. C. E.; Cottaar, S.; Lekic, V.; Wu, W.

2017-12-01

Earth's outer core, the largest reservoir of metal in our planet, is comprised of an iron alloy of an uncertain composition. Its dynamical behaviour is responsible for the generation of Earth's magnetic field, with convection driven both by thermal and chemical buoyancy fluxes. Existing models of the seismic velocity and density of the outer core exhibit some variation, and there are only a small number of models which aim to represent the outer core's density.It is therefore important that we develop a better understanding of the physical properties of the outer core. Though most of the outer core is likely to be well mixed, it is possible that the uppermost outer core is stably stratified: it may be enriched in light elements released during the growth of the solid, iron enriched, inner core; by elements dissolved from the mantle into the outer core; or by exsolution of compounds previously dissolved in the liquid metal which will eventually be swept into the mantle. The stratified layer may host MAC or Rossby waves and it could impede communication between the chemically differentiated mantle and outer core, including screening out some of the geodynamo's signal. We use normal mode center frequencies to estimate the physical properties of the outer core in a Bayesian framework. We estimate the mineral physical parameters needed to best produce velocity and density models of the outer core which are consistent with the normal mode observations. We require that our models satisfy realistic physical constraints. We create models of the outer core with and without a distinct uppermost layer and assess the importance of this region.Our normal mode-derived models are compared with observations of body waves which travel through the outer core. In particular, we consider SmKS waves which are especially sensitive to the uppermost outer core and are therefore an important way to understand the robustness of our models.

Adaptive control method for core power control in TRIGA Mark II reactor

NASA Astrophysics Data System (ADS)

Sabri Minhat, Mohd; Selamat, Hazlina; Subha, Nurul Adilla Mohd

2018-01-01

The 1MWth Reactor TRIGA PUSPATI (RTP) Mark II type has undergone more than 35 years of operation. The existing core power control uses feedback control algorithm (FCA). It is challenging to keep the core power stable at the desired value within acceptable error bands to meet the safety demand of RTP due to the sensitivity of nuclear research reactor operation. Currently, the system is not satisfied with power tracking performance and can be improved. Therefore, a new design core power control is very important to improve the current performance in tracking and regulate reactor power by control the movement of control rods. In this paper, the adaptive controller and focus on Model Reference Adaptive Control (MRAC) and Self-Tuning Control (STC) were applied to the control of the core power. The model for core power control was based on mathematical models of the reactor core, adaptive controller model, and control rods selection programming. The mathematical models of the reactor core were based on point kinetics model, thermal hydraulic models, and reactivity models. The adaptive control model was presented using Lyapunov method to ensure stable close loop system and STC Generalised Minimum Variance (GMV) Controller was not necessary to know the exact plant transfer function in designing the core power control. The performance between proposed adaptive control and FCA will be compared via computer simulation and analysed the simulation results manifest the effectiveness and the good performance of the proposed control method for core power control.

Constitutive model for porous materials

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

Weston, A.M.; Lee, E.L.

1982-01-01

A simple pressure versus porosity compaction model is developed to calculate the response of granular porous bed materials to shock impact. The model provides a scheme for calculating compaction behavior when relatively limited material data are available. While the model was developed to study porous explosives and propellants, it has been applied to a much wider range of materials. The early development of porous material models, such as that of Hermann, required empirical dynamic compaction data. Erkman and Edwards successfully applied the early theory to unreacted porous high explosives using a Gruneisen equation of state without yield behavior and withoutmore » trapped gas in the pores. Butcher included viscoelastic rate dependance in pore collapse. The theoretical treatment of Carroll and Holt is centered on the collapse of a circular pore and includes radial inertia terms and a complex set of stress, strain and strain rate constitutive parameters. Unfortunately data required for these parameters are generally not available. The model described here is also centered on the collapse of a circular pore, but utilizes a simpler elastic-plastic static equilibrium pore collapse mechanism without strain rate dependence, or radial inertia terms. It does include trapped gas inside the pore, a solid material flow stress that creates both a yield point and a variation in solid material pressure with radius. The solid is described by a Mie-Gruneisen type EOS. Comparisons show that this model will accurately estimate major mechanical features which have been observed in compaction experiments.« less

The HTA core model: a novel method for producing and reporting health technology assessments.

PubMed

Lampe, Kristian; Mäkelä, Marjukka; Garrido, Marcial Velasco; Anttila, Heidi; Autti-Rämö, Ilona; Hicks, Nicholas J; Hofmann, Björn; Koivisto, Juha; Kunz, Regina; Kärki, Pia; Malmivaara, Antti; Meiesaar, Kersti; Reiman-Möttönen, Päivi; Norderhaug, Inger; Pasternack, Iris; Ruano-Ravina, Alberto; Räsänen, Pirjo; Saalasti-Koskinen, Ulla; Saarni, Samuli I; Walin, Laura; Kristensen, Finn Børlum

2009-12-01

The aim of this study was to develop and test a generic framework to enable international collaboration for producing and sharing results of health technology assessments (HTAs). Ten international teams constructed the HTA Core Model, dividing information contained in a comprehensive HTA into standardized pieces, the assessment elements. Each element contains a generic issue that is translated into practical research questions while performing an assessment. Elements were described in detail in element cards. Two pilot assessments, designated as Core HTAs were also produced. The Model and Core HTAs were both validated. Guidance on the use of the HTA Core Model was compiled into a Handbook. The HTA Core Model considers health technologies through nine domains. Two applications of the Model were developed, one for medical and surgical interventions and another for diagnostic technologies. Two Core HTAs were produced in parallel with developing the model, providing the first real-life testing of the Model and input for further development. The results of formal validation and public feedback were primarily positive. Development needs were also identified and considered. An online Handbook is available. The HTA Core Model is a novel approach to HTA. It enables effective international production and sharing of HTA results in a structured format. The face validity of the Model was confirmed during the project, but further testing and refining are needed to ensure optimal usefulness and user-friendliness. Core HTAs are intended to serve as a basis for local HTA reports. Core HTAs do not contain recommendations on technology use.

Testing Numerical Models of Cool Core Galaxy Cluster Formation with X-Ray Observations

NASA Astrophysics Data System (ADS)

Henning, Jason W.; Gantner, Brennan; Burns, Jack O.; Hallman, Eric J.

2009-12-01

Using archival Chandra and ROSAT data along with numerical simulations, we compare the properties of cool core and non-cool core galaxy clusters, paying particular attention to the region beyond the cluster cores. With the use of single and double β-models, we demonstrate a statistically significant difference in the slopes of observed cluster surface brightness profiles while the cluster cores remain indistinguishable between the two cluster types. Additionally, through the use of hardness ratio profiles, we find evidence suggesting cool core clusters are cooler beyond their cores than non-cool core clusters of comparable mass and temperature, both in observed and simulated clusters. The similarities between real and simulated clusters supports a model presented in earlier work by the authors describing differing merger histories between cool core and non-cool core clusters. Discrepancies between real and simulated clusters will inform upcoming numerical models and simulations as to new ways to incorporate feedback in these systems.

Implementation of Smoothed Particle Hydrodynamics for Detonation of Explosive with Application to Rock Fragmentation

NASA Astrophysics Data System (ADS)

Pramanik, R.; Deb, D.

2015-07-01

The paper presents a methodology in the SPH framework to analyze physical phenomena those occur in detonation process of an explosive. It mainly investigates the dynamic failure mechanism in surrounding brittle rock media under blast-induced stress wave and expansion of high pressure product gases. A program burn model is implemented along with JWL equation of state to simulate the reaction zone in between unreacted explosive and product gas. Numerical examples of detonation of one- and two-dimensional explosive slab have been carried out to investigate the effect of reaction zone in detonation process and outward dispersion of gaseous product. The results are compared with those obtained from existing solutions. A procedure is also developed in SPH framework to apply continuity conditions between gas and rock interface boundaries. The modified Grady-Kipp damage model for the onset of tensile yielding and Drucker-Prager model for shear failure are implemented for elasto-plastic analysis of rock medium. The results show that high compressive stress causes high crack density in the vicinity of blast hole. The major principal stress (tensile) is responsible for forming radial cracks from the blast hole. Spalling zones are also developed due to stress waves reflected from the free surfaces.

Magnetohydrodynamic Convection in the Outer Core and its Geodynamic Consequences

NASA Technical Reports Server (NTRS)

Kuang, Weijia; Chao, Benjamin F.; Fang, Ming

2004-01-01

The Earth's fluid outer core is in vigorous convection through much of the Earth's history. In addition to generating and maintaining Earth s time-varying magnetic field (geodynamo), the core convection also generates mass redistribution in the core and a dynamical pressure field on the core-mantle boundary (CMB). All these shall result in various core-mantle interactions, and contribute to surface geodynamic observables. For example, electromagnetic core-mantle coupling arises from finite electrically conducting lower mantle; gravitational interaction occurs between the cores and the heterogeneous mantle; mechanical coupling may also occur when the CMB topography is aspherical. Besides changing the mantle rotation via the coupling torques, the mass-redistribution in the core shall produce a spatial-temporal gravity anomaly. Numerical modeling of the core dynamical processes contributes in several geophysical disciplines. It helps explain the physical causes of surface geodynamic observables via space geodetic techniques and other means, e.g. Earth's rotation variation on decadal time scales, and secular time-variable gravity. Conversely, identification of the sources of the observables can provide additional insights on the dynamics of the fluid core, leading to better constraints on the physics in the numerical modeling. In the past few years, our core dynamics modeling efforts, with respect to our MoSST model, have made significant progress in understanding individual geophysical consequences. However, integrated studies are desirable, not only because of more mature numerical core dynamics models, but also because of inter-correlation among the geophysical phenomena, e.g. mass redistribution in the outer core produces not only time-variable gravity, but also gravitational core-mantle coupling and thus the Earth's rotation variation. They are expected to further facilitate multidisciplinary studies of core dynamics and interactions of the core with other components of the Earth.

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

Pearson, F.J. Jr.; Fisher, D.W.

Data from sampling stations in the Northeastern United States show that atmosperic precipitation in this region is composed of a dilute calcium-hydrogen sulfate water having additional sodium and chloride near the coast. In the inland and coastal sections, excepting only the highly industrialized areas, variations among the precipitation chemical loads measured at various sites show no systematic differences that suggest sectional changes in precipitation chemistry. In the rural inland section, the average loads of all measured constitutents except sulfate and hydrogen ion are independent of precipitation amount. In the coastal section, sodium and chloride loads vary with precipitation, presumably owingmore » to the effects of sea spray. Limited data show that industrial regions are marked by the presence of higher calcium, sulfate, and nitrate loads. Atmospheric precipitation contributes substantially to the chemical loads of streams, particularly those draining basins underlain by unreactive rock. Essentially all the sulfate- and nitrogen-bearing ions and much of the chloride and potassium in such streams are supplied by precipitation. Even in areas of more chemically reactive rock, the stream loads of the nitrogenous species may still be largely from precipitation. Most ground water contains enough material dissolved from its containing rock to mask the effect of precipitation on its recharge. However, because the Magothy aquifer on Long Island is so unreactive, the chemistry of its water appears to be controlled in large part by the chemistry of the atmospheric precipitation recharging it. 17 references, 7 figures, 3 tables.« less

Adverse Effects of Excess Residual PbI2 on Photovoltaic Performance, Charge Separation, and Trap-State Properties in Mesoporous Structured Perovskite Solar Cells.

PubMed

Wang, Hao-Yi; Hao, Ming-Yang; Han, Jun; Yu, Man; Qin, Yujun; Zhang, Pu; Guo, Zhi-Xin; Ai, Xi-Cheng; Zhang, Jian-Ping

2017-03-17

Organic-inorganic halide perovskite solar cells have rapidly come to prominence in the photovoltaic field. In this context, CH 3 NH 3 PbI 3 , as the most widely adopted active layer, has been attracting great attention. Generally, in a CH 3 NH 3 PbI 3 layer, unreacted PbI 2 inevitably coexists with the perovskite crystals, especially following a two-step fabrication process. There appears to be a consensus that an appropriate amount of unreacted PbI 2 is beneficial to the overall photovoltaic performance of a device, the only disadvantageous aspect of excess residual PbI 2 being viewed as its insulating nature. However, the further development of such perovskite-based devices requires a deeper understanding of the role of residual PbI 2 . In this work, PbI 2 -enriched and PbI 2 -controlled perovskite films, as two extreme cases, have been prepared by modulating the crystallinity of a pre-deposited PbI 2 film. The effects of excess residual PbI 2 have been elucidated on the basis of spectroscopic and optoelectronic studies. The initial charge separation, the trap-state density, and the trap-state distribution have all been found to be adversely affected in PbI 2 -enriched devices, to the detriment of photovoltaic performance. This leads to a biphasic recombination process and accelerates the charge carrier recombination dynamics. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Examining the effects of microstructure and loading on the shock initiation of HMX with mesoscale simulations

NASA Astrophysics Data System (ADS)

Springer, H. Keo; Tarver, Craig; Bastea, Sorin

2015-06-01

We perform reactive mesoscale simulations to study shock initiation in HMX over a range of pore morphologies and sizes, porosities, and loading conditions in order to improve our understanding of structure-performance relationships. These relationships are important because they guide the development of advanced macroscale models incorporating hot spot mechanisms and the optimization of novel energetic material microstructures. Mesoscale simulations are performed using the multiphysics hydrocode, ALE3D. Spherical, elliptical, polygonal, and crack-like pore geometries 0.1, 1, 10, and 100 microns in size and 2, 5, 10, and 14% porosity are explored. Loading conditions are realized with shock pressures of 6, 10, 20, 38, and 50 GPa. A Cheetah-based tabular model, including temperature-dependent heat capacity, is used for the unreacted and the product equation-of-state. Also, in-line Cheetah is used to probe chemical species evolution. The influence of microstructure and shock loading on shock-to-detonation-transition run distance, reaction rate and product gas species evolution are discussed. This work performed under the auspices of the U.S. DOE by LLNL under Contract DE-AC52-07NA27344. This work is funded by the Joint DoD-DOE Munitions Program.

Catalytic conversion reactions mediated by single-file diffusion in linear nanopores: hydrodynamic versus stochastic behavior.

PubMed

Ackerman, David M; Wang, Jing; Wendel, Joseph H; Liu, Da-Jiang; Pruski, Marek; Evans, James W

2011-03-21

We analyze the spatiotemporal behavior of species concentrations in a diffusion-mediated conversion reaction which occurs at catalytic sites within linear pores of nanometer diameter. Diffusion within the pores is subject to a strict single-file (no passing) constraint. Both transient and steady-state behavior is precisely characterized by kinetic Monte Carlo simulations of a spatially discrete lattice-gas model for this reaction-diffusion process considering various distributions of catalytic sites. Exact hierarchical master equations can also be developed for this model. Their analysis, after application of mean-field type truncation approximations, produces discrete reaction-diffusion type equations (mf-RDE). For slowly varying concentrations, we further develop coarse-grained continuum hydrodynamic reaction-diffusion equations (h-RDE) incorporating a precise treatment of single-file diffusion in this multispecies system. The h-RDE successfully describe nontrivial aspects of transient behavior, in contrast to the mf-RDE, and also correctly capture unreactive steady-state behavior in the pore interior. However, steady-state reactivity, which is localized near the pore ends when those regions are catalytic, is controlled by fluctuations not incorporated into the hydrodynamic treatment. The mf-RDE partly capture these fluctuation effects, but cannot describe scaling behavior of the reactivity.

Kinetic Modeling of Slow Energy Release in Non-Ideal Carbon Rich Explosives

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

Vitello, P; Fried, L; Glaesemann, K

2006-06-20

We present here the first self-consistent kinetic based model for long time-scale energy release in detonation waves in the non-ideal explosive LX-17. Non-ideal, insensitive carbon rich explosives, such as those based on TATB, are believed to have significant late-time slow release in energy. One proposed source of this energy is diffusion-limited growth of carbon clusters. In this paper we consider the late-time energy release problem in detonation waves using the thermochemical code CHEETAH linked to a multidimensional ALE hydrodynamics model. The linked CHEETAH-ALE model dimensional treats slowly reacting chemical species using kinetic rate laws, with chemical equilibrium assumed for speciesmore » coupled via fast time-scale reactions. In the model presented here we include separate rate equations for the transformation of the un-reacted explosive to product gases and for the growth of a small particulate form of condensed graphite to a large particulate form. The small particulate graphite is assumed to be in chemical equilibrium with the gaseous species allowing for coupling between the instantaneous thermodynamic state and the production of graphite clusters. For the explosive burn rate a pressure dependent rate law was used. Low pressure freezing of the gas species mass fractions was also included to account for regions where the kinetic coupling rates become longer than the hydrodynamic time-scales. The model rate parameters were calibrated using cylinder and rate-stick experimental data. Excellent long time agreement and size effect results were achieved.« less

Theoretical and computer models of detonation in solid explosives

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

Tarver, C.M.; Urtiew, P.A.

1997-10-01

Recent experimental and theoretical advances in understanding energy transfer and chemical kinetics have led to improved models of detonation waves in solid explosives. The Nonequilibrium Zeldovich - von Neumann - Doring (NEZND) model is supported by picosecond laser experiments and molecular dynamics simulations of the multiphonon up-pumping and internal vibrational energy redistribution (IVR) processes by which the unreacted explosive molecules are excited to the transition state(s) preceding reaction behind the leading shock front(s). High temperature, high density transition state theory calculates the induction times measured by laser interferometric techniques. Exothermic chain reactions form product gases in highly excited vibrational states,more » which have been demonstrated to rapidly equilibrate via supercollisions. Embedded gauge and Fabry-Perot techniques measure the rates of reaction product expansion as thermal and chemical equilibrium is approached. Detonation reaction zone lengths in carbon-rich condensed phase explosives depend on the relatively slow formation of solid graphite or diamond. The Ignition and Growth reactive flow model based on pressure dependent reaction rates and Jones-Wilkins-Lee (JWL) equations of state has reproduced this nanosecond time resolved experimental data and thus has yielded accurate average reaction zone descriptions in one-, two- and three- dimensional hydrodynamic code calculations. The next generation reactive flow model requires improved equations of state and temperature dependent chemical kinetics. Such a model is being developed for the ALE3D hydrodynamic code, in which heat transfer and Arrhenius kinetics are intimately linked to the hydrodynamics.« less

Ti2Al(C, N) Solid Solution Reinforcing TiAl-Based Composites: Evolution of a Core-Shell Structure, Interfaces, and Mechanical Properties.

PubMed

Song, Xiaojie; Cui, Hongzhi; Han, Ye; Ding, Lei; Song, Qiang

2018-05-16

In this work, Ti 2 Al(C, N) solid solution with lamellar structure-enhanced TiAl matrix composites was synthesized by vacuum arc melting, using bulk g-C 3 N 4 , Ti, and Al powders as raw materials. The phases, microstructures, interfaces, and mechanical properties were investigated. MAX phase of Ti 2 Al(C, N) solid solution with lamellar structure was formed. During the melting process, first, C 3 N 4 reacted with Ti to form Ti(C, N) by Ti + C 3 N 4 → Ti(C, N). Then Ti 2 Al(C, N) was formed by a peritectic reaction of TiAl(l) + Ti(C, N)(s) → Ti 2 Al(C, N). C 3 N 4 is the single reactant that provides C and N simultaneously to final product of Ti 2 Al(C, N). The interfaces of TiAl//Ti 2 Al(C, N) and Ti 2 Al(C, N)//Ti(C, N) display perfect orientation relationships with low misfit values. The microhardness, compressive strength, and strain of best-performing TiAl-10 mol % Ti 2 Al(C, N) composite were improved by 45%, 55.7%, and 50% compared with the TiAl alloy, respectively. Uniformly distributed Ti 2 Al(C, N) and unreacted Ti(C, N) particles contributed to the grain refinement and reinforcement of the TiAl matrix. Laminated tearing, particle pull-out, and the crack-arresting of Ti 2 Al(C, N) are crucial for the improvement in compressive strength and plasticity of the composites.

Quantifying fracture geometry with X-ray tomography: Technique of Iterative Local Thresholding (TILT) for 3D image segmentation

DOE PAGES

Deng, Hang; Fitts, Jeffrey P.; Peters, Catherine A.

2016-02-01

This paper presents a new method—the Technique of Iterative Local Thresholding (TILT)—for processing 3D X-ray computed tomography (xCT) images for visualization and quantification of rock fractures. The TILT method includes the following advancements. First, custom masks are generated by a fracture-dilation procedure, which significantly amplifies the fracture signal on the intensity histogram used for local thresholding. Second, TILT is particularly well suited for fracture characterization in granular rocks because the multi-scale Hessian fracture (MHF) filter has been incorporated to distinguish fractures from pores in the rock matrix. Third, TILT wraps the thresholding and fracture isolation steps in an optimized iterativemore » routine for binary segmentation, minimizing human intervention and enabling automated processing of large 3D datasets. As an illustrative example, we applied TILT to 3D xCT images of reacted and unreacted fractured limestone cores. Other segmentation methods were also applied to provide insights regarding variability in image processing. The results show that TILT significantly enhanced separability of grayscale intensities, outperformed the other methods in automation, and was successful in isolating fractures from the porous rock matrix. Because the other methods are more likely to misclassify fracture edges as void and/or have limited capacity in distinguishing fractures from pores, those methods estimated larger fracture volumes (up to 80 %), surface areas (up to 60 %), and roughness (up to a factor of 2). In conclusion, these differences in fracture geometry would lead to significant disparities in hydraulic permeability predictions, as determined by 2D flow simulations.« less

Effect of quartz overgrowth precipitation on the multiscale porosity of sandstone: A (U)SANS and imaging analysis

DOE PAGES

Anovitz, Lawrence M.; Cole, David R.; Jackson, Andrew J.; ...

2015-06-01

We have performed a series of experiments to understand the effects of quartz overgrowths on nanometer to centimeter scale pore structures of sandstones. Blocks from two samples of St. Peter Sandstone with different initial porosities (5.8 and 18.3%) were reacted from 3 days to 7.5 months at 100 and 200 °C in aqueous solutions supersaturated with respect to quartz by reaction with amorphous silica. Porosity in the resultant samples was analyzed using small and ultrasmall angle neutron scattering and scanning electron microscope/backscattered electron (SEM/BSE)-based image-scale processing techniques.Significant changes were observed in the multiscale pore structures. By three days much ofmore » the overgrowth in the low-porosity sample dissolved away. The reason for this is uncertain, but the overgrowths can be clearly distinguished from the original core grains in the BSE images. At longer times the larger pores are observed to fill with plate-like precipitates. As with the unreacted sandstones, porosity is a step function of size. Grain boundaries are typically fractal, but no evidence of mass fractal or fuzzy interface behavior was observed suggesting a structural difference between chemical and clastic sediments. After the initial loss of the overgrowths, image scale porosity (>~1 cm) decreases with time. Submicron porosity (typically ~25% of the total) is relatively constant or slightly decreasing in absolute terms, but the percent change is significant. Fractal dimensions decrease at larger scales, and increase at smaller scales with increased precipitation.« less

[Construction of the addiction prevention core competency model for preventing addictive behavior in adolescents].

PubMed

Park, Hyun Sook; Jung, Sun Young

2013-12-01

This study was done to provide fundamental data for the development of competency reinforcement programs to prevent addictive behavior in adolescents through the construction and examination of an addiction prevention core competency model. In this study core competencies for preventing addictive behavior in adolescents through competency modeling were identified, and the addiction prevention core competency model was developed. It was validated methodologically. Competencies for preventing addictive behavior in adolescents as defined by the addiction prevention core competency model are as follows: positive self-worth, self-control skill, time management skill, reality perception skill, risk coping skill, and positive communication with parents and with peers or social group. After construction, concurrent cross validation of the addiction prevention core competency model showed that this model was appropriate. The study results indicate that the addiction prevention core competency model for the prevention of addictive behavior in adolescents through competency modeling can be used as a foundation for an integral approach to enhance adolescent is used as an adjective and prevent addictive behavior. This approach can be a school-centered, cost-efficient strategy which not only reduces addictive behavior in adolescents, but also improves the quality of their resources.

Observation Data Model Core Components, its Implementation in the Table Access Protocol Version 1.1

NASA Astrophysics Data System (ADS)

Louys, Mireille; Tody, Doug; Dowler, Patrick; Durand, Daniel; Michel, Laurent; Bonnarel, Francos; Micol, Alberto; IVOA DataModel Working Group; Louys, Mireille; Tody, Doug; Dowler, Patrick; Durand, Daniel

2017-05-01

This document defines the core components of the Observation data model that are necessary to perform data discovery when querying data centers for astronomical observations of interest. It exposes use-cases to be carried out, explains the model and provides guidelines for its implementation as a data access service based on the Table Access Protocol (TAP). It aims at providing a simple model easy to understand and to implement by data providers that wish to publish their data into the Virtual Observatory. This interface integrates data modeling and data access aspects in a single service and is named ObsTAP. It will be referenced as such in the IVOA registries. In this document, the Observation Data Model Core Components (ObsCoreDM) defines the core components of queryable metadata required for global discovery of observational data. It is meant to allow a single query to be posed to TAP services at multiple sites to perform global data discovery without having to understand the details of the services present at each site. It defines a minimal set of basic metadata and thus allows for a reasonable cost of implementation by data providers. The combination of the ObsCoreDM with TAP is referred to as an ObsTAP service. As with most of the VO Data Models, ObsCoreDM makes use of STC, Utypes, Units and UCDs. The ObsCoreDM can be serialized as a VOTable. ObsCoreDM can make reference to more complete data models such as Characterisation DM, Spectrum DM or Simple Spectral Line Data Model (SSLDM). ObsCore shares a large set of common concepts with DataSet Metadata Data Model (Cresitello-Dittmar et al. 2016) which binds together most of the data model concepts from the above models in a comprehensive and more general frame work. This current specification on the contrary provides guidelines for implementing these concepts using the TAP protocol and answering ADQL queries. It is dedicated to global discovery.

Effect of temperature on reduction of CaSO{sub 4} oxygen carrier in chemical-looping combustion of simulated coal gas in a fluidized bed reactor

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

Song, Q.L.; Xiao, R.; Deng, Z.Y.

2008-12-15

Chemical-looping combustion (CLC) is a promising combustion technology for gaseous and solid fuel with efficient use of energy and inherent separation of CO{sub 2}. The concept of a coal-fueled CLC system using, calcium sulfate (CaSO{sub 4}) as oxygen carrier is proposed in this study. Reduction tests of CaSO{sub 4} oxygen carrier with simulated coal gas were performed in a laboratory-scale fluidized bed reactor in the temperature range of 890-950{degree}C. A high concentration of CO{sub 2} was obtained at the initial reduction period. CaSO{sub 4} oxygen carrier exhibited high reactivity initially and decreased gradually at the late period of reduction. Themore » sulfur release during the reduction of CaSO{sub 4} as oxygen carrier was also observed and analyzed. H{sub 2} and CO{sub 2} conversions were greatly influenced by reduction temperature. The oxygen carrier conversion and mass-based reaction rates during the reduction at typical temperatures were compared. Higher temperatures would enhance reaction rates and result in high conversion of oxygen carrier. An XRD patterns study indicated that CaS was the dominant product of reduction and the variation of relative intensity with temperature is in agreement with the solid conversion. ESEM analysis indicated that the surface structure of oxygen carrier particles changed significantly from impervious to porous after reduction. EDS analysis also demonstrated the transfer of oxygen from the oxygen carrier to the fuel gas and a certain amount of sulfur loss and CaO formation on the surface at higher temperatures. The reduction kinetics of CaSO{sub 4} oxygen carrier was explored with the shrinking unreacted-core model. The apparent kinetic parameters were obtained, and the kinetic equation well predicted the experimental data. Finally, some basic considerations on the use of CaSO{sub 4} oxygen carrier in a CLC system for solid fuels were discussed.« less

Direct measurement of resonance strengths in 34S(α ,γ )38Ar at astrophysically relevant energies using the DRAGON recoil separator

NASA Astrophysics Data System (ADS)

Connolly, D.; O'Malley, P. D.; Akers, C.; Chen, A. A.; Christian, G.; Davids, B.; Erikson, L.; Fallis, J.; Fulton, B. R.; Greife, U.; Hager, U.; Hutcheon, D. A.; Ilyushkin, S.; Laird, A. M.; Mahl, A.; Ruiz, C.

2018-03-01

Background: Nucleosynthesis of mid-mass elements is thought to occur under hot and explosive astrophysical conditions. Radiative α capture on 34S has been shown to impact nucleosynthesis in several such conditions, including core and shell oxygen burning, explosive oxygen burning, and type Ia supernovae. Purpose: Broad uncertainties exist in the literature for the strengths of three resonances within the astrophysically relevant energy range (ECM=1.94 -3.42 MeV at T =2.2 GK ). Further, there are several states in 38Ar within this energy range which have not been previously measured. This work aimed to remeasure the resonance strengths of states for which broad uncertainty existed as well as to measure the resonance strengths and energies of previously unmeasured states. Methods: Resonance strengths and energies of eight narrow resonances (five of which had not been previously studied) were measured in inverse kinematics with the DRAGON facility at TRIUMF by impinging an isotopically pure beam of 34S ions on a windowless 4He gas target. Prompt γ emissions of de-exciting 38Ar recoils were detected in an array of bismuth germanate scintillators in coincidence with recoil nuclei, which were separated from unreacted beam ions by an electromagnetic mass separator and detected by a time-of-flight system and a multianode ionization chamber. Results: The present measurements agree with previous results. Broad uncertainty in the resonance strength of the ECM=2709 keV resonance persists. Resonance strengths and energies were determined for five low-energy resonances which had not been studied previously, and their strengths were determined to be significantly weaker than those of previously measured resonances. Conclusions: The five previously unmeasured resonances were found not to contribute significantly to the total thermonuclear reaction rate. A median total thermonuclear reaction rate calculated using data from the present work along with existing literature values using the STARLIB rate calculator agrees with the NON-SMOKER statistical model calculation as well as the REACLIB and STARLIB library rates at explosive and nonexplosive oxygen-burning temperatures (T =3 -4 GK and T =1.5 -2.7 GK , respectively).

DCMIP2016: a review of non-hydrostatic dynamical core design and intercomparison of participating models

NASA Astrophysics Data System (ADS)

Ullrich, Paul A.; Jablonowski, Christiane; Kent, James; Lauritzen, Peter H.; Nair, Ramachandran; Reed, Kevin A.; Zarzycki, Colin M.; Hall, David M.; Dazlich, Don; Heikes, Ross; Konor, Celal; Randall, David; Dubos, Thomas; Meurdesoif, Yann; Chen, Xi; Harris, Lucas; Kühnlein, Christian; Lee, Vivian; Qaddouri, Abdessamad; Girard, Claude; Giorgetta, Marco; Reinert, Daniel; Klemp, Joseph; Park, Sang-Hun; Skamarock, William; Miura, Hiroaki; Ohno, Tomoki; Yoshida, Ryuji; Walko, Robert; Reinecke, Alex; Viner, Kevin

2017-12-01

Atmospheric dynamical cores are a fundamental component of global atmospheric modeling systems and are responsible for capturing the dynamical behavior of the Earth's atmosphere via numerical integration of the Navier-Stokes equations. These systems have existed in one form or another for over half of a century, with the earliest discretizations having now evolved into a complex ecosystem of algorithms and computational strategies. In essence, no two dynamical cores are alike, and their individual successes suggest that no perfect model exists. To better understand modern dynamical cores, this paper aims to provide a comprehensive review of 11 non-hydrostatic dynamical cores, drawn from modeling centers and groups that participated in the 2016 Dynamical Core Model Intercomparison Project (DCMIP) workshop and summer school. This review includes a choice of model grid, variable placement, vertical coordinate, prognostic equations, temporal discretization, and the diffusion, stabilization, filters, and fixers employed by each system.

Evolution dynamics modeling and simulation of logistics enterprise's core competence based on service innovation

NASA Astrophysics Data System (ADS)

Yang, Bo; Tong, Yuting

2017-04-01

With the rapid development of economy, the development of logistics enterprises in China is also facing a huge challenge, especially the logistics enterprises generally lack of core competitiveness, and service innovation awareness is not strong. Scholars in the process of studying the core competitiveness of logistics enterprises are mainly from the perspective of static stability, not from the perspective of dynamic evolution to explore. So the author analyzes the influencing factors and the evolution process of the core competence of logistics enterprises, using the method of system dynamics to study the cause and effect of the evolution of the core competence of logistics enterprises, construct a system dynamics model of evolution of core competence logistics enterprises, which can be simulated by vensim PLE. The analysis for the effectiveness and sensitivity of simulation model indicates the model can be used as the fitting of the evolution process of the core competence of logistics enterprises and reveal the process and mechanism of the evolution of the core competence of logistics enterprises, and provide management strategies for improving the core competence of logistics enterprises. The construction and operation of computer simulation model offers a kind of effective method for studying the evolution of logistics enterprise core competence.

MANUFACTURE OF UF$sub 4$

DOEpatents

Calcott, W.S.

1959-10-13

The manufacture of uranium tetrafluoride from urarium dioxide is described. Uranium dioxide is heated to about 500 deg C in a reactor. Anhydrous hydrogen fluoride is passed through the reactor in contact with uranium dioxide for several hours, the flow of hydrogen fluoride is discontinued, and hydrogen passed through the reactor for less than an hour. The flow of hydrogen fluoride is resumed for several hours, and then nitrogen is passed for a few minutes to expel unreacted hydrogen fluoride as water vapor. The reactor is cooled to room temperature and the uranium tetrafluoride removed.

Polyamine sensitization in offshore workers handling drilling muds.

PubMed

Ormerod, A D; Wakeel, R A; Mann, T A; Main, R A; Aldridge, R D

1989-11-01

Oil-based mud, a complex mixture containing amines in emulsifiers, is used in offshore drilling operations. It is a skin irritant that occasionally gives rise to allergic contact sensitivity. In patch testing patients with allergy to drilling mud, we have identified polyamine (diethylenetriamine and triethylenetetramine) sensitivity in 5 patients. All 5 patients were also allergic to emulsifiers. These emulsifiers are cross-linked fatty acid amido-amines, in which unreacted amine groups are thought to cross-sensitize with these constituent polyamines. Cross-reactivity between ethylenediamine, diethylenetetramine and triethylenetetramine was found in 9 subjects.

N-Heterocyclic Carbene Complexes in Dehalogenation Reactions

NASA Astrophysics Data System (ADS)

Mas-Marzá, Elena; Page, Michael J.; Whittlesey, Michael K.

Catalytic dehalogenation represents an underdeveloped transformation in M-NHC chemistry with a small number of reports detailing the reactivity of Co, Ru, Ni and Pd catalysts. In situ generated nickel and palladium NHC complexes catalyse the hydrodechlorination of aryl chlorides. Lower coordinate Ni complexes are proposed to operate in the hydrodefluorination of mono- and poly-fluorinated substrates. The single example of Ru-NHC catalysed hydrodefluorination of fully and partially fluorinated aromatic substrates is characterised by an unusual regioselectivity. The highly regioselective dehydrohalogenation of relatively unreactive alkyl halide substrates is achieved with a cobalt NHC catalyst.

Analysis and Evaluation of German Attainments and Research in the Liquid Rocket Engine Field. Volume 4. Propellant Injectors

DTIC Science & Technology

1951-02-01

they were ob- served at a given pressure drop in "cold" testing with water or unreacted propellants. heat-transfer considerations and the location of... water as a coolant in the main chamber. The Winkler injector was used.on a test unit developing a thrust of 220 lb and an exhaust ve- locity of 6370 ft... water . Provision was made for an igniter in the center of the injector. The relatively high performance reported for this unit does not seem to be

Research on the equivalence between digital core and rock physics models

NASA Astrophysics Data System (ADS)

Yin, Xingyao; Zheng, Ying; Zong, Zhaoyun

2017-06-01

In this paper, we calculate the elastic modulus of 3D digital cores using the finite element method, systematically study the equivalence between the digital core model and various rock physics models, and carefully analyze the conditions of the equivalence relationships. The influences of the pore aspect ratio and consolidation coefficient on the equivalence relationships are also further refined. Theoretical analysis indicates that the finite element simulation based on the digital core is equivalent to the boundary theory and Gassmann model. For pure sandstones, effective medium theory models (SCA and DEM) and the digital core models are equivalent in cases when the pore aspect ratio is within a certain range, and dry frame models (Nur and Pride model) and the digital core model are equivalent in cases when the consolidation coefficient is a specific value. According to the equivalence relationships, the comparison of the elastic modulus results of the effective medium theory and digital rock physics is an effective approach for predicting the pore aspect ratio. Furthermore, the traditional digital core models with two components (pores and matrix) are extended to multiple minerals to more precisely characterize the features and mineral compositions of rocks in underground reservoirs. This paper studies the effects of shale content on the elastic modulus in shaly sandstones. When structural shale is present in the sandstone, the elastic modulus of the digital cores are in a reasonable agreement with the DEM model. However, when dispersed shale is present in the sandstone, the Hill model cannot describe the changes in the stiffness of the pore space precisely. Digital rock physics describes the rock features such as pore aspect ratio, consolidation coefficient and rock stiffness. Therefore, digital core technology can, to some extent, replace the theoretical rock physics models because the results are more accurate than those of the theoretical models.

A Core-Particle Model for Periodically Focused Ion Beams with Intense Space-Charge

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

Lund, S M; Barnard, J J; Bukh, B

2006-08-02

A core-particle model is derived to analyze transverse orbits of test particles evolving in the presence of a core ion beam described by the KV distribution. The core beam has uniform density within an elliptical cross-section and can be applied to model both quadrupole and solenoidal focused beams in periodic or aperiodic lattices. Efficient analytical descriptions of electrostatic space-charge fields external to the beam core are derived to simplify model equations. Image charge effects are analyzed for an elliptical beam centered in a round, conducting pipe to estimate model corrections resulting from image charge nonlinearities. Transformations are employed to removemore » coherent utter motion associated with oscillations of the ion beam core due to rapidly varying, linear applied focusing forces. Diagnostics for particle trajectories, Poincare phase-space projections, and single-particle emittances based on these transformations better illustrate the effects of nonlinear forces acting on particles evolving outside the core. A numerical code has been written based on this model. Example applications illustrate model characteristics. The core-particle model described has recently been applied to identify physical processes leading to space-charge transport limits for an rms matched beam in a periodic quadrupole focusing channel [Lund and Chawla, Nuc. Instr. and Meth. A 561, 203 (2006)]. Further characteristics of these processes are presented here.« less

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

NASA Astrophysics Data System (ADS)

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

2018-03-01

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

Parameters of oscillation generation regions in open star cluster models

NASA Astrophysics Data System (ADS)

Danilov, V. M.; Putkov, S. I.

2017-07-01

We determine the masses and radii of central regions of open star cluster (OCL) models with small or zero entropy production and estimate the masses of oscillation generation regions in clustermodels based on the data of the phase-space coordinates of stars. The radii of such regions are close to the core radii of the OCL models. We develop a new method for estimating the total OCL masses based on the cluster core mass, the cluster and cluster core radii, and radial distribution of stars. This method yields estimates of dynamical masses of Pleiades, Praesepe, and M67, which agree well with the estimates of the total masses of the corresponding clusters based on proper motions and spectroscopic data for cluster stars.We construct the spectra and dispersion curves of the oscillations of the field of azimuthal velocities v φ in OCL models. Weak, low-amplitude unstable oscillations of v φ develop in cluster models near the cluster core boundary, and weak damped oscillations of v φ often develop at frequencies close to the frequencies of more powerful oscillations, which may reduce the non-stationarity degree in OCL models. We determine the number and parameters of such oscillations near the cores boundaries of cluster models. Such oscillations points to the possible role that gradient instability near the core of cluster models plays in the decrease of the mass of the oscillation generation regions and production of entropy in the cores of OCL models with massive extended cores.

GrowYourIC: A Step Toward a Coherent Model of the Earth's Inner Core Seismic Structure

NASA Astrophysics Data System (ADS)

Lasbleis, Marine; Waszek, Lauren; Day, Elizabeth A.

2017-11-01

A complex inner core structure has been well established from seismic studies, showing radial and lateral heterogeneities at various length scales. Yet no geodynamic model is able to explain all the features observed. One of the main limits for this is the lack of tools to compare seismic observations and numerical models successfully. We use here a new Python tool called GrowYourIC to compare models of inner core structure. We calculate properties of geodynamic models of the inner core along seismic raypaths, for random or user-specified data sets. We test kinematic models which simulate fast lateral translation, superrotation, and differential growth. We explore first the influence on a real inner core data set, which has a sparse coverage of the inner core boundary. Such a data set is however able to successfully constrain the hemispherical boundaries due to a good sampling of latitudes. Combining translation and rotation could explain some of the features of the boundaries separating the inner core hemispheres. The depth shift of the boundaries, observed by some authors, seems unlikely to be modeled by a fast translation but could be produced by slow translation associated with superrotation.

Competitive repetition suppression (CoRe) clustering: a biologically inspired learning model with application to robust clustering.

PubMed

Bacciu, Davide; Starita, Antonina

2008-11-01

Determining a compact neural coding for a set of input stimuli is an issue that encompasses several biological memory mechanisms as well as various artificial neural network models. In particular, establishing the optimal network structure is still an open problem when dealing with unsupervised learning models. In this paper, we introduce a novel learning algorithm, named competitive repetition-suppression (CoRe) learning, inspired by a cortical memory mechanism called repetition suppression (RS). We show how such a mechanism is used, at various levels of the cerebral cortex, to generate compact neural representations of the visual stimuli. From the general CoRe learning model, we derive a clustering algorithm, named CoRe clustering, that can automatically estimate the unknown cluster number from the data without using a priori information concerning the input distribution. We illustrate how CoRe clustering, besides its biological plausibility, posses strong theoretical properties in terms of robustness to noise and outliers, and we provide an error function describing CoRe learning dynamics. Such a description is used to analyze CoRe relationships with the state-of-the art clustering models and to highlight CoRe similitude with rival penalized competitive learning (RPCL), showing how CoRe extends such a model by strengthening the rival penalization estimation by means of loss functions from robust statistics.

Development and validation of a low-frequency modeling code for high-moment transmitter rod antennas

NASA Astrophysics Data System (ADS)

Jordan, Jared Williams; Sternberg, Ben K.; Dvorak, Steven L.

2009-12-01

The goal of this research is to develop and validate a low-frequency modeling code for high-moment transmitter rod antennas to aid in the design of future low-frequency TX antennas with high magnetic moments. To accomplish this goal, a quasi-static modeling algorithm was developed to simulate finite-length, permeable-core, rod antennas. This quasi-static analysis is applicable for low frequencies where eddy currents are negligible, and it can handle solid or hollow cores with winding insulation thickness between the antenna's windings and its core. The theory was programmed in Matlab, and the modeling code has the ability to predict the TX antenna's gain, maximum magnetic moment, saturation current, series inductance, and core series loss resistance, provided the user enters the corresponding complex permeability for the desired core magnetic flux density. In order to utilize the linear modeling code to model the effects of nonlinear core materials, it is necessary to use the correct complex permeability for a specific core magnetic flux density. In order to test the modeling code, we demonstrated that it can accurately predict changes in the electrical parameters associated with variations in the rod length and the core thickness for antennas made out of low carbon steel wire. These tests demonstrate that the modeling code was successful in predicting the changes in the rod antenna characteristics under high-current nonlinear conditions due to changes in the physical dimensions of the rod provided that the flux density in the core was held constant in order to keep the complex permeability from changing.

Some aspects of core formation in Mercury

NASA Technical Reports Server (NTRS)

Solomon, S. C.

1976-01-01

Some questions dealing with the nature and history of a large metallic core within Mercury are considered. These include the existence of a core, its size, whether it is fluid or solid, the timescale for core formation, the geological consequences of core formation, and whether such consequences are consistent with the surface geology. Several indirect lines of evidence are discussed which suggest the presence of a large iron-rich core. A core-formation model is examined in which core infall is accompanied by an increase of 17 km in planetary radius, an increase of 700 K in mean internal temperature, and substantial melting of the mantle. It is argued that if the core differentiated from an originally homogeneous planet, that event must have predated the oldest geological units comprising most of the planetary surface. A convective dynamo model for the source of Mercury's magnetic field is shown to conflict with cosmochemical models that do not predict a substantial radiogenic heat source in the core.

Construction of Martian Interior Model

NASA Astrophysics Data System (ADS)

Zharkov, V. N.; Gudkova, T. V.

2005-09-01

We present the results of extensive numerical modeling of the Martian interior. Yoder et al. in 2003 reported a mean moment of inertia of Mars that was somewhat smaller than the previously used value and the Love number k 2 obtained from observations of solar tides on Mars. These values of k 2 and the mean moment of inertia impose a strong new constraint on the model of the planet. The models of the Martian interior are elastic, while k 2 contains both elastic and inelastic components. We thoroughly examined the problem of partitioning the Love number k 2 into elastic and inelastic components. The information necessary to construct models of the planet (observation data, choice of a chemical model, and the cosmogonic aspect of the problem) are discussed in the introduction. The model of the planet comprises four submodels—a model of the outer porous layer, a model of the consolidated crust, a model of the silicate mantle, and a core model. We estimated the possible content of hydrogen in the core of Mars. The following parameters were varied while constructing the models: the ferric number of the mantle (Fe#) and the sulfur and hydrogen content in the core. We used experimental data concerning the pressure and temperature dependence of elastic properties of minerals and the information about the behavior of Fe(γ-Fe ), FeS, FeH, and their mixtures at high P and T. The model density, pressure, temperature, and compressional and shear velocities are given as functions of the planetary radius. The trial model M13 has the following parameters: Fe#=0.20; 14 wt % of sulfur in the core; 50 mol % of hydrogen in the core; the core mass is 20.9 wt %; the core radius is 1699 km; the pressure at the mantle-core boundary is 20.4 GPa; the crust thickness is 50 km; Fe is 25.6 wt %; the Fe/Si weight ratio is 1.58, and there is no perovskite layer. The model gives a radius of the Martian core within 1600 1820 km while ≥30 mol % of hydrogen is incorporated into the core. When the inelasticity of the Martian interior is taken into account, the Love number k 2 increases by several thousandths; therefore, the model radius of the planetary core increases as well. The prognostic value of the Chandler period of Mars is 199.5 days, including one day due to inelasticity. Finally, we calculated parameters of the equilibrium figure of Mars for the M13 model: J 2 0 = 1.82 × 10-3, J 4 0 = -7.79 × 10-6, e c-m D = 1/242.3 (the dynamical flattening of the core-mantle boundary).

Evaluation of stator core loss of high speed motor by using thermography camera

NASA Astrophysics Data System (ADS)

Sato, Takeru; Enokizono, Masato

2018-04-01

In order to design a high-efficiency motor, the iron loss that is generated in the motor should be reduced. The iron loss of the motor is generated in a stator core that is produced with an electrical steel sheet. The iron loss characteristics of the stator core and the electrical steel sheet are agreed due to a building factor. To evaluate the iron loss of the motor, the iron loss of the stator core should be measured more accurately. Thus, we proposed the method of the iron loss evaluation of the stator core by using a stator model core. This stator model core has been applied to the surface mounted permanent magnet (PM) motors without windings. By rotate the permanent magnet rotor, the rotating magnetic field is generated in the stator core like a motor under driving. To evaluate the iron loss of the stator model core, the iron loss of the stator core can be evaluated. Also, the iron loss can be calculated by a temperature gradient. When the temperature gradient is measured by using thermography camera, the iron loss of entire stator core can be evaluated as the iron loss distribution. In this paper, the usefulness of the iron loss evaluation method by using the stator model core is shown by the simulation with FEM and the heat measurement with thermography camera.

Full Core TREAT Kinetics Demonstration Using Rattlesnake/BISON Coupling Within MAMMOTH

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

Ortensi, Javier; DeHart, Mark D.; Gleicher, Frederick N.

2015-08-01

This report summarizes key aspects of research in evaluation of modeling needs for TREAT transient simulation. Using a measured TREAT critical measurement and a transient for a small, experimentally simplified core, Rattlesnake and MAMMOTH simulations are performed building from simple infinite media to a full core model. Cross sections processing methods are evaluated, various homogenization approaches are assessed and the neutronic behavior of the core studied to determine key modeling aspects. The simulation of the minimum critical core with the diffusion solver shows very good agreement with the reference Monte Carlo simulation and the experiment. The full core transient simulationmore » with thermal feedback shows a significantly lower power peak compared to the documented experimental measurement, which is not unexpected in the early stages of model development.« less

Seismic velocity and attenuation structures in the Earth's inner core

NASA Astrophysics Data System (ADS)

Yu, Wen-Che

2007-12-01

I study seismic velocity and attenuation structures in the top 400 km of the Earth's inner core along equatorial paths, velocity-attenuation relationship, and seismic anisotropy in the top of the inner core beneath Africa. Seismic observations exhibit "east-west" hemispheric differences in seismic velocity, attenuation, and anisotropy. Joint modeling of the PKiKP-PKIKP and PKPbc-PKIKP phases is used to constrain seismic velocity and attenuation structures in the top 400 km of the inner core for the eastern and western hemispheres. The velocity and attenuation models for the western hemisphere are simple, having a constant velocity gradient and a Q value of 600 in the top 400 km of the inner core. The velocity and attenuation models for the eastern hemisphere appear complex. The velocity model for the eastern hemisphere has a small velocity gradient in the top 235 km, a steeper velocity gradient at the depth range of 235 - 375 km, and a gradient similar to PREM in the deeper portion of the inner core. The attenuation model for the eastern hemisphere has a Q value of 300 in the top 300 km and a Q value of 600 in the deeper portion of the inner core. The study of velocity-attenuation relationship reveals that inner core is anisotropic in both velocity and attenuation, and the direction of high attenuation corresponding to that of high velocity. I hypothesize that the hexagonal close packed (hcp) iron crystal is anisotropic in attenuation, with the axis of high attenuation corresponding to that of high velocity. Anisotropy in the top of the inner core beneath Africa is complex. Beneath eastern Africa, the thickness of the isotropic upper inner core is about 0 km. Beneath central and western Africa, the thickness of the isotropic upper inner core increases from 20 to 50 km. The velocity increase across the isotropic upper inner core and anisotropic lower inner core boundary is sharp, laterally varying from 1.6% - 2.2%. The attenuation model has a Q value of 600 for the isotropic upper inner core and 150 to 400 for the anisotropic lower inner core.

Influence of magnesia-to-phosphate molar ratio on microstructures, mechanical properties and thermal conductivity of magnesium potassium phosphate cement paste with large water-to-solid ratio

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

Xu, Biwan, E-mail: xubiwan@gmail.com; Ma, Hongyan, E-mail: mhy1103@gmail.com; Li, Zongjin

2015-02-15

This paper describes the influence of the magnesia-to-phosphate (M/P) molar ratios ranging from 4 to 12, on the properties and microstructures of magnesium potassium phosphate cement (MKPC) pastes with a large water-to-solid ratio (w/s) of 0.50. The setting behavior, compressive strength, tensile bonding strength and thermal conductivity of the MKPC pastes, were investigated. The results show that an increase in the M/P ratio can slow down the setting reaction, and clearly degrade the mechanical strengths, but clearly improve the thermal conductivity of MKPC pastes. Furthermore, micro-characterizations including X-ray diffraction, scanning electron microscopy and thermogravimetric analysis, on the MKPC pastes revealmore » that a lower M/P ratio can facilitate better crystallization of the resultant magnesium potassium phosphate hexahydrate (MKP) and a denser microstructure. Moreover, strong linear correlations are found between the mechanical strengths and the MKP-to-space ratio, and between thermal conductivity and the volume ratio of the unreacted magnesia to the MKP. - Highlights: • Increase of M/P molar ratio causes clear mechanical degradations on MKPC pastes. • Thermal conductivity of MKPC pastes is improved with increase of M/P molar ratio. • Lower M/P ratio leads to better MKP crystallization and denser microstructure. • Strengths of MKPC pastes are linearly correlated to the MKP-to-space ratios. • Thermal conductivity is affected by the volume ratio of unreacted magnesia to MKP.« less

Mars Atmospheric Capture and Gas Separation

NASA Technical Reports Server (NTRS)

Muscatello, Anthony; Santiago-Maldonado, Edgardo; Gibson, Tracy; Devor, Robert; Captain, James

2011-01-01

The Mars atmospheric capture and gas separation project is selecting, developing, and demonstrating techniques to capture and purify Martian atmospheric gases for their utilization for the production of hydrocarbons, oxygen, and water in ISRU systems. Trace gases will be required to be separated from Martian atmospheric gases to provide pure C02 to processing elements. In addition, other Martian gases, such as nitrogen and argon, occur in concentrations high enough to be useful as buffer gas and should be captured as welL To achieve these goals, highly efficient gas separation processes will be required. These gas separation techniques are also required across various areas within the ISRU project to support various consumable production processes. The development of innovative gas separation techniques will evaluate the current state-of-the-art for the gas separation required, with the objective to demonstrate and develop light-weight, low-power methods for gas separation. Gas separation requirements include, but are not limited to the selective separation of: (1) methane and water from un-reacted carbon oxides (C02- CO) and hydrogen typical of a Sabatier-type process, (2) carbon oxides and water from unreacted hydrogen from a Reverse Water-Gas Shift process, (3) carbon oxides from oxygen from a trash/waste processing reaction, and (4) helium from hydrogen or oxygen from a propellant scavenging process. Potential technologies for the separations include freezers, selective membranes, selective solvents, polymeric sorbents, zeolites, and new technologies. This paper and presentation will summarize the results of an extensive literature review and laboratory evaluations of candidate technologies for the capture and separation of C02 and other relevant gases.

Inhibition of cell proliferation by mitomycin C incorporated into P(HEMA) hydrogels.

PubMed

Blake, Diane A; Sahiner, Nurettin; John, Vijay T; Clinton, Antoine D; Galler, Korianne E; Walsh, Molly; Arosemena, Analisa; Johnson, Pamela Y; Ayyala, Ramesh S

2006-08-01

The technique of mitomycin C (MMC) drug delivery and its application in glaucoma surgery are not standardized with resultant inconsistencies in the results. Also, one time application of MMC does not seem to have the same efficacy after glaucoma drainage device surgeries compared with trabeculectomies. This preliminary study examined the efficacy of a slow release form of MMC for its ability to inhibit cell proliferation in vitro. MMC was incorporated into 1% P(HEMA) hydrogels using a redox polymerization method. For some experiments, unreacted low molecular weight components were removed from the hydrogels before the MMC was incorporated. Sterile disks (8 mm) of each polymer sample were affixed to 60 mm tissue culture dishes, and the dishes were inoculated with COS-1 cells or early passage human conjunctival fibroblasts. After 7 days in culture, the number of cells in each dish was determined. Cell morphology was assessed in replicate cultures after fixation and staining. Hydrogels with unreacted low molecular weight components slowed cell proliferation and induced morphologic changes. Early passage human conjunctival fibroblasts were more sensitive than COS-1 cells both to intrinsic contaminants in the hydrogels and to incorporated MMC. Once contaminants had been removed, MMC-loaded hydrogels inhibited conjunctival fibroblast proliferation in a dose-dependent fashion, with an IC50 of approximately 0.15 mg/g polymer. This study demonstrates that a slow release form of MMC can inhibit cell proliferation in vitro. Future experiments will focus upon the efficacy of this polymer-bound form during in vivo wound healing.

Minimising alkalinity and pH spikes from Portland cement-bound Bauxsol (seawater-neutralized red mud) pellets for pH circum-neutral waters.

PubMed

Despland, Laure M; Clark, Malcolm W; Aragno, Michel; Vancov, Tony

2010-03-15

Bauxsol reagents (powder, slurry, or pellet forms) are powerful tools in environmental remediation and water and sewage treatment However, when used in circum-neutral water treatments, cement-bound Bauxsol pellets produce a sustained pH and alkalinity spike due to the presence of unreacted CaO in the cement binder. This study developed a pellet treatment system to minimize the alkalinity/pH spike. The recipe for pelletization consisted of Bauxsol powder, ordinary Portland cement (OPC), hydrophilic fumed silica, aluminum powder, a viscosity modifier, and water. Several batches (including different ratios and sizes) were run using modified makeup waters (H(2)0 + CO(2) or NaHCO(3)) or curing brines (CO(2), NaHCO(3), or Mg/CaCl(2)). Alkalinity, pH stability, and slake durability tests were performed on pellets before and/or after curing. The best result for reducing the alkalinity/pH spike was obtained from a MgCl(2), CaCl(2) bath treatment using a Bauxsol:cement ratio of 2.8:1 (pH 8.28; alkalinity 75.1 mg/L) for a 100 g batch or 245:1 (pH 8.05; alkalinity 35.4 mg/L) for a 1 kg batch. Although brine curing does provide a control on pH/alkalinity release, the pellets may still contain unreacted CaO. Therefore, a freshwater rinse of pellets before treating circum-neutral waters is recommended as is the continued investigation of alternative pellet binders.

Aircraft NO(x) had no Unique Fingerprint on Sonex; Lightning Dominated Fresh NO(x) Sources

NASA Technical Reports Server (NTRS)

Thompson, A.; Sparling, L.; Kondo, Y.; Anderson, B.; Gregory, G.; Sachse, G.

1999-01-01

Key questions to which SONEX was directed were the following: Can aircraft corridors be detected? Is there a unique tracer for aircraft NO(x)? Can a "background" NO(x) (or NO(y) be defined? What fraction of NO(x) measured during SONEX was from aircraft? How representative was SONEX of the North Atlantic in 1997 and how typical of other years? We attempt to answer these questions through species-species correlations, probability distribution functions (PDFs), and meteorological history. There is not a unique aircraft tracer, largely due to the high variability of air mass origins and tracer ratios, which render "average" quantities meaningless. The greatest NO and NO(y) signals were associated with lightning and convective NO sources. Well-defined background CO, NO(y) and NO(y)/ozone ratio appear in subsets of two cross-track flights with subtropical origins and five flights with predominantly mid-latitude air. Forty percent of the observations on these 7 flights showed NO(y)/ozone to be above background, evidently due to unreacted NO(x). This NO(x) is a combination of aircraft, lightning and surface pollution injected by convection. The strongly subtropical signatures in SONEX observations, confirmed by pv (potential vorticity) values along flight tracks, argues for most of the unreacted NO(x) originating from lightning. Potential vorticity statistics along SONEX flight tracks in 1992-1998, and for the North Atlantic as a whole, show the SONEX meteorological environment to be representative of the North Atlantic flight corridor in the October-November period.

Comparison of solvent/derivatization agent systems for determination of extractable toluene diisocyanate from flexible polyurethane foam.

PubMed

Vangronsveld, Erik; Berckmans, Steven; Spence, Mark

2013-06-01

Flexible polyurethane foam (FPF) is produced from the reaction of toluene diisocyanate (TDI) and polyols. Limited and conflicting results exist in the literature concerning the presence of unreacted TDI remaining in FPF as determined by various solvent extraction and analysis techniques. This study reports investigations into the effect of several solvent/derivatization agent combinations on extractable TDI results and suggests a preferred method. The suggested preferred method employs a syringe-based multiple extraction of foam samples with a toluene solution of 1-(2-methoxyphenyl)-piperazine. Extracts are analyzed by liquid chromatography using an ion trap mass spectrometry detection technique. Detection limits of the method are ~10ng TDI g(-1) foam (10 ppb, w/w) for each TDI isomer (i.e. 2,4-TDI and 2,6-TDI). The method was evaluated by a three-laboratory interlaboratory comparison using two representative foam samples. The total extractable TDI results found by the three labs for the two foams were in good agreement (relative standard deviation of the mean of 30-40%). The method has utility as a basis for comparing FPFs, but the interpretation of extractable TDI results using any solvent as the true value for 'free' or 'unreacted' TDI in the foam is problematic, as demonstrated by the difference in the extracted TDI results from the different extraction systems studied. Further, a consideration of polyurethane foam chemistry raises the possibility that extractable TDI may result from decomposition of parts of the foam structure (e.g. dimers, biurets, and allophanates) by the extraction system.

Effects of density stratification on the frequencies of the inertial-gravity modes of the Earth's fluid core

NASA Astrophysics Data System (ADS)

Seyed-Mahmoud, B.; Moradi, A.; Kamruzzaman, M.; Naseri, H.

2015-08-01

The Earth's outer core is a rotating ellipsoidal shell of compressible, stratified and self-gravitating fluid. As such, in the treatment of geophysical problems a realistic model of this body needs to be considered. In this work, we consider compressible and stratified fluid core models with different stratification parameters, related to the local Brunt-Väisälä frequency, in order to study the effects of the core's density stratification on the frequencies of some of the inertial-gravity modes of this body. The inertial-gravity modes of the core are free oscillations with periods longer than 12 hr. Historically, an incompressible and homogeneous fluid is considered to study these modes and analytical solutions are known for the frequencies and the displacement eigenfunctions of a spherical model. We show that for a compressible and stratified spherical core model the effects of non-neutral density stratification may be significant, and the frequencies of these modes may change from model to model. For example, for a spherical core model the frequency of the spin-over mode, the (2, 1, 1) mode, is unaffected while that of the (4, 1, 1) mode is changed from -0.410 for the Poincaré core model to -0.434, -0.447 and -0.483 for core models with the stability parameter β = -0.001, -0.002 and -0.005, respectively, a maximum change of about 18 per cent when β = -0.005. Our results also show that for small stratification parameter, |β| ≤ 0.005, the frequency of an inertial-gravity mode is a nearly linear function of β but the slope of the line is different for different modes, and that the effects of density stratification on the frequency of a mode is likely related to its spatial structure, which remains the same in different Earth models. We also compute the frequencies of some of the modes of the `PREM' (spherical shell) core model and show that the frequencies of these modes may also be significantly affected by non-zero β.

Core Physics and Kinetics Calculations for the Fissioning Plasma Core Reactor

NASA Technical Reports Server (NTRS)

Butler, C.; Albright, D.

2007-01-01

Highly efficient, compact nuclear reactors would provide high specific impulse spacecraft propulsion. This analysis and numerical simulation effort has focused on the technical feasibility issues related to the nuclear design characteristics of a novel reactor design. The Fissioning Plasma Core Reactor (FPCR) is a shockwave-driven gaseous-core nuclear reactor, which uses Magneto Hydrodynamic effects to generate electric power to be used for propulsion. The nuclear design of the system depends on two major calculations: core physics calculations and kinetics calculations. Presently, core physics calculations have concentrated on the use of the MCNP4C code. However, initial results from other codes such as COMBINE/VENTURE and SCALE4a. are also shown. Several significant modifications were made to the ISR-developed QCALC1 kinetics analysis code. These modifications include testing the state of the core materials, an improvement to the calculation of the material properties of the core, the addition of an adiabatic core temperature model and improvement of the first order reactivity correction model. The accuracy of these modifications has been verified, and the accuracy of the point-core kinetics model used by the QCALC1 code has also been validated. Previously calculated kinetics results for the FPCR were described in the ISR report, "QCALC1: A code for FPCR Kinetics Model Feasibility Analysis" dated June 1, 2002.

Data use investigation for the magnetic field satellite (MAGSAT) mission: Geomagnetic field forecasting and fluid dynamics of the core

NASA Technical Reports Server (NTRS)

Benton, E. R. (Principal Investigator)

1982-01-01

MAGSAT data were used to construct a variety of spherical harmonic models of the main geomagnetic field emanating from Earth's liquid core at poch 1980. These models were used to: (1) accurately determine the radius of Earth's core by a magnetic method, (2) calculate estimates, of the long-term ange of variation of geomagnetic Gauss coefficients; (3) establish a preferred truncation level for current spherical harmonic models of the main geomagnetic field from the core; (4) evaluate a method for taking account of electrical conduction in the mantle when the magnetic field is downward continued to the core-mantle boundary; and (5) establish that upwelling and downwelling of fluid motion at the top of the core is probably detectable, observationally. A fluid dynamics forecast model was not produced because of insufficient data.

Two-dimensional Mathematical Model of Oil-bearing Materials in Extrusion-type Transportation over Rectangular Screw Core

NASA Astrophysics Data System (ADS)

Gukasyan, A. V.; Koshevoy, E. P.; Kosachev, V. S.

2018-05-01

A comparative analysis of alternative models for plastic flow in extrusive transportation of oil-bearing materials was conducted; the research was directed at determining the function describing the screw core throughput capacity of the press (extruder). Transition from a one-dimensional model to a two-dimensional model significantly improves the mathematical model and allows using two-dimensional rheological models determining the throughput of the screw core.

Modelling the core magnetic field of the earth

NASA Technical Reports Server (NTRS)

Harrison, C. G. A.; Carle, H. M.

1982-01-01

It is suggested that radial off-center dipoles located within the core of the earth be used instead of spherical harmonics of the magnetic potential in modeling the core magnetic field. The off-center dipoles, in addition to more realistically modeling the physical current systems within the core, are if located deep within the core more effective at removing long wavelength signals of either potential or field. Their disadvantage is that their positions and strengths are more difficult to compute, and such effects as upward and downward continuation are more difficult to manipulate. It is nevertheless agreed with Cox (1975) and Alldredge and Hurwitz (1964) that physical realism in models is more important than mathematical convenience. A radial dipole model is presented which agrees with observations of secular variation and excursions.

A Mathematical Evaluation of the Core Conductor Model

PubMed Central

Clark, John; Plonsey, Robert

1966-01-01

This paper is a mathematical evaluation of the core conductor model where its three dimensionality is taken into account. The problem considered is that of a single, active, unmyelinated nerve fiber situated in an extensive, homogeneous, conducting medium. Expressions for the various core conductor parameters have been derived in a mathematically rigorous manner according to the principles of electromagnetic theory. The purpose of employing mathematical rigor in this study is to bring to light the inherent assumptions of the one dimensional core conductor model, providing a method of evaluating the accuracy of this linear model. Based on the use of synthetic squid axon data, the conclusion of this study is that the linear core conductor model is a good approximation for internal but not external parameters. PMID:5903155

Modeling shock-driven reaction in low density PMDI foam

NASA Astrophysics Data System (ADS)

Brundage, Aaron; Alexander, C. Scott; Reinhart, William; Peterson, David

Shock experiments on low density polyurethane foams reveal evidence of reaction at low impact pressures. However, these reaction thresholds are not evident over the low pressures reported for historical Hugoniot data of highly distended polyurethane at densities below 0.1 g/cc. To fill this gap, impact data given in a companion paper for polymethylene diisocyanate (PMDI) foam with a density of 0.087 g/cc were acquired for model validation. An equation of state (EOS) was developed to predict the shock response of these highly distended materials over the full range of impact conditions representing compaction of the inert material, low-pressure decomposition, and compression of the reaction products. A tabular SESAME EOS of the reaction products was generated using the JCZS database in the TIGER equilibrium code. In particular, the Arrhenius Burn EOS, a two-state model which transitions from an unreacted to a reacted state using single step Arrhenius kinetics, as implemented in the shock physics code CTH, was modified to include a statistical distribution of states. Hence, a single EOS is presented that predicts the onset to reaction due to shock loading in PMDI-based polyurethane foams. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's NNSA under Contract DE-AC04-94AL85000.

Flow throughout the Earth's core inverted from geomagnetic observations and numerical dynamo models

NASA Astrophysics Data System (ADS)

Aubert, Julien

2013-02-01

This paper introduces inverse geodynamo modelling, a framework imaging flow throughout the Earth's core from observations of the geomagnetic field and its secular variation. The necessary prior information is provided by statistics from 3-D and self-consistent numerical simulations of the geodynamo. The core method is a linear estimation (or Kalman filtering) procedure, combined with standard frozen-flux core surface flow inversions in order to handle the non-linearity of the problem. The inversion scheme is successfully validated using synthetic test experiments. A set of four numerical dynamo models of increasing physical complexity and similarity to the geomagnetic field is then used to invert for flows at single epochs within the period 1970-2010, using data from the geomagnetic field models CM4 and gufm-sat-Q3. The resulting core surface flows generally provide satisfactory fits to the secular variation within the level of modelled errors, and robustly reproduce the most commonly observed patterns while additionally presenting a high degree of equatorial symmetry. The corresponding deep flows present a robust, highly columnar structure once rotational constraints are enforced to a high level in the prior models, with patterns strikingly similar to the results of quasi-geostrophic inversions. In particular, the presence of a persistent planetary scale, eccentric westward columnar gyre circling around the inner core is confirmed. The strength of the approach is to uniquely determine the trade-off between fit to the data and complexity of the solution by clearly connecting it to first principle physics; statistical deviations observed between the inverted flows and the standard model behaviour can then be used to quantitatively assess the shortcomings of the physical modelling. Such deviations include the (i) westwards and (ii) hemispherical character of the eccentric gyre. A prior model with angular momentum conservation of the core-mantle inner-core system, and gravitational coupling of reasonable strength between the mantle and the inner core, is shown to produce enough westward drift to resolve statistical deviation (i). Deviation (ii) is resolved by a prior with an hemispherical buoyancy release at the inner-core boundary, with excess buoyancy below Asia. This latter result suggests that the recently proposed inner-core translational instability presently transports the solid inner-core material westwards, opposite to the seismologically inferred long-term trend but consistently with the eccentricity of the geomagnetic dipole in recent times.

Investigating Anomalies in the Output Generated by the Weather Research and Forecasting (WRF) Model

NASA Astrophysics Data System (ADS)

Decicco, Nicholas; Trout, Joseph; Manson, J. Russell; Rios, Manny; King, David

2015-04-01

The Weather Research and Forecasting (WRF) model is an advanced mesoscale numerical weather prediction (NWP) model comprised of two numerical cores, the Numerical Mesoscale Modeling (NMM) core, and the Advanced Research WRF (ARW) core. An investigation was done to determine the source of erroneous output generated by the NMM core. In particular were the appearance of zero values at regularly spaced grid cells in output fields and the NMM core's evident (mis)use of static geographic information at a resolution lower than the nesting level for which the core is performing computation. A brief discussion of the high-level modular architecture of the model is presented as well as methods utilized to identify the cause of these problems. Presented here are the initial results from a research grant, ``A Pilot Project to Investigate Wake Vortex Patterns and Weather Patterns at the Atlantic City Airport by the Richard Stockton College of NJ and the FAA''.

Models of the Earth's Core.

PubMed

Stevenson, D J

1981-11-06

Combined inferences from seismology, high-pressure experiment and theory, geomagnetism, fluid dynamics, and current views of terrestrial planetary evolution lead to models of the earth's core with the following properties. Core formation was contemporaneous with earth accretion; the core is not in chemical equilibrium with the mantle; the outer core is a fluid iron alloy containing significant quantities of lighter elements and is probably almost adiabatic and compositionally uniform; the more iron-rich inner solid core is a consequence of partial freezing of the outer core, and the energy release from this process sustains the earth's magnetic field; and the thermodynamic properties of the core are well constrained by the application of liquid-state theory to seismic and laboratory data.

Patterns of volcanism, weathering, and climate history from high-resolution geochemistry of the BINGO core, Mono Lake, California, USA

NASA Astrophysics Data System (ADS)

Zimmerman, S. R.; Starratt, S.; Hemming, S. R.

2012-12-01

Mono Lake, California is a closed-basin lake on the east side of the Sierra Nevada, and inflow from snowmelt dominates the modern hydrology. Changes in wetness during the last glacial period (>12,000 years ago) and over the last 2,000 years have been extensively described, but are poorly known for the intervening period. We have recovered a 6.25 m-long core from ~3 m of water in the western embayment of Mono Lake, which is shown by initial radiocarbon dates to cover at least the last 10,000 years. The sediments of the core are variable, ranging from black to gray silts near the base, laminated olive-green silt through the center, to layers of peach-colored carbonate nodules interbedded with gray and olive silts and pea-green organic ooze. Volcanic tephras from <1 to 8 cm thick occur throughout. Results of 0.5 cm-resolution scanning-X-Ray fluoresence (XRF) analysis describe changes in lithology due to volcanism, erosion, and changing lake level and chemistry. Titanium (Ti) is chemically and biologically unreactive, and records the dominant input, from weathering of Sierra Nevada granite to the west and Miocene and Pliocene volcanic rocks of the Bodie and Adobe Hills to the north, east, and south. The rhyolitic tephras of the Mono-Inyo Craters are much lower in TiO2 than the bedrock (<0.1% vs. 1-2%), and are an unweathered source of K2O (3.5-5%), and thus form dramatic peaks in the K/Ti ratio. Calcium (Ca) and Sr are well correlated throughout the core, and normalization of both by K (detritus + tephra) corresponds with occurrence of carbonate-rich layers. These are a mixture of authigenic precipitates directly precipitated and eroded into the lake during periods of regression. The lowermost 1.5 m of the BINGO core contains the highest proportion of detrital input to Mono Lake over the last ~12,000 years, recorded by high Si, Ti, K, and Fe, in black to dark-gray, fine-grained silts above 10 cm of pure light gray silt. Based on radiocarbon dates of >10,000 calibrated years before present (cal yr BP) higher in the core, and significant disruption of the fine layers, this interval likely indicates a relatively deep lake persisting into the early Holocene, after the initial dramatic regression from late Pleistocene levels. The finely laminated olive-green silt of the period ~10,700 to ~7500 cal yr BP is very homogenous chemically, probably indicating a stable, stratified lake and a relatively wet climate. This section merits mm-scale scanning and petrographic examination in the future. The upper boundary of the laminated section shows rising Ca/K and decreasing Ti and Si/K, marking the appearance of authigenic carbonate layers. After ~7500 cal yr BP, the sediment in BINGO becomes highly variable, with increased occurrence of tephra layers and carbonate, indicating a lower and more variable lake level. A short interval of olive-green, laminated fine sand/silt just above a radiocarbon date of 3870 ± 360 cal yr BP may record the Dechambeau Ranch highstand of Stine (1990; PPP v. 78 pp 333-381), and is marked by a distinct low in Ca/K, lasting ~1000 years. The low terminates in a dramatic rise in Ca/K to some of the highest levels in the core, suggesting a period of ~1000 years of extremely dry climate, dwarfing all of the variability in Ca/K, and likely lake level, over the last 2000 years.

Developing the HTA core model for the online environment.

PubMed

Lampe, Kristian; Pasternack, Iris; Saarekas, Oskari; Raustia, Leena; Cleemput, Irina; Corio, Mirella; Endel, Gottfried; Frønsdal, Katrine; Imaz, Iñaki; Kleijnen, Sarah; Kristensen, Finn; Rüther, Alric; Werkö, Sophie; Cerbo, Marina

2014-11-01

A framework for collaborative production and sharing of HTA information, the HTA Core Model, was originally developed within EUnetHTA in 2006-08. In this paper, we describe the further development of the Model to allow implementation and utilization of the Model online. The aim was to capture a generic HTA process that would allow effective use of the HTA Core Model and resulting HTA information while at the same time not interfering with HTA agencies' internal processes. The work was coordinated by a development team in Finland, supported by an international expert group. Two pilot testing rounds were organized among EUnetHTA agencies and two extensive core HTA projects tested the tool in a real setting. The final work was also formally validated by a group of HTA agencies. The HTA Core Model Online--available at http://www.corehta.info--is a web site hosting a) a tool to allow electronic utilization of the HTA Core Model and b) a database of produced HTA information. While access to the HTA information is free to all, the production features are currently available to EUnetHTA member agencies only. A policy was crafted to steer the use of the Model and produced information. We have successfully enabled electronic use of the HTA Core Model and agreed on a policy for its utilization. The system is already being used in subsequent HTA projects within EUnetHTA Joint Action 2. Identified shortcomings and further needs will be addressed in subsequent development.

Detonation Initiation of Heterogeneous Melt-Cast High Explosives

NASA Astrophysics Data System (ADS)

Chuzeville, Vincent; Baudin, Gerard; Lefrancois, Alexandre; Boulanger, Remi; Catoire, Laurent

2015-06-01

The melt-cast explosives' shock initiation mechanisms are less investigated than pressed and cast-cured ones. If the existence of hot-spots is widely recognized, their formation mechanism is not yet established. We study here two melt-cast explosives, NTO-TNT 60:40 and RDX-TNT 60:40 in order to establish a relation between the microstructure and the reaction rate using a two-phase model based on a ZND approach. Such a model requires the reaction rate, the equations of state of the unreacted phase and of the detonation products and an interaction model between the two phases to describe the reaction zone thermodynamics. The reaction rate law can be written in a factorized form including the number of initiation sites, the explosive's deflagration velocity around hot spots and a function depending on gas volume fraction produced by the deflagration front propagation. The deflagration velocity mainly depends on pressure and is determined from pop-plot tests using the hypothesis of the single curve build-up. This hypothesis has been verified for our two melt-cast explosives. The function depending on gas volume fraction is deduced from microstructural observations and from an analogy with the solid nucleation and growth theory. It has been established for deflagration fronts growing from grain's surface and a given initial grain size distribution. The model requires only a few parameters, calibrated thanks to an inversion method. A good agreement is obtained between experiments and numerical simulations.

Mercury in the national parks

USGS Publications Warehouse

Pritz, Colleen Flanagan; Eagles-Smith, Collin A.; Krabbenhoft, David

2014-01-01

One thing is certain: Even for trained researchers, predicting mercury’s behavior in the environment is challenging. Fundamentally it is one of 98 naturally occurring elements, with natural sources, such as volcanoes, and concentrated ore deposits, such as cinnabar. Yet there are also human-caused sources, such as emissions from both coal-burning power plants and mining operations for gold and silver. There are elemental forms, inorganic or organic forms, reactive and unreactive species. Mercury is emitted, then deposited, then re-emitted—thus earning its mercurial reputation. Most importantly, however, it is ultimately transferred into food chains through processes fueled by tiny microscopic creatures: bacteria.

Pressurized solid oxide fuel cell integral air accumular containment

DOEpatents

Gillett, James E.; Zafred, Paolo R.; Basel, Richard A.

2004-02-10

A fuel cell generator apparatus contains at least one fuel cell subassembly module in a module housing, where the housing is surrounded by a pressure vessel such that there is an air accumulator space, where the apparatus is associated with an air compressor of a turbine/generator/air compressor system, where pressurized air from the compressor passes into the space and occupies the space and then flows to the fuel cells in the subassembly module, where the air accumulation space provides an accumulator to control any unreacted fuel gas that might flow from the module.

Determination of anisotropy and multimorphology in fly ash based geopolymers

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

Khan, M. Irfan, E-mail: mirfanwazir@gmail.com; Azizli, Khairun, E-mail: khairun-azizli@petronas.com.my; Sufian, Suriati, E-mail: suriati@petronas.com.my

2015-07-22

In this study, Malaysian coal fly ash-based geopolymers were investigated for its morphology and chemical composition using scanning electron microscopy coupled with energy dispersive X-rays (SEM-EDX). Geopolymer was synthesized using sodium hydroxide as activator. SEM studies revealed multiphasous structure of the material, composed of geopolymeric gel, partially reacted fly ashparticles and selectively leached particles. EDX analysis confirmed the chemical composition of different regions. Infra red spectroscopic studies supported the SEM-EDX analysis by confirming presence of unreacted quartzite and mullite in geopolymers. It is concluded that geopolymers possese a non uniform chemistry through out the structure.

Cellular thermosetting fluoropolymers and process for making them

NASA Technical Reports Server (NTRS)

Lee, Sheng Y.

1988-01-01

Thermosetting fluoropolymer foams are made by mixing fluid from thermosetting fluoropolymer components having a substantial fluoride content, placing the mixture in a pressure tight chamber, filling the chamber with a gas, at a relatively low pressure, that is unreactive with the fluoropolymer components, allowing the mixture to gel, removing the gelled fluoropolymer from the chamber and therafter heating the fluoropolymer at a relatively low temperature to simultaneously cure and foam the fluoropolymer. The resulting fluoropolymer product is closed celled with the cells storing the gas employed for foaming. The fluoropolymer resins employed may be any thermosetting fluoropolymer including fluoroepoxies, fluoropolyurethanes and fluoroacrylates.

Cellular thermosetting fluorodiepoxide polymers

NASA Technical Reports Server (NTRS)

Lee, Sheng Y. (Inventor)

1989-01-01

Thermosetting fluoropolymer foams are made by mixing fluid form thermosetting fluoropolymer components having a substantial fluorine content, placing the mixture in a pressure tight chamber, filling the chamber with a gas, at relatively low pressure, that is unreactive with the fluoropolymer components, allowing the mixture to gel, removing the gelled fluoropolymer from the chamber and thereafter heating the fluoropolymer at a relatively low temperature to simultaneously sure and foam the fluoropolymer. The resulting fluoropolymer product is closed celled with the cells storing the gas employed for foaming. The fluoropolymer resins employed may be any thermosetting fluoropolymer including fluoroepoxies, fluoropolyurethanes and fluoroacrylates.

Determination of anisotropy and multimorphology in fly ash based geopolymers

NASA Astrophysics Data System (ADS)

Khan, M. Irfan; Azizli, Khairun; Sufian, Suriati; Man, Zakaria; Siyal, Ahmer Ali; Ullah, Hafeez

2015-07-01

In this study, Malaysian coal fly ash-based geopolymers were investigated for its morphology and chemical composition using scanning electron microscopy coupled with energy dispersive X-rays (SEM-EDX). Geopolymer was synthesized using sodium hydroxide as activator. SEM studies revealed multiphasous structure of the material, composed of geopolymeric gel, partially reacted fly ashparticles and selectively leached particles. EDX analysis confirmed the chemical composition of different regions. Infra red spectroscopic studies supported the SEM-EDX analysis by confirming presence of unreacted quartzite and mullite in geopolymers. It is concluded that geopolymers possese a non uniform chemistry through out the structure.

Transition Metal-Free Selective Double sp(3) C-H Oxidation of Cyclic Amines to 3-Alkoxyamine Lactams.

PubMed

Osorio-Nieto, Urbano; Chamorro-Arenas, Delfino; Quintero, Leticia; Höpfl, Herbert; Sartillo-Piscil, Fernando

2016-09-16

The first chemical method for selective dual sp(3) C-H functionalization at the alpha-and beta positions of cyclic amines to their corresponding 3-alkoxyamine lactams is reported. Unlike traditional Cα-H oxidation of amines to amides mediated by transition metals, the present protocol, which involves the use of NaClO2/TEMPO/NaClO in either aqueous or organic solvent, not only allows the Cα-H oxidation but also the subsequent functionalization of the unreactive β-methylene group in an unprecedented tandem fashion and using environmentally friendly reactants.

Photoinitiated polymerization of 1-vinylimidazole

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

Joshi, M.G.; Rodriguez, F.

1984-04-01

The photoinitiated polymerization of 1-vinylimidazole (VI) does not follow the classical kinetic scheme for free radical polymerization. Kinetic results for VI suggest a degradative addition reaction between the macroradical and the monomer to produce a relatively stable, unreactive radical, which does not reinitiate polymerization, is low, 1.5 kcal/mol. Among the 3 photoinitiators used, the highest quantum efficiency was demonstrated by 2,2'-diethoxyacetophenone followed by bezoin methyl ether and benzoin isopropyl ether. Under the experimental conditions used, the polymerization of VI does not proceed to complete conversion, and the phenomenon of dead-end polymerization is observed.

Strategies to limit colour changes when fortifying food products with iron.

PubMed

Habeych, Edwin; van Kogelenberg, Violet; Sagalowicz, Laurent; Michel, Martin; Galaffu, Nicola

2016-10-01

Iron, vitamin A, zinc and iodine have been recognized to be the micronutrients with the largest deficiencies worldwide. Among these, iron is highly reactive and may lead to negatively perceived organoleptic changes in products such as dull colour and off-taste. The colour change originated in fortified fruit-containing food products was confirmed to be the result of the complexation of iron and polyphenols. Phenolic compounds with two or more vicinal hydroxy benzyl moieties in their structure, such as catechols and pyrogallols were investigated for their ability to give bathochromic shift phenomena when mixed with iron salts. Furthermore, strategies for limiting colour development were based on: 1) pH adjustment; 2) saturation of polyphenols with unreactive divalent metal ions; 3) suppression of iron reactivity through complexation. Some of these strategies showed a significant improvement in colour stability, with the best results achieved by the latter. The findings in model systems gave a good insight of the mechanisms involved in colour changes, and results were transferable to iron fortified banana puree. Copyright © 2016 Elsevier Ltd. All rights reserved.

Recent advances in modeling Hugoniots with Cheetah

NASA Astrophysics Data System (ADS)

Glaesemann, Kurt

2005-07-01

The detonation of an energetic material is the result of a complex interaction between kinetic chemical reactions and thermodynamic chemical equilibrium. Unfortunately, little is known concerning the detailed chemical kinetics of reacting energetic materials. Cheetah uses rate laws to treat species with the slowest chemical reactions, while assuming other chemical species are in equilibrium. Cheetah supports a wide range of elements and condensed detonation products and can also be applied to gas phase reactions. Improvements have been made to Cheetah's equilibrium solver, that allow it to find a wider range of thermodynamic states. Many of the difficulties experienced by users in earlier versions of Cheetah have been fixed. New capabilities have also been added. The ultimate result is a code that can be applied to a wide range of shock problems involving both energetic and non-energetic materials. New experimental validations of Cheetah's equation of state methodology have been performed, including both reacted and unreacted Hugoniots. This work was performed under the auspices of the U.S. Department of Energy by the University of California Lawrence Livermore National Laboratory under contract No. W-7405-Eng-48.

Pyrolysis kinetics behavior of solid tire wastes available in Bangladesh.

PubMed

Islam, M Rofiqul; Haniu, H; Fardoushi, J

2009-02-01

Pyrolysis kinetics of available bicycle/rickshaw, motorcycle and truck tire wastes in Bangladesh have been investigated thermogravimetrically in a nitrogen atmosphere at heating rates of 10 and 60 degrees C/min over a temperature range of 30-800 degrees C. The three tire wastes exhibited similar behaviors in that, when heating rate was increased, the initial reaction temperature decreased but the reaction range and reaction rate increased. The percentage of total weight loss was higher for truck tire waste and lower for bicycle/rickshaw tire waste. The pyrolysis of truck tire waste was found to be easier than that of bicycle/rickshaw and motorcycle tire wastes while it was comparatively more difficult for motorcycle tire waste. The overall rate equation for the three tire wastes has been modeled satisfactorily by one simplified equation from which the kinetic parameters of unreacted materials based on the Arrhenius form can be determined. The predicted rate equation compares fairly well with the measured TG and DTG data. DTA curves for all of the samples show that the degradation reactions are three main exotherms and one endotherm.

Toxicity evaluation of process water from hydrothermal carbonization of sugarcane industry by-products.

PubMed

Fregolente, Laís Gomes; Miguel, Thaiz Batista Azevedo Rangel; de Castro Miguel, Emilio; de Almeida Melo, Camila; Moreira, Altair Benedito; Ferreira, Odair Pastor; Bisinoti, Márcia Cristina

2018-03-29

Hydrothermal carbonization (HTC) is a thermochemical process carried out in an aqueous medium. It is capable of converting biomass into a solid, carbon-rich material (hydrochar), and producing a liquid phase (process water) which contains the unreactive feedstock and/or chemical intermediates from the carbonization reaction. The aim of this study was to evaluate the characteristics of process water generated by HTC from vinasse and sugarcane bagasse produced by sugarcane industry and to evaluate its toxicity to both marine (using Artemia salina as a model organism) and the terrestrial environment (through seed germination studies of maize, lettuce, and tomato). The experiments showed that concentrated process water completely inhibited germination of maize, lettuce, and tomato seeds. On the other hand, diluted process water was able to stimulate seedlings of maize and tomato and enhance root and shoot growth. For Artemia, the LC 50 indicated that the process water is practically non-toxic; however, morphological changes, especially damages to the digestive tube and antennas of Artemia, were observed for the concentration of 1000 mg C L -1 .

Influence of vegetable oils fatty acid composition on reaction temperature and glycerides conversion to biodiesel during transesterification.

PubMed

Pinzi, S; Gandía, L M; Arzamendi, G; Ruiz, J J; Dorado, M P

2011-01-01

Presence of unreacted glycerides in biodiesel may reduce drastically its quality. This is why conversion of raw material in biodiesel through transesterification needs to readjust reaction parameter values to complete. In the present work, monitoring of glycerides transformation in biodiesel during the transesterification of vegetable oils was carried out. To check the influence of the chemical composition on glycerides conversion, selected vegetable oils covered a wide range of fatty acid composition. Reactions were carried out under alkali-transesterification in the presence of methanol. In addition, a multiple regression model was proposed. Results showed that kinetics depends on chemical and physical properties of the oils. It was found that the optimal reaction temperature depends on both length and unsaturation degree of vegetable oils fatty acid chains. Vegetable oils with higher degree of unsaturation exhibit faster monoglycerides conversion to biodiesel. It can be concluded that fatty acid composition influences reaction parameters and glycerides conversion, hence biodiesel yield and economic viability. Copyright © 2010 Elsevier Ltd. All rights reserved.

Lipophilization of Hydroxytyrosol-Enriched Fractions from Olea europaea L. Byproducts and Evaluation of the in Vitro Effects on a Model of Colorectal Cancer Cells.

PubMed

Bernini, Roberta; Carastro, Isabella; Palmini, Gaia; Tanini, Annalisa; Zonefrati, Roberto; Pinelli, Patrizia; Brandi, Maria Luisa; Romani, Annalisa

2017-08-09

A hydroxytyrosol (HTyr)-enriched fraction containing HTyr 6% w/w, derived from Olea europaea L. byproducts and obtained using an environmentally and economically sustainable technology, was lipophilized under green chemistry conditions. The effects of three fractions containing hydroxytyrosyl butanoate, octanoate, and oleate, named, respectively, lipophilic fractions 5, 6, and 7, and unreacted HTyr on the human colon cancer cell line HCT8-β8 engineered to overexpress estrogen receptor β (ERβ) were evaluated and compared to those of pure HTyr. The experimental data demonstrated that HTyr and all fractions showed an antiproliferative effect, as had been observed by the evaluation of the cellular doubling time under these different conditions (mean control, 32 ± 4 h; HTyr 1, 65 ± 9 h; fraction 5, 64 ± 11 h; fraction 6, 62 ± 14 h; fraction 7, 133 ± 30 h). As evidenced, fraction 7 containing hydroxytyrosyl oleate showed the highest activity. These results were related to the link with ER-β, which was assessed through simultaneous treatment with an inhibitor of ERβ.

Multi-core processing and scheduling performance in CMS

NASA Astrophysics Data System (ADS)

Hernández, J. M.; Evans, D.; Foulkes, S.

2012-12-01

Commodity hardware is going many-core. We might soon not be able to satisfy the job memory needs per core in the current single-core processing model in High Energy Physics. In addition, an ever increasing number of independent and incoherent jobs running on the same physical hardware not sharing resources might significantly affect processing performance. It will be essential to effectively utilize the multi-core architecture. CMS has incorporated support for multi-core processing in the event processing framework and the workload management system. Multi-core processing jobs share common data in memory, such us the code libraries, detector geometry and conditions data, resulting in a much lower memory usage than standard single-core independent jobs. Exploiting this new processing model requires a new model in computing resource allocation, departing from the standard single-core allocation for a job. The experiment job management system needs to have control over a larger quantum of resource since multi-core aware jobs require the scheduling of multiples cores simultaneously. CMS is exploring the approach of using whole nodes as unit in the workload management system where all cores of a node are allocated to a multi-core job. Whole-node scheduling allows for optimization of the data/workflow management (e.g. I/O caching, local merging) but efficient utilization of all scheduled cores is challenging. Dedicated whole-node queues have been setup at all Tier-1 centers for exploring multi-core processing workflows in CMS. We present the evaluation of the performance scheduling and executing multi-core workflows in whole-node queues compared to the standard single-core processing workflows.

Kinetics of carbonate mineral dissolution in CO2-acidified brines at storage reservoir conditions.

PubMed

Peng, Cheng; Anabaraonye, Benaiah U; Crawshaw, John P; Maitland, Geoffrey C; Trusler, J P Martin

2016-10-20

We report experimental measurements of the dissolution rate of several carbonate minerals in CO 2 -saturated water or brine at temperatures between 323 K and 373 K and at pressures up to 15 MPa. The dissolution kinetics of pure calcite were studied in CO 2 -saturated NaCl brines with molalities of up to 5 mol kg -1 . The results of these experiments were found to depend only weakly on the brine molality and to conform reasonably well with a kinetic model involving two parallel first-order reactions: one involving reactions with protons and the other involving reaction with carbonic acid. The dissolution rates of dolomite and magnesite were studied in both aqueous HCl solution and in CO 2 -saturated water. For these minerals, the dissolution rates could be explained by a simpler kinetic model involving only direct reaction between protons and the mineral surface. Finally, the rates of dissolution of two carbonate-reservoir analogue minerals (Ketton limestone and North-Sea chalk) in CO 2 -saturated water were found to follow the same kinetics as found for pure calcite. Vertical scanning interferometry was used to study the surface morphology of unreacted and reacted samples. The results of the present study may find application in reactive-flow simulations of CO 2 -injection into carbonate-mineral saline aquifers.

Testing the dynamic coupling of the core-mantle and inner core boundaries

NASA Astrophysics Data System (ADS)

Driscoll, Peter E.

2015-07-01

The proposal that the seismically observed hemispherical asymmetry of Earth's inner core is controlled by the heat flux structure imposed on the outer core by the lower mantle is tested with numerical dynamo models driven by mixed thermochemical convection. We find that models driven by a single core-mantle boundary (CMB) spherical harmonic of degree and mode 2, the dominant mode in lower mantle seismic shear velocity tomography, produce a similar structure at the inner core boundary (ICB) shifted 30∘ westward. The sensitivity of the ICB to the CMB is further tested by increasing the CMB heterogeneity amplitude. In addition, two seismic tomographic models are tested: first with CMB resolution up to degree and order 4, and second with resolution up to degree and order 8. We find time-averaged ICB heat flux in these cases to be similar at large scale, with small-scale differences due to higher CMB harmonics (above degree 4). The tomographic models produce "Earth-like" magnetic fields, while similar models with twice the CMB heat flow amplitudes produce less Earth-like fields, implying that increasing CMB heterogeneity forces the model out of an Earth-like regime. The dynamic ICB heat fluxes are compared to the proposed translation mode of the inner core to test whether the CMB controls inner core growth and structure. This test indicates that, although CMB tomography is unlikely to be driving inner core translation, the ICB heat flux response is weak enough to not interfere with the most unstable translation mode, if it is occurring.

Evaluation of HFIR LEU Fuel Using the COMSOL Multiphysics Platform

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

Primm, Trent; Ruggles, Arthur; Freels, James D

2009-03-01

A finite element computational approach to simulation of the High Flux Isotope Reactor (HFIR) Core Thermal-Fluid behavior is developed. These models were developed to facilitate design of a low enriched core for the HFIR, which will have different axial and radial flux profiles from the current HEU core and thus will require fuel and poison load optimization. This report outlines a stepwise implementation of this modeling approach using the commercial finite element code, COMSOL, with initial assessment of fuel, poison and clad conduction modeling capability, followed by assessment of mating of the fuel conduction models to a one dimensional fluidmore » model typical of legacy simulation techniques for the HFIR core. The model is then extended to fully couple 2-dimensional conduction in the fuel to a 2-dimensional thermo-fluid model of the coolant for a HFIR core cooling sub-channel with additional assessment of simulation outcomes. Finally, 3-dimensional simulations of a fuel plate and cooling channel are presented.« less

Impact of the dynamical core on the direct simulation of tropical cyclones in a high-resolution global model

DOE PAGES

Reed, K. A.; Bacmeister, J. T.; Rosenbloom, N. A.; ...

2015-05-13

Our paper examines the impact of the dynamical core on the simulation of tropical cyclone (TC) frequency, distribution, and intensity. The dynamical core, the central fluid flow component of any general circulation model (GCM), is often overlooked in the analysis of a model's ability to simulate TCs compared to the impact of more commonly documented components (e.g., physical parameterizations). The Community Atmosphere Model version 5 is configured with multiple dynamics packages. This analysis demonstrates that the dynamical core has a significant impact on storm intensity and frequency, even in the presence of similar large-scale environments. In particular, the spectral elementmore » core produces stronger TCs and more hurricanes than the finite-volume core using very similar parameterization packages despite the latter having a slightly more favorable TC environment. Furthermore, these results suggest that more detailed investigations into the impact of the GCM dynamical core on TC climatology are needed to fully understand these uncertainties. Key Points The impact of the GCM dynamical core is often overlooked in TC assessments The CAM5 dynamical core has a significant impact on TC frequency and intensity A larger effort is needed to better understand this uncertainty« less

Contraction Signatures toward Dense Cores in the Perseus Molecular Cloud

NASA Astrophysics Data System (ADS)

Campbell, J. L.; Friesen, R. K.; Martin, P. G.; Caselli, P.; Kauffmann, J.; Pineda, J. E.

2016-03-01

We report the results of an HCO+ (3-2) and N2D+ (3-2) molecular line survey performed toward 91 dense cores in the Perseus molecular cloud using the James Clerk Maxwell Telescope, to identify the fraction of starless and protostellar cores with systematic radial motions. We quantify the HCO+ asymmetry using a dimensionless asymmetry parameter δv, and identify 20 cores with significant blue or red line asymmetries in optically thick emission indicative of collapsing or expanding motions, respectively. We separately fit the HCO+ profiles with an analytic collapse model and determine contraction (expansion) speeds toward 22 cores. Comparing the δv and collapse model results, we find that δv is a good tracer of core contraction if the optically thin emission is aligned with the model-derived systemic velocity. The contraction speeds range from subsonic (0.03 km s-1) to supersonic (0.4 km s-1), where the supersonic contraction speeds may trace global rather than local core contraction. Most cores have contraction speeds significantly less than their free-fall speeds. Only 7 of 28 starless cores have spectra well-fit by the collapse model, which more than doubles (15 of 28) for protostellar cores. Starless cores with masses greater than the Jeans mass (M/MJ > 1) are somewhat more likely to show contraction motions. We find no trend of optically thin non-thermal line width with M/MJ, suggesting that any undetected contraction motions are small and subsonic. Most starless cores in Perseus are either not in a state of collapse or expansion, or are in a very early stage of collapse.

The caCORE Software Development Kit: streamlining construction of interoperable biomedical information services.

PubMed

Phillips, Joshua; Chilukuri, Ram; Fragoso, Gilberto; Warzel, Denise; Covitz, Peter A

2006-01-06

Robust, programmatically accessible biomedical information services that syntactically and semantically interoperate with other resources are challenging to construct. Such systems require the adoption of common information models, data representations and terminology standards as well as documented application programming interfaces (APIs). The National Cancer Institute (NCI) developed the cancer common ontologic representation environment (caCORE) to provide the infrastructure necessary to achieve interoperability across the systems it develops or sponsors. The caCORE Software Development Kit (SDK) was designed to provide developers both within and outside the NCI with the tools needed to construct such interoperable software systems. The caCORE SDK requires a Unified Modeling Language (UML) tool to begin the development workflow with the construction of a domain information model in the form of a UML Class Diagram. Models are annotated with concepts and definitions from a description logic terminology source using the Semantic Connector component. The annotated model is registered in the Cancer Data Standards Repository (caDSR) using the UML Loader component. System software is automatically generated using the Codegen component, which produces middleware that runs on an application server. The caCORE SDK was initially tested and validated using a seven-class UML model, and has been used to generate the caCORE production system, which includes models with dozens of classes. The deployed system supports access through object-oriented APIs with consistent syntax for retrieval of any type of data object across all classes in the original UML model. The caCORE SDK is currently being used by several development teams, including by participants in the cancer biomedical informatics grid (caBIG) program, to create compatible data services. caBIG compatibility standards are based upon caCORE resources, and thus the caCORE SDK has emerged as a key enabling technology for caBIG. The caCORE SDK substantially lowers the barrier to implementing systems that are syntactically and semantically interoperable by providing workflow and automation tools that standardize and expedite modeling, development, and deployment. It has gained acceptance among developers in the caBIG program, and is expected to provide a common mechanism for creating data service nodes on the data grid that is under development.

A volatile rich Earth's core?

NASA Astrophysics Data System (ADS)

Morard, G.; Antonangeli, D.; Andrault, D.; Nakajima, Y.

2017-12-01

The composition of the Earth's core is still an open question. Although mostly composed of iron, it contains impurities that lower its density and melting point with respect to pure Fe. Knowledge of the nature and abundance of light elements (O, S, Si, C or H) in the core has major implications for establishing the bulk composition of the Earth and for building the model of Earth's differentiation. Geochemical models of the Earth's formation point out that its building blocks were depleted in volatile elements compared to the chondritic abundance, therefore light elements such as S, H or C cannot be the major elements alloyed with iron in the Earth's core. However, such models should be compatible with the comparison of seismic properties of the Earth's core and physical properties of iron alloys under extreme conditions, such as sound velocity or density of solid and liquid. The present work will discuss the recent progress for compositional model issued from studies of phase diagrams and elastic properties of iron alloys under core conditions and highlight the compatibility of volatile elements with observed properties of the Earth's core, in potential contradiction with models derived from metal-silicate partitioning experiments.

Geological and geochemical studies of the Shujiadian porphyry Cu deposit, Anhui Province, Eastern China: Implications for ore genesis

NASA Astrophysics Data System (ADS)

Wang, Shiwei; Zhou, Taofa; Yuan, Feng; Fan, Yu; White, Noel C.; Lin, Fengjie

2015-05-01

Most porphyry deposits in the world occur in magmatic arc settings and are related to subduction of oceanic plates. A small proportion of porphyry deposits occur in intracontinental settings, however they are still poorly understood. Shujiadian, a newly-discovered porphyry Cu deposit, is located in the Middle-Lower Yangtze River Valley metallogenic belt and belongs to the intracontinental class. The deposit has classic alteration zones defined by a core of potassic alteration and local Ca-silicate alteration, which is overprinted by a feldspar-destructive alteration zone and cut by veins containing epidote and chlorite. Wallrocks of the deposit are unreactive quartz-rich sedimentary rocks. Three main paragenetic stages have been recognized based on petrographic observations; silicate stage, quartz-sulfide stage, and sulfide-carbonate stage. Quartz + pyrite + chalcopyrite ± molybdenite veins, and quartz + chalcopyrite + pyrite veins of the quartz-sulfide stage contribute most of the copper, and chalcopyrite + chlorite ± pyrite ± pyrrhotite ± quartz ± illite veins of the sulfide-carbonate stage also contribute part of the copper; all the mineralized veins are associated with feldspar-destructive alteration. Investigations on the fluid inclusions in Shujiadian indicate that the ore-forming fluids had four evolutionary episodes: immiscibility and overpressure in the silicate stage, boiling in the quartz-sulfide stage and mixing with meteoric water in the sulfide-carbonate stage. Sulfur and strontium isotope studies suggest that ore metals were mainly derived from magmatic-hydrothermal fluids, and combined with our study of fluid inclusions, we infer that decompression, changes in oxygen fugacity and sulfur content were the main factors that caused Cu precipitation. Compared with porphyry deposits in magmatic arc settings, there are some differences in the ore-bearing rock, alteration, and the composition of ore-forming fluids.

Solid charged-core model of ball lightning

NASA Astrophysics Data System (ADS)

Muldrew, D. B.

2010-01-01

In this study, ball lightning (BL) is assumed to have a solid, positively-charged core. According to this underlying assumption, the core is surrounded by a thin electron layer with a charge nearly equal in magnitude to that of the core. A vacuum exists between the core and the electron layer containing an intense electromagnetic (EM) field which is reflected and guided by the electron layer. The microwave EM field applies a ponderomotive force (radiation pressure) to the electrons preventing them from falling into the core. The energetic electrons ionize the air next to the electron layer forming a neutral plasma layer. The electric-field distributions and their associated frequencies in the ball are determined by applying boundary conditions to a differential equation given by Stratton (1941). It is then shown that the electron and plasma layers are sufficiently thick and dense to completely trap and guide the EM field. This model of BL is exceptional in that it can explain all or nearly all of the peculiar characteristics of BL. The ES energy associated with the core charge can be extremely large which can explain the observations that occasionally BL contains enormous energy. The mass of the core prevents the BL from rising like a helium-filled balloon - a problem with most plasma and burning-gas models. The positively charged core keeps the negatively charged electron layer from diffusing away, i.e. it holds the ball together; other models do not have a mechanism to do this. The high electrical charges on the core and in the electron layer explains why some people have been electrocuted by BL. Experiments indicate that BL radiates microwaves upon exploding and this is consistent with the model. The fact that this novel model of BL can explain these and other observations is strong evidence that the model should be taken seriously.

A first step to compare geodynamical models and seismic observations of the inner core

NASA Astrophysics Data System (ADS)

Lasbleis, M.; Waszek, L.; Day, E. A.

2016-12-01

Seismic observations have revealed a complex inner core, with lateral and radial heterogeneities at all observable scales. The dominant feature is the east-west hemispherical dichotomy in seismic velocity and attenuation. Several geodynamical models have been proposed to explain the observed structure: convective instabilities, external forces, crystallisation processes or influence of outer core convection. However, interpreting such geodynamical models in terms of the seismic observations is difficult, and has been performed only for very specific models (Geballe 2013, Lincot 2014, 2016). Here, we propose a common framework to make such comparisons. We have developed a Python code that propagates seismic ray paths through kinematic geodynamical models for the inner core, computing a synthetic seismic data set that can be compared to seismic observations. Following the method of Geballe 2013, we start with the simple model of translation. For this, the seismic velocity is proposed to be function of the age or initial growth rate of the material (since there is no deformation included in our models); the assumption is reasonable when considering translation, growth and super rotation of the inner core. Using both artificial (random) seismic ray data sets and a real inner core data set (from Waszek et al. 2011), we compare these different models. Our goal is to determine the model which best matches the seismic observations. Preliminary results show that super rotation successfully creates an eastward shift in properties with depth, as has been observed seismically. Neither the growth rate of inner core material nor the relationship between crystal size and seismic velocity are well constrained. Consequently our method does not directly compute the seismic travel times. Instead, here we use age, growth rate and other parameters as proxies for the seismic properties, which represent a good first step to compare geodynamical and seismic observations.Ultimately we aim to release our codes to broader scientific community, allowing researchers from all disciplines to test their models of inner core growth against seismic observations or create a kinematic model for the evolution of the inner core which matches new geophysical observations.

Models of the earth's core

NASA Technical Reports Server (NTRS)

Stevenson, D. J.

1981-01-01

Combined inferences from seismology, high-pressure experiment and theory, geomagnetism, fluid dynamics, and current views of terrestrial planetary evolution lead to models of the earth's core with five basic properties. These are that core formation was contemporaneous with earth accretion; the core is not in chemical equilibrium with the mantle; the outer core is a fluid iron alloy containing significant quantities of lighter elements and is probably almost adiabatic and compositionally uniform; the more iron-rich inner solid core is a consequence of partial freezing of the outer core, and the energy release from this process sustains the earth's magnetic field; and the thermodynamic properties of the core are well constrained by the application of liquid-state theory to seismic and labroatory data.

Chronology from sediment cores collected in southwestern Everglades National Park, Florida

USGS Publications Warehouse

Bernhardt, C.E.; Wingard, G.L.; Willard, D.A.; Marot, M.E.; Landacre, B.; Holmes, C.W.

2013-01-01

Age model data are presented for 10 cores from the southwestern coastal mangrove zone of Everglades National Park, Florida, collected in Common Era (CE) 2004 and 2005 and used for paleoecological analysis. Carbon-14 (14C), lead-210 (210Pb), cesium-137 (137Cs), radium-226 (226Ra), and pollen biostratigraphic information is included, and age models were generated for 6 of the 10 cores. Age reversals and sediment disturbance prevented construction of age models on the remaining four cores. Four cores present a continuous record of the last 50 to 100 years, making them useful for analyzing the impacts caused by changes in water management in south Florida. These cores are Harney River 2A and Harney River 1A, Shark River 2A, and Roberts River.

Insights into Mercury's interior structure from geodesy measurements and global contraction

NASA Astrophysics Data System (ADS)

Rivoldini, A.; Van Hoolst, T.

2014-04-01

The measurements of the gravitational field of Mercury by MESSENGER [6] and improved measurements of the spin state of Mercury [3] provide important insights on its interior structure. In particular, these data give strong constraints on the radius and density of Mercury's core [5, 2]. However, present geodesy data do not provide strong constraints on the radius of the inner core. The data allow for models with a fully molten liquid core to models which have an inner core radius that is smaller than about 1760km [5], if it is assumed that sulfur is the only light element in the core. Models without an inner core are, however, at odds with the observed internally generated magnetic field of Mercury since Mercury's dynamo cannot operate by secular cooling alone at present. The present radius of the inner core depends mainly on Mercury's thermal state and light elements inside the core. Because of the secular cooling of the planet,the temperature inside the core drops below the liquidus temperature of the core material somewhere in the core and leads to the formation of an inner core and to the global contraction of the planet. The amount of contraction depends on the temperature decrease, on the thermal expansion of the materials inside the planet, and on the volume of crystallized liquid core alloy. In this study we use geodesy data, the recent estimate about the radial contraction of Mercury [1], and thermo-chemical evolution calculations in order to improve our knowledge about Mercury's inner core radius and thermal state. Since data from remote sensing of Mercury's surface [4] indicate that Mercury formed under reducing conditions we consider models that have sulfur and silicon as light elements inside their core. Unlike sulfur, which does almost not partition into solid iron under Mercury's core pressure and temperature conditions, silicon partitions virtually equally between solid and liquid iron. As a consequence, the density difference between the liquid and the crystallized material is smaller than for sulfur as only light element inside the core and therefore, for a given inner core radius the contraction of the planet is likely smaller.

A semi-analytic dynamical friction model for cored galaxies

NASA Astrophysics Data System (ADS)

Petts, J. A.; Read, J. I.; Gualandris, A.

2016-11-01

We present a dynamical friction model based on Chandrasekhar's formula that reproduces the fast inspiral and stalling experienced by satellites orbiting galaxies with a large constant density core. We show that the fast inspiral phase does not owe to resonance. Rather, it owes to the background velocity distribution function for the constant density core being dissimilar from the usually assumed Maxwellian distribution. Using the correct background velocity distribution function and our semi-analytic model from previous work, we are able to correctly reproduce the infall rate in both cored and cusped potentials. However, in the case of large cores, our model is no longer able to correctly capture core-stalling. We show that this stalling owes to the tidal radius of the satellite approaching the size of the core. By switching off dynamical friction when rt(r) = r (where rt is the tidal radius at the satellite's position), we arrive at a model which reproduces the N-body results remarkably well. Since the tidal radius can be very large for constant density background distributions, our model recovers the result that stalling can occur for Ms/Menc ≪ 1, where Ms and Menc are the mass of the satellite and the enclosed galaxy mass, respectively. Finally, we include the contribution to dynamical friction that comes from stars moving faster than the satellite. This next-to-leading order effect becomes the dominant driver of inspiral near the core region, prior to stalling.

Core formation and core composition from coupled geochemical and geophysical constraints

DOE PAGES

Badro, James; Brodholt, John P.; Piet, Helene; ...

2015-09-21

The formation of Earth’s core left behind geophysical and geochemical signatures in both the core and mantle that remain to this day. Seismology requires that the core be lighter than pure iron and therefore must contain light elements, and the geochemistry of mantle-derived rocks reveals extensive siderophile element depletion and fractionation. Both features are inherited from metal–silicate differentiation in primitive Earth and depend upon the nature of physiochemical conditions that prevailed during core formation. To date, core formation models have only attempted to address the evolution of core and mantle compositional signatures separately, rather than seeking a joint solution. Heremore » we combine experimental petrology, geochemistry, mineral physics and seismology to constrain a range of core formation conditions that satisfy both constraints. We find that core formation occurred in a hot (liquidus) yet moderately deep magma ocean not exceeding 1,800 km depth, under redox conditions more oxidized than present-day Earth. This new scenario, at odds with the current belief that core formation occurred under reducing conditions, proposes that Earth’s magma ocean started oxidized and has become reduced through time, by oxygen incorporation into the core. As a result, this core formation model produces a core that contains 2.7–5% oxygen along with 2–3.6% silicon, with densities and velocities in accord with radial seismic models, and leaves behind a silicate mantle that matches the observed mantle abundances of nickel, cobalt, chromium, and vanadium.« less

Core formation and core composition from coupled geochemical and geophysical constraints

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

Badro, James; Brodholt, John P.; Piet, Helene

The formation of Earth’s core left behind geophysical and geochemical signatures in both the core and mantle that remain to this day. Seismology requires that the core be lighter than pure iron and therefore must contain light elements, and the geochemistry of mantle-derived rocks reveals extensive siderophile element depletion and fractionation. Both features are inherited from metal–silicate differentiation in primitive Earth and depend upon the nature of physiochemical conditions that prevailed during core formation. To date, core formation models have only attempted to address the evolution of core and mantle compositional signatures separately, rather than seeking a joint solution. Heremore » we combine experimental petrology, geochemistry, mineral physics and seismology to constrain a range of core formation conditions that satisfy both constraints. We find that core formation occurred in a hot (liquidus) yet moderately deep magma ocean not exceeding 1,800 km depth, under redox conditions more oxidized than present-day Earth. This new scenario, at odds with the current belief that core formation occurred under reducing conditions, proposes that Earth’s magma ocean started oxidized and has become reduced through time, by oxygen incorporation into the core. As a result, this core formation model produces a core that contains 2.7–5% oxygen along with 2–3.6% silicon, with densities and velocities in accord with radial seismic models, and leaves behind a silicate mantle that matches the observed mantle abundances of nickel, cobalt, chromium, and vanadium.« less

The use of CORE model by metacognitive skill approach in developing characters junior high school students

NASA Astrophysics Data System (ADS)

Fisher, Dahlia; Yaniawati, Poppy; Kusumah, Yaya Sukjaya

2017-08-01

This study aims to analyze the character of students who obtain CORE learning model using metacognitive approach. The method in this study is qualitative research and quantitative research design (Mixed Method Design) with concurrent embedded strategy. The research was conducted on two groups: an experimental group and the control group. An experimental group consists of students who had CORE model learning using metacognitive approach while the control group consists of students taught by conventional learning. The study was conducted the object this research is the seventh grader students in one the public junior high schools in Bandung. Based on this research, it is known that the characters of the students in the CORE model learning through metacognitive approach is: honest, hard work, curious, conscientious, creative and communicative. Overall it can be concluded that CORE model learning is good for developing characters of a junior high school student.

The core learning objectives education model: an approach to the teaching of core concepts in the clinical clerkship.

PubMed

Rapp, David E; Lyon, Mark B; Orvieto, Marcelo A; Zagaja, Gregory P

2005-10-01

The classical approach to the undergraduate medical clerkship has several limitations, including variability of clinical exposure and method of examination. As a result, the clerkship experience does not ensure exposure to and reinforcement of the fundamental concepts of a given specialty. This article reviews the classic approach to clerkship education within the undergraduate medical education. Specific attention is placed on clinical exposure and clerkship examination. We describe the introduction of the Core Learning Objective (CLO) educational model at the University of Chicago Section of Urology. This model is designed to provide an efficient exposure to and evaluation of core clerkship learning objectives. The CLO model has been successfully initiated, focusing on both technical and clinical skill sets. The proposed model has been introduced with positive initial results and should allow for an efficient approach to the teaching and evaluation of core objectives in clerkship education.

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

NASA Astrophysics Data System (ADS)

Carrião, Marcus S.; Bakuzis, Andris F.

2016-04-01

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

Multi-core processing and scheduling performance in CMS

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

Hernandez, J. M.; Evans, D.; Foulkes, S.

2012-01-01

Commodity hardware is going many-core. We might soon not be able to satisfy the job memory needs per core in the current single-core processing model in High Energy Physics. In addition, an ever increasing number of independent and incoherent jobs running on the same physical hardware not sharing resources might significantly affect processing performance. It will be essential to effectively utilize the multi-core architecture. CMS has incorporated support for multi-core processing in the event processing framework and the workload management system. Multi-core processing jobs share common data in memory, such us the code libraries, detector geometry and conditions data, resultingmore » in a much lower memory usage than standard single-core independent jobs. Exploiting this new processing model requires a new model in computing resource allocation, departing from the standard single-core allocation for a job. The experiment job management system needs to have control over a larger quantum of resource since multi-core aware jobs require the scheduling of multiples cores simultaneously. CMS is exploring the approach of using whole nodes as unit in the workload management system where all cores of a node are allocated to a multi-core job. Whole-node scheduling allows for optimization of the data/workflow management (e.g. I/O caching, local merging) but efficient utilization of all scheduled cores is challenging. Dedicated whole-node queues have been setup at all Tier-1 centers for exploring multi-core processing workflows in CMS. We present the evaluation of the performance scheduling and executing multi-core workflows in whole-node queues compared to the standard single-core processing workflows.« less

Inhibition of hydroxyl radical reaction with aromatics by dissolved natural organic matter

USGS Publications Warehouse

Lindsey, M.E.; Tarr, M.A.

2000-01-01

Reaction of aromatic compounds with hydroxyl radical is inhibited by dissolved natural organic matter (NOM). The degree of inhibition is significantly greater than that expected based on a simple model in which aromatic compound molecules bound to NOM are considered to be unreactive. In this study, hydroxyl radical was produced at steady-state concentrations using Fenton chemistry (H2O2 + Fe2+ ??? Fe3+ + HO- + HO??). Suwannee River fulvic acid and humic acid were used as NOM. The most likely mechanism for the observed inhibition is that hydroxyl radical formation occurs in microenvironmental sites remote from the aromatic compounds. In addition to changes in kinetics, pyrene hydroxyl radical reaction also exhibited a mechanistic change in the presence of fulvic acid. The mechanism changed from a reaction that was apparently firstorder in pyrene to one that was apparently secondorder in pyrene, indicating that pyrene self-reaction may have become the dominant mechanism in the presence of fulvic acid. Dissolved NOM causes significant changes in the rate and mechanism of hydroxyl radical degradation of aromatic compounds. Consequently, literature rate constants measured in pure water will not be useful for predicting the degradation of pollutants in environmental systems. The kinetic and mechanistic information in this study will be useful for developing improved degradation methods involving Fenton chemistry.Reaction of aromatic compounds with hydroxyl radical is inhibited by dissolved natural organic matter (NOM). The degree of inhibition is significantly greater than that expected based on a simple model in which aromatic compounds molecules bounds to NOM are considered to be unreactive. In this study, hydroxyl radical was produced at steady-state concentrations using Fenton chemistry (H2O2 + Fe2+ ??? Fe3+ + HO- + HO??). Suwannee River fulvic acid and humic acid were used as NOM. The most likely mechanisms for the observed inhibition is that hydroxyl radical formation occurs in microenvironmental sites remote from the aromatic compounds. In addition to changes in kinetics, pyrene hydroxyl radical reaction also exhibited a mechanistic change in the presence of fulvic acid. The mechanism changed from a reaction that was apparently first-order in pyrene to one that was apparently second-order in pyrene, indicating that pyrene self-reaction may have become the dominant mechanism in the presence of fulvic acid. Dissolved NOM causes significant changes in the rate and mechanism of hydroxyl radical degradation of aromatic compounds. Consequently, literature rate constants measured in pure water will not be useful for predicting the degradation of pollutants in environmental systems. The kinetic and mechanistic information in this study will be useful for developing improved degradation methods involving Fenton chemistry.

Group delay spread analysis of coupled-multicore fibers: A comparison between weak and tight bending conditions

NASA Astrophysics Data System (ADS)

Fujisawa, Takeshi; Saitoh, Kunimasa

2017-06-01

Group delay spread of coupled three-core fiber is investigated based on coupled-wave theory. The differences between supermode and discrete core mode models are thoroughly investigated to reveal applicability of both models for specific fiber bending condition. A macrobending with random twisting is taken into account for random modal mixing in the fiber. It is found that for weakly bent condition, both supermode and discrete core mode models are applicable. On the other hand, for strongly bent condition, the discrete core mode model should be used to account for increased differential modal group delay for the fiber without twisting and short correlation length, which were experimentally observed recently. Results presented in this paper indicate the discrete core mode model is superior to the supermode model for the analysis of coupled-multicore fibers for various bent condition. Also, for estimating GDS of coupled-multicore fiber, it is critically important to take into account the fiber bending condition.

Defining the Estimated Core Genome of Bacterial Populations Using a Bayesian Decision Model

PubMed Central

van Tonder, Andries J.; Mistry, Shilan; Bray, James E.; Hill, Dorothea M. C.; Cody, Alison J.; Farmer, Chris L.; Klugman, Keith P.; von Gottberg, Anne; Bentley, Stephen D.; Parkhill, Julian; Jolley, Keith A.; Maiden, Martin C. J.; Brueggemann, Angela B.

2014-01-01

The bacterial core genome is of intense interest and the volume of whole genome sequence data in the public domain available to investigate it has increased dramatically. The aim of our study was to develop a model to estimate the bacterial core genome from next-generation whole genome sequencing data and use this model to identify novel genes associated with important biological functions. Five bacterial datasets were analysed, comprising 2096 genomes in total. We developed a Bayesian decision model to estimate the number of core genes, calculated pairwise evolutionary distances (p-distances) based on nucleotide sequence diversity, and plotted the median p-distance for each core gene relative to its genome location. We designed visually-informative genome diagrams to depict areas of interest in genomes. Case studies demonstrated how the model could identify areas for further study, e.g. 25% of the core genes with higher sequence diversity in the Campylobacter jejuni and Neisseria meningitidis genomes encoded hypothetical proteins. The core gene with the highest p-distance value in C. jejuni was annotated in the reference genome as a putative hydrolase, but further work revealed that it shared sequence homology with beta-lactamase/metallo-beta-lactamases (enzymes that provide resistance to a range of broad-spectrum antibiotics) and thioredoxin reductase genes (which reduce oxidative stress and are essential for DNA replication) in other C. jejuni genomes. Our Bayesian model of estimating the core genome is principled, easy to use and can be applied to large genome datasets. This study also highlighted the lack of knowledge currently available for many core genes in bacterial genomes of significant global public health importance. PMID:25144616

CONTRACTION SIGNATURES TOWARD DENSE CORES IN THE PERSEUS MOLECULAR CLOUD

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

Campbell, J. L.; Friesen, R. K.; Martin, P. G.

We report the results of an HCO{sup +} (3–2) and N{sub 2}D{sup +} (3–2) molecular line survey performed toward 91 dense cores in the Perseus molecular cloud using the James Clerk Maxwell Telescope, to identify the fraction of starless and protostellar cores with systematic radial motions. We quantify the HCO{sup +} asymmetry using a dimensionless asymmetry parameter δ{sub v}, and identify 20 cores with significant blue or red line asymmetries in optically thick emission indicative of collapsing or expanding motions, respectively. We separately fit the HCO{sup +} profiles with an analytic collapse model and determine contraction (expansion) speeds toward 22more » cores. Comparing the δ{sub v} and collapse model results, we find that δ{sub v} is a good tracer of core contraction if the optically thin emission is aligned with the model-derived systemic velocity. The contraction speeds range from subsonic (0.03 km s{sup −1}) to supersonic (0.4 km s{sup −1}), where the supersonic contraction speeds may trace global rather than local core contraction. Most cores have contraction speeds significantly less than their free-fall speeds. Only 7 of 28 starless cores have spectra well-fit by the collapse model, which more than doubles (15 of 28) for protostellar cores. Starless cores with masses greater than the Jeans mass (M/M{sub J} > 1) are somewhat more likely to show contraction motions. We find no trend of optically thin non-thermal line width with M/M{sub J}, suggesting that any undetected contraction motions are small and subsonic. Most starless cores in Perseus are either not in a state of collapse or expansion, or are in a very early stage of collapse.« less

Dual-core mass-balance approach for evaluating mercury and210Pb atmospheric fallout and focusing to lakes

USGS Publications Warehouse

Van Metre, P.C.; Fuller, C.C.

2009-01-01

Determining atmospheric deposition rates of mercury and other contaminants using lake sediment cores requires a quantitative understanding of sediment focusing. Here we present a novel approach that solves mass-balance equations for two cores algebraically to estimate contaminant contributions to sediment from direct atmospheric fallout and from watershed and in-lake focusing. The model is applied to excess 210Pb and Hg in cores from Hobbs Lake, a high-altitude lake in Wyoming. Model results for excess 210Pb are consistent with estimates of fallout and focusing factors computed using excess 210Pb burdens in lake cores and soil cores from the watershed and model results for Hg fallout are consistent with fallout estimated using the soil-core-based 210Pb focusing factors. The lake cores indicate small increases in mercury deposition beginning in the late 1800s and large increases after 1940, with the maximum at the tops of the cores of 16-20 ??g/m 2year. These results suggest that global Hg emissions and possibly regional emissions in the western United States are affecting the north-central Rocky Mountains. Hg fallout estimates are generally consistent with fallout reported from an ice core from the nearby Upper Fremont Glacier, but with several notable differences. The model might not work for lakes with complex geometries and multiple sediment inputs, but for lakes with simple geometries, like Hobbs, it can provide a quantitative approach for evaluating sediment focusing and estimating contaminant fallout.

Evaluation of two cold thermoregulatory models for prediction of core temperature during exercise in cold water.

PubMed

Castellani, John W; O'Brien, Catherine; Tikuisis, Peter; Sils, Ingrid V; Xu, Xiaojiang

2007-12-01

Cold thermoregulatory models (CTM) have primarily been developed to predict core temperature (T(core)) responses during sedentary immersion. Few studies have examined their efficacy to predict T(core) during exercise cold exposure. The purpose of this study was to compare observed T(core) responses during exercise in cold water with the predicted T(core) from a three-cylinder (3-CTM) and a six-cylinder (6-CTM) model, adjusted to include heat production from exercise. A matrix of two metabolic rates (0.44 and 0.88 m/s walking), two water temperatures (10 and 15 degrees C), and two immersion depths (chest and waist) were used to elicit different rates of T(core) changes. Root mean square deviation (RMSD) and nonparametric Bland-Altman tests were used to test for acceptable model predictions. Using the RMSD criterion, the 3-CTM did not fit the observed data in any trial, whereas the 6-CTM fit the data (RMSD less than standard deviation) in four of eight trials. In general, the 3-CTM predicted a rapid decline in core temperature followed by a plateau. For the 6-CTM, the predicted T(core) appeared relatively tight during the early part of immersion, but was much lower during the latter portions of immersion, accounting for the nonagreement between RMSD and SD values. The 6-CTM was rerun with no adjustment for exercise metabolism, and core temperature and heat loss predictions were tighter. In summary, this study demonstrated that both thermoregulatory models designed for sedentary cold exposure, currently, cannot be extended for use during partial immersion exercise in cold water. Algorithms need to be developed to better predict heat loss during exercise in cold water.

Comparing Four Age Model Techniques using Nine Sediment Cores from the Iberian Margin

NASA Astrophysics Data System (ADS)

Lisiecki, L. E.; Jones, A. M.; Lawrence, C.

2017-12-01

Interpretations of paleoclimate records from ocean sediment cores rely on age models, which provide estimates of age as a function of core depth. Here we compare four methods used to generate age models for sediment cores for the past 140 kyr. The first method is based on radiocarbon dating using the Bayesian statistical software, Bacon [Blaauw and Christen, 2011]. The second method aligns benthic δ18O to a target core using the probabilistic alignment algorithm, HMM-Match, which also generates age uncertainty estimates [Lin et al., 2014]. The third and fourth methods are planktonic δ18O and sea surface temperature (SST) alignments to the same target core, using the alignment algorithm Match [Lisiecki and Lisiecki, 2002]. Unlike HMM-Match, Match requires parameter tuning and does not produce uncertainty estimates. The results of these four age model techniques are compared for nine high-resolution cores from the Iberian margin. The root mean square error between the individual age model results and each core's average estimated age is 1.4 kyr. Additionally, HMM-Match and Bacon age estimates agree to within uncertainty and have similar 95% confidence widths of 1-2 kyr for the highest resolution records. In one core, the planktonic and SST alignments did not fall within the 95% confidence intervals from HMM-Match. For this core, the surface proxy alignments likely produce more reliable results due to millennial-scale SST variability and the presence of several gaps in the benthic δ18O data. Similar studies of other oceanographic regions are needed to determine the spatial extents over which these climate proxies may be stratigraphically correlated.

Two Variants of a High-Throughput Fluorescent Microplate Assay of Polysaccharide Endotransglycosylases.

PubMed

Kováčová, Kristína; Farkaš, Vladimír

2016-04-01

Polysaccharide endotransglycosylases (PETs) are the cell wall-modifying enzymes of fungi and plants. They catalyze random endo-splitting of the polysaccharide donor molecule and transfer of the newly formed reducing sugar residue to the nonreducing end of an acceptor molecule which can be a polysaccharide or an oligosaccharide. Owing to their important role in the cell wall formation, the inhibition of PETs represents an attractive strategy in the fight against fungal infections. We have elaborated two variants of a versatile high-throughput microplate fluorimetric assay that could be used for effective identification of PETs and screening of their inhibitors. Both assays use the respective polysaccharides as the donors and sulforhodamine-labeled oligosaccharides as the acceptors but differ from each other by mode of how the labeled polysaccharide products of transglycosylation are separated from the unreacted oligosaccharide acceptors. In the first variant, the reactions take place in a layer of agar gel laid on the bottoms of the wells of a microtitration plate. After the reaction, the high-Mr transglycosylation products are precipitated with 66 % ethanol and retained within the gel while the low-Mr products and the unreacted acceptors are washed out. In the second variant, the donor polysaccharides are adsorbed to the surface of a microplate well and remain adsorbed there also after becoming labeled in the course of the transglycosylation reaction whereas the unused low-Mr acceptors are washed out. As a proof of versatility, assays of heterologously expressed transglycosylases ScGas1, ScCrh1, and ScCrh2 from the yeast Saccharomyces cerevisiae, CaPhr1 and CaPhr2 from Candida albicans, and of a plant xyloglucan endotransglycosylase (XET) are demonstrated.

Byproduct-free mass production of compound semiconductor nanowires: zinc phosphide

NASA Astrophysics Data System (ADS)

Chen, Yixi; Polinnaya, Rakesh; Vaddiraju, Sreeram

2018-05-01

A method for the mass production of compound semiconductor nanowires that involves the direct reaction of component elements in a chemical vapor deposition chamber (CVD) is presented. This method results in nanowires, without the associated production of any other byproducts such as nanoparticles or three-dimensional (3D) bulk crystals. Furthermore, no unreacted reactants remain mixed with the nanowire product in this method. This byproduct-free nanowire production thus circumvents the need to tediously purify and collect nanowires from a mixture of products/reactants after their synthesis. Demonstration made using zinc phosphide (Zn3P2) material system as an example indicated that the direct reaction of zinc microparticles with phosphorus supplied via the vapor phase results in the production of gram quantities of nanowires. To enhance thermal transport and achieve the complete reaction of zinc microparticles, while simultaneously ensuring that the microparticles do not agglomerate into macroscale zinc particles and partly remain unreacted (owing to diffusion limitations), pellets composed of mixtures of zinc and a sacrificial salt, NH4Cl, were employed as the starting material. The sublimation by decomposition of NH4Cl in the early stages of the reaction leaves a highly porous pellet of zinc composed of only zinc microparticles, which allows for inward diffusion of phosphorus/outward diffusion of zinc and the complete conversion of zinc into Zn3P2 nanowires. NH4Cl also aids in removal of any native oxide layer present on the zinc microparticles that may prevent their reaction with phosphorus. This method may be used to mass produce many other nanowires in a byproduct-free manner, besides Zn3P2.

Probing interfacial reactions with x-ray reflectivity and x-ray reflection interface microscopy : influence of NaCl on the dissolution of orthoclase at pOH2 and 85 {degree} C.

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

Fenter, P.; Lee, S. S.; Park, C.

2010-01-01

The role of electrolyte ions in the dissolution of orthoclase (0 0 1) in 0.01 m NaOH (pOH {approx} 2) at 84 {+-} 1 C is studied using a combination of in-situ X-ray reflectivity (XR) and ex-situ X-ray reflection interface microscopy (XRIM). The real-time XR measurements show characteristic intensity oscillations as a function of time indicative of the successive removal of individual layers. The dissolution rate in 0.01 m NaOH increases approximately linearly with increasing NaCl concentration up to 2 m NaCl. XRIM measurements of the lateral interfacial topography/structure were made for unreacted surfaces and those reacted in 0.01 mmore » NaOH/1.0 m NaCl solution for 15, 30 and 58 min. The XRIM images reveal that the dissolution reaction leads to the formation of micron-scale regions that are characterized by intrinsically lower reflectivity than the unreacted regions, and appears to be nucleated at steps and defect sites. The reflectivity signal from these reacted regions in the presence of NaCl in solution is significantly lower than that calculated from an idealized layer-by-layer dissolution process, as observed previously in 0.1 m NaOH in the absence of added electrolyte. This difference suggests that dissolved NaCl results in a higher terrace reactivity leading to a more three-dimensional process, consistent with the real-time XR measurements. These observations demonstrate the feasibility of XRIM to gain new insights into processes that control interfacial reactivity, specifically the role of electrolytes in feldspar dissolution at alkaline conditions.« less

A complex magma mixing origin for rocks erupted in 1915, Lassen Peak, California

USGS Publications Warehouse

Clynne, M.A.

1999-01-01

The eruption of Lassen Peak in May 1915 produced four volcanic rock types within 3 days, and in the following order: (1) hybrid black dacite lava containing (2) undercooled andesitic inclusions, (3) compositionally banded pumice with dark andesite and light dacite bands, and (4) unbanded light dacite. All types represent stages of a complex mixing process between basaltic andesite and dacite that was interrupted by the eruption. They contain disequilibrium phenocryst assemblages characterized by the co-existence of magnesian olivine and quartz and by reacted and unreacted phenocrysts derived from the dacite. The petrography and crystal chemistry of the phenocrysts and the variation in rock compositions indicate that basaltic andesite intruded dacite magma and partially hybridized with it. Phenocrysts from the dacite magma were reacted. Cooling, cyrstallization, and vesiculation of the hybrid andesite magma converted it to a layer of mafic foam. The decreased density of the andesite magma destabilized and disrupted the foam. Blobs of foam rose into and were further cooled by the overlying dacite magma, forming the andesitic inclusions. Disaggregation of andesitic inclusions in the host dacite produced the black dacite and light dacite magmas. Formation of foam was a dynamic process. Removal of foam propagated the foam layer downward into the hybrid andesite magma. Eventually the thermal and compositional contrasts between the hybrid andesite and black dacite magmas were reduced. Then, they mixed directly, forming the dark andesite magma. About 40-50% andesitic inclusions were disaggregated into the host dacite to produce the hybrid black dacite. Thus, disaggregation of inclusions into small fragments and individual crystals can be an efficient magma-mixing process. Disaggregation of undercooled inclusions carrying reacted host-magma phenocrysts produces co-existing reacted and unreacted phenocrysts populations.

Determination of orthophthalaldehyde in air using 2,4-dinitrophenylhydrazine-impregnated silica cartridge and high-performance liquid chromatography.

PubMed

Uchiyama, Shigehisa; Matsushima, Erika; Tokunaga, Hiroshi; Otsubo, Yasufumi; Ando, Masanori

2006-05-26

A new method is described for the determination of orthophthalaldehyde in air which is used for the disinfection of various instruments (e.g. endoscopes) in hospital. Orthophthalaldehyde in air was collected with a silica gel cartridge impregnated with acidified 2,4-dinitrophenylhydrazine (DNPH-cartridge) and derivatives were analyzed by high-performance liquid chromatography (HPLC). In this study, the derivatization was examined by comparing the process with three phthalaldehyde isomers (ortho-, iso- and tere-). In the case of iso- and tere-phthalaldehyde, derivatives synthesized with excess of aldehyde consisted mainly of mono-derivatives, and derivatives synthesized with excess of DNPH consisted mainly of bis-derivative. In the case of orthophthalaldehyde, derivative consisted of only bis-derivative and mono-derivative was never observed under any conditions. Orthophthalaldehyde was completely retained by the DNPH-cartridge during air sampling, however, the derivatization reaction was incomplete and unreacted orthophthalaldehyde was flushed from the cartridge during the subsequent solvent extraction process. Unreacted orthophthalaldehyde and DNPH reacted again in the extraction solvent solution. Immediately after the solvent extraction, both mono- and bis-DNPhydrazone derivatives of orthophthalaldehyde were present in the solution. However, over time, the mono-derivative decreased and bis-derivative increased until only the bis-derivative was left allowing accurate determination of the orthophthalaldehyde concentration. The transformation of mono-derivative to bis-derivative was faster in polar aprotic solvents such as acetonitrile, dimethyl sulfoxide and ethyl acetate. Transformation was found to occur most quickly in acetonitrile solvent and was completed in 4 h in this case. It was possible to measure orthophthalaldehyde in air as bis-derivative using a DNPH impregnated silica cartridge and HPLC analysis.

Process for simultaneous removal of SO.sub.2 and NO.sub.x from gas streams

DOEpatents

Rosenberg, Harvey S.

1987-01-01

A process for simultaneous removal of SO.sub.2 and NO.sub.x from a gas stream that includes flowing the gas stream to a spray dryer and absorbing a portion of the SO.sub.2 content of the gas stream and a portion of the NO.sub.x content of the gas stream with ZnO by contacting the gas stream with a spray of an aqueous ZnO slurry; controlling the gas outlet temperature of the spray dryer to within the range of about a 0.degree. to 125.degree. F. approach to the adiabatic saturation temperature; flowing the gas, unreacted ZnO and absorbed SO.sub.2 and NO.sub.x from the spray dryer to a fabric filter and collecting any solids therein and absorbing a portion of the SO.sub.2 remaining in the gas stream and a portion of the NO.sub.x remaining in the gas stream with ZnO; and controlling the ZnO content of the aqueous slurry so that sufficient unreacted ZnO is present in the solids collected in the fabric filter to react with SO.sub.2 and NO.sub.x as the gas passes through the fabric filter whereby the overall feed ratio of ZnO to SO.sub.2 plus NO.sub.x is about 1.0 to 4.0 moles of ZnO per of SO.sub.2 and about 0.5 to 2.0 moles of ZnO per mole of NO.sub.x. Particulates may be removed from the gas stream prior to treatment in the spray dryer. The process further allows regeneration of ZnO that has reacted to absorb SO.sub.2 and NO.sub.x from the gas stream and acid recovery.

Detection of toxoplasma-specific immunoglobulin G in human sera: performance comparison of in house Dot-ELISA with ECLIA and ELISA.

PubMed

Teimouri, Aref; Modarressi, Mohammad Hossein; Shojaee, Saeedeh; Mohebali, Mehdi; Zouei, Nima; Rezaian, Mostafa; Keshavarz, Hossein

2018-05-08

In the current study, performance of electrochemiluminescence immunoassay (ECLIA) in detection of anti-toxoplasma IgG in human sera was compared with that of enzyme-linked immunosorbent assay (ELISA). Furthermore, performance of an in house Dot-ELISA in detection of anti-toxoplasma IgG was compared with that of ECLIA and ELISA. In total, 219 human sera were tested to detect anti-toxoplasma IgG using Dynex DS2® and Roche Cobas® e411 Automated Analyzers. Discordant results rechecked using immunofluorescence assay (IFA). Then, sera were used in an in house Dot-ELISA to assess toxoplasma-specific IgG. Of the 219 samples, two samples were found undetermined using ECLIA but reactive using ELISA. Using IFA, the two sera were reported unreactive. Furthermore, two samples were found reactive using ECLIA and unreactive using ELISA. These samples were reported reactive using IFA. The overall agreement for the two former methods was 98% (rZ0.98.1; P < 0.001). The intrinsic parameters calculated for in house Dot-ELISA included sensitivity of 79.5, specificity of 78.2, and accuracy of 78.9%, compared to ECLIA and ELISA. Positive and negative predictive values included 82.9 and 74.2%, respectively. A 100% sensitivity was found in in house Dot-ELISA for highly reactive sera in ECLIA and ELISA. ECLIA is appropriate for the first-line serological screening tests and can replace ELISA due to high speed, sensitivity, and specificity, particularly in large laboratories. Dot-ELISA is a rapid, sensitive, specific, cost-effective, user-friendly, and field-portable technique and hence can be used for screening toxoplasmosis, especially in rural fields or less equipped laboratories.

Anatase titanium dioxide nanoparticles in mice: evidence for induced structural and functional sperm defects after short-, but not long-, term exposure

PubMed Central

Smith, Michelle A; Michael, Rowan; Aravindan, Rolands G; Dash, Soma; Shah, Syed I; Galileo, Deni S; Martin-DeLeon, Patricia A

2015-01-01

Titanium dioxide (TiO2) nanoparticles (TNPs) are widely used commercially and exist in a variety of products. To determine if anatase TNPs (ATNPs) in doses smaller than previously used reach the scrotum after entry in the body at a distant location and induce sperm defects, 100% ATNP (2.5 or 5 mg kg−1 body weight) was administered intraperitoneally to adult males for three consecutive days, followed by sacrifice 1, 2, 3, or 5 weeks later (long-) or 24, 48 or 120 h (short-term exposure). Transmission electron microscopy revealed the presence of ANTP in scrotal adipose tissues collected 120 h postinjection when cytokine evaluation showed an inflammatory response in epididymal tissues and fluid. At 120 h and up to 3 weeks postinjection, testicular histology revealed enlarged interstitial spaces. Significantly increased numbers of terminal deoxyribonucleotidyl transferase-mediated dUTP nick-end labeling-positive (apoptotic) germ (P = 0.002) and interstitial space cells (P = 0.04) were detected in treated males. Caudal epididymal sperm from the short-term, but not a long-term, arm showed significantly (P < 0.001) increased frequencies of flagellar abnormalities, excess residual cytoplasm (ERC), and unreacted acrosomes in treated versus controls (dose-response relationship). A novel correlation between ERC and unreacted acrosomes was uncovered. At 120 h, there were significant decreases in hyperactivated motility (P < 0.001) and mitochondrial membrane potential (P < 0.05), and increased reactive oxygen species levels (P < 0.00001) in treated versus control sperm. These results indicate that at 4–8 days postinjection, ANTP induce structural and functional sperm defects associated with infertility, and DNA damage via oxidative stress. Sperm defects were transient as they were not detected 10 days to 5 weeks postinjection. PMID:25370207

INVESTIGATION AND OPTIMIZATION OF TITRIMETRIC AND SPECTROPHOTOMETRIC METHODS FOR THE ASSAY OF FLUNARIZINE DIHYDROCHLORIDE USING IN SITU BROMINE.

PubMed

Prashanth, Kudige Nagaraj; Swamy, Nagaraju; Basavaiah, Kanakapura

2016-01-01

Three indirect methods for the assay of flunarizine dihydrochloride (FNH) in bulk drug and commercial formulation based on titrimetric and spectrophotometric techniques using bromate-bromide mixture are described. In titrimetry, a measured excess of bromate-bromide mixture is added to an acidified solution of FNH and the unreacted bromine is determined iodometrically (method A). Spectrophotometry involves the addition of a known excess of bromate-bromide mixture to FNH in acid medium followed by estimation of unreacted bromine by its reaction with excess iodide and the liberated iodine (I₃⁻) is either measured at 370 nm (method B) or liberated iodine reacted with starch followed by the measurement of the blue colored starch-iodide complex at 575 run (method C). Titrimetric method is applicable over the range 4.5-30.0 mg FNH (method A), and the reaction stoichiometry is found to be 1:2 (FNH:KBrO₃). The spectrophotometric methods are applicable over the concentration ranges 0.8-16.0 µg/mL and 0.4-8.0 µg/mL FNH for method B and method C, respectively. The molar absorptivities are calculated to be 2.83 x 10⁴ and 4.96 x 10⁴ L mol⁻¹cm⁻¹ for method B and method C, respectively, and the corresponding Sandell sensitivity values are 0.0168 and 0.0096 µg cm⁻². The proposed methods have been applied successfully for the determination of FNH in pure form and in its dosage form and the results were compared with those of a literature method by applying the Student's t-test and F-test.

Process for simultaneous removal of SO[sub 2] and NO[sub x] from gas streams

DOEpatents

Rosenberg, H.S.

1987-02-03

A process is described for simultaneous removal of SO[sub 2] and NO[sub x] from a gas stream that includes flowing the gas stream to a spray dryer and absorbing a portion of the SO[sub 2] content of the gas stream and a portion of the NO[sub x] content of the gas stream with ZnO by contacting the gas stream with a spray of an aqueous ZnO slurry; controlling the gas outlet temperature of the spray dryer to within the range of about a 0 to 125 F approach to the adiabatic saturation temperature; flowing the gas, unreacted ZnO and absorbed SO[sub 2] and NO[sub x] from the spray dryer to a fabric filter and collecting any solids therein and absorbing a portion of the SO[sub 2] remaining in the gas stream and a portion of the NO[sub x] remaining in the gas stream with ZnO; and controlling the ZnO content of the aqueous slurry so that sufficient unreacted ZnO is present in the solids collected in the fabric filter to react with SO[sub 2] and NO[sub x] as the gas passes through the fabric filter whereby the overall feed ratio of ZnO to SO[sub 2] plus NO[sub x] is about 1.0 to 4.0 moles of ZnO per of SO[sub 2] and about 0.5 to 2.0 moles of ZnO per mole of NO[sub x]. Particulates may be removed from the gas stream prior to treatment in the spray dryer. The process further allows regeneration of ZnO that has reacted to absorb SO[sub 2] and NO[sub x] from the gas stream and acid recovery. 4 figs.

A database of paleoceanographic sediment cores from the North Pacific, 1951-2016

NASA Astrophysics Data System (ADS)

Borreggine, Marisa; Myhre, Sarah E.; Mislan, K. Allison S.; Deutsch, Curtis; Davis, Catherine V.

2017-09-01

We assessed sediment coring, data acquisition, and publications from the North Pacific (north of 30° N) from 1951 to 2016. There are 2134 sediment cores collected by American, French, Japanese, Russian, and international research vessels across the North Pacific (including the Pacific subarctic gyre, Alaskan gyre, Japan margin, and California margin; 1391 cores), the Sea of Okhotsk (271 cores), the Bering Sea (123 cores), and the Sea of Japan (349 cores) reported here. All existing metadata associated with these sediment cores are documented here, including coring date, location, core number, cruise number, water depth, vessel metadata, and coring technology. North Pacific sediment core age models are built with isotope stratigraphy, radiocarbon dating, magnetostratigraphy, biostratigraphy, tephrochronology, % opal, color, and lithological proxies. Here, we evaluate the iterative generation of each published age model and provide comprehensive documentation of the dating techniques used, along with sedimentation rates and age ranges. We categorized cores according to the availability of a variety of proxy evidence, including biological (e.g., benthic and planktonic foraminifera assemblages), geochemical (e.g., major trace element concentrations), isotopic (e.g., bulk sediment nitrogen, oxygen, and carbon isotopes), and stratigraphic (e.g., preserved laminations) proxies. This database is a unique resource to the paleoceanographic and paleoclimate communities and provides cohesive accessibility to sedimentary sequences, age model development, and proxies. The data set is publicly available through PANGAEA at https://doi.org/10.1594/PANGAEA.875998.

Asymmetric dynamics of the inner core and impact on the outer core

NASA Astrophysics Data System (ADS)

Alboussière, Thierry; Deguen, Renaud

2012-10-01

The history and present state of knowledge of the dynamics of the inner core are outlined in this paper. The observations that motivated ideas on the dynamical processes are introduced, but the main objective is really to concentrate on the diverse dynamical models that have been and are currently proposed for the formation and evolution of the inner core. A deliberate choice has been made of reproducing key figures from the literature in a didactic attempt to provide clear and quick identification for these models. This review looses impartiality concerning recent models, notably those aiming at explaining the hemispherical asymmetry. A preference for an intrinsic dynamic mode of the inner core is expressed, as opposed to the distant influence of the dynamics of the mantle through heat-flux heterogeneities. Meanwhile, the opinion is conveyed that the dynamics of the inner core is largely not understood yet and that every model must be considered with a critical eye.

Muscle spindles exhibit core lesions and extensive degeneration of intrafusal fibers in the Ryr1{sup I4895T/wt} mouse model of core myopathy

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

Zvaritch, Elena; MacLennan, David H., E-mail: david.maclennan@utoronto.ca

Muscle spindles from the hind limb muscles of adult Ryr1{sup I4895T/wt} (IT/+) mice exhibit severe structural abnormalities. Up to 85% of the spindles are separated from skeletal muscle fascicles by a thick layer of connective tissue. Many intrafusal fibers exhibit degeneration, with Z-line streaming, compaction and collapse of myofibrillar bundles, mitochondrial clumping, nuclear shrinkage and pyknosis. The lesions resemble cores observed in the extrafusal myofibers of this animal model and of core myopathy patients. Spindle abnormalities precede those in extrafusal fibers, indicating that they are a primary pathological feature in this murine Ryr1-related core myopathy. Muscle spindle involvement, if confirmedmore » for human core myopathy patients, would provide an explanation for an array of devastating clinical features characteristic of these diseases and provide novel insights into the pathology of RYR1-related myopathies. - Highlights: • Muscle spindles exhibit structural abnormalities in a mouse model of core myopathy. • Myofibrillar collapse and mitochondrial clumping is observed in intrafusal fibers. • Myofibrillar degeneration follows a pattern similar to core formation in extrafusal myofibers. • Muscle spindle abnormalities are a part of the pathological phenotype in the mouse model of core myopathy. • Direct involvement of muscle spindles in the pathology of human RYR1-related myopathies is proposed.« less

Steady induction effects in geomagnetism. Part 1A: Steady motional induction of geomagnetic chaos

NASA Technical Reports Server (NTRS)

Voorhies, Coerte V.

1992-01-01

Geomagnetic effects of magnetic induction by hypothetically steady fluid motion and steady magnetic flux diffusion near the top of Earth's core are investigated using electromagnetic theory, simple magnetic earth models, and numerical experiments with geomagnetic field models. The problem of estimating a steady fluid velocity field near the top of Earth's core which induces the secular variation indicated by broad-scale models of the observed geomagnetic field is examined and solved. In Part 1, the steady surficial core flow estimation problem is solved in the context of the source-free mantle/frozen-flux core model. In the first paper (IA), the theory underlying such estimates is reviewed and some consequences of various kinematic and dynamic flow hypotheses are derived. For a frozen-flux core, fluid downwelling is required to change the mean square normal magnetic flux density averaged over the core-mantle boundary. For surficially geostrophic flow, downwelling implies poleward flow. The solution of the forward steady motional induction problem at the surface of a frozen-flux core is derived and found to be a fine, easily visualized example of deterministic chaos. Geomagnetic effects of statistically steady core surface flow may well dominate secular variation over several decades. Indeed, effects of persistent, if not steady, surficially geostrophic core flow are described which may help explain certain features of the present broad-scale geomagnetic field and perhaps paleomagnetic secular variation.

Effect of a core-softened O-O interatomic interaction on the shock compression of fused silica

NASA Astrophysics Data System (ADS)

Izvekov, Sergei; Weingarten, N. Scott; Byrd, Edward F. C.

2018-03-01

Isotropic soft-core potentials have attracted considerable attention due to their ability to reproduce thermodynamic, dynamic, and structural anomalies observed in tetrahedral network-forming compounds such as water and silica. The aim of the present work is to assess the relevance of effective core-softening pertinent to the oxygen-oxygen interaction in silica to the thermodynamics and phase change mechanisms that occur in shock compressed fused silica. We utilize the MD simulation method with a recently published numerical interatomic potential derived from an ab initio MD simulation of liquid silica via force-matching. The resulting potential indicates an effective shoulder-like core-softening of the oxygen-oxygen repulsion. To better understand the role of the core-softening we analyze two derivative force-matching potentials in which the soft-core is replaced with a repulsive core either in the three-body potential term or in all the potential terms. Our analysis is further augmented by a comparison with several popular empirical models for silica that lack an explicit core-softening. The first outstanding feature of shock compressed glass reproduced with the soft-core models but not with the other models is that the shock compression values at pressures above 20 GPa are larger than those observed under hydrostatic compression (an anomalous shock Hugoniot densification). Our calculations indicate the occurrence of a phase transformation along the shock Hugoniot that we link to the O-O repulsion core-softening. The phase transformation is associated with a Hugoniot temperature reversal similar to that observed experimentally. With the soft-core models, the phase change is an isostructural transformation between amorphous polymorphs with no associated melting event. We further examine the nature of the structural transformation by comparing it to the Hugoniot calculations for stishovite. For stishovite, the Hugoniot exhibits temperature reversal and associated phase transformation, which is a transition to a disordered phase (liquid or dense amorphous), regardless of whether or not the model accounts for core-softening. The onset pressures of the transformation predicted by different models show a wide scatter within 60-110 GPa; for potentials without core-softening, the onset pressure is much higher than 110 GPa. Our results show that the core-softening of the interaction in the oxygen subsystem of silica is the key mechanism for the structural transformation and thermodynamics in shock compressed silica. These results may provide an important contribution to a unified picture of anomalous response to shock compression observed in other network-forming oxides and single-component systems with core-softening of effective interactions.

Thermal Evolution and Crystallisation Regimes of the Martian Core

NASA Astrophysics Data System (ADS)

Davies, C. J.; Pommier, A.

2015-12-01

Though it is accepted that Mars has a sulfur-rich metallic core, its chemical and physical state as well as its time-evolution are still unconstrained and debated. Several lines of evidence indicate that an internal magnetic field was once generated on Mars and that this field decayed around 3.7-4.0 Gyrs ago. The standard model assumes that this field was produced by a thermal (and perhaps chemical) dynamo operating in the Martian core. We use this information to construct parameterized models of the Martian dynamo in order to place constraints on the thermochemical evolution of the Martian core, with particular focus on its crystallization regime. Considered compositions are in the FeS system, with S content ranging from ~10 and 16 wt%. Core radius, density and CMB pressure are varied within the errors provided by recent internal structure models that satisfy the available geodetic constraints (planetary mass, moment of inertia and tidal Love number). We also vary the melting curve and adiabat, CMB heat flow and thermal conductivity. Successful models are those that match the dynamo cessation time and fall within the bounds on present-day CMB temperature. The resulting suite of over 500 models suggest three possible crystallization regimes: growth of a solid inner core starting at the center of the planet; freezing and precipitation of solid iron (Fe- snow) from the core-mantle boundary (CMB); and freezing that begins midway through the core. Our analysis focuses on the effects of core properties that are expected to be constrained during the forthcoming Insight mission.

Recent changes of the Earth's core derived from satellite observations of magnetic and gravity fields.

PubMed

Mandea, Mioara; Panet, Isabelle; Lesur, Vincent; de Viron, Olivier; Diament, Michel; Le Mouël, Jean-Louis

2012-11-20

To understand the dynamics of the Earth's fluid, iron-rich outer core, only indirect observations are available. The Earth's magnetic field, originating mainly within the core, and its temporal variations can be used to infer the fluid motion at the top of the core, on a decadal and subdecadal time-scale. Gravity variations resulting from changes in the mass distribution within the Earth may also occur on the same time-scales. Such variations include the signature of the flow inside the core, though they are largely dominated by the water cycle contributions. Our study is based on 8 y of high-resolution, high-accuracy magnetic and gravity satellite data, provided by the CHAMP and GRACE missions. From the newly derived geomagnetic models we have computed the core magnetic field, its temporal variations, and the core flow evolution. From the GRACE CNES/GRGS series of time variable geoid models, we have obtained interannual gravity models by using specifically designed postprocessing techniques. A correlation analysis between the magnetic and gravity series has demonstrated that the interannual changes in the second time derivative of the core magnetic field under a region from the Atlantic to Indian Ocean coincide in phase with changes in the gravity field. The order of magnitude of these changes and proposed correlation are plausible, compatible with a core origin; however, a complete theoretical model remains to be built. Our new results and their broad geophysical significance could be considered when planning new Earth observation space missions and devising more sophisticated Earth's interior models.

Toward a mineral physics reference model for the Moon's core.

PubMed

Antonangeli, Daniele; Morard, Guillaume; Schmerr, Nicholas C; Komabayashi, Tetsuya; Krisch, Michael; Fiquet, Guillaume; Fei, Yingwei

2015-03-31

The physical properties of iron (Fe) at high pressure and high temperature are crucial for understanding the chemical composition, evolution, and dynamics of planetary interiors. Indeed, the inner structures of the telluric planets all share a similar layered nature: a central metallic core composed mostly of iron, surrounded by a silicate mantle, and a thin, chemically differentiated crust. To date, most studies of iron have focused on the hexagonal closed packed (hcp, or ε) phase, as ε-Fe is likely stable across the pressure and temperature conditions of Earth's core. However, at the more moderate pressures characteristic of the cores of smaller planetary bodies, such as the Moon, Mercury, or Mars, iron takes on a face-centered cubic (fcc, or γ) structure. Here we present compressional and shear wave sound velocity and density measurements of γ-Fe at high pressures and high temperatures, which are needed to develop accurate seismic models of planetary interiors. Our results indicate that the seismic velocities proposed for the Moon's inner core by a recent reanalysis of Apollo seismic data are well below those of γ-Fe. Our dataset thus provides strong constraints to seismic models of the lunar core and cores of small telluric planets. This allows us to propose a direct compositional and velocity model for the Moon's core.

Finite element simulation of core inspection in helicopter rotor blades using guided waves.

PubMed

Chakrapani, Sunil Kishore; Barnard, Daniel; Dayal, Vinay

2015-09-01

This paper extends the work presented earlier on inspection of helicopter rotor blades using guided Lamb modes by focusing on inspecting the spar-core bond. In particular, this research focuses on structures which employ high stiffness, high density core materials. Wave propagation in such structures deviate from the generic Lamb wave propagation in sandwich panels. To understand the various mode conversions, finite element models of a generalized helicopter rotor blade were created and subjected to transient analysis using a commercial finite element code; ANSYS. Numerical simulations showed that a Lamb wave excited in the spar section of the blade gets converted into Rayleigh wave which travels across the spar-core section and mode converts back into Lamb wave. Dispersion of Rayleigh waves in multi-layered half-space was also explored. Damage was modeled in the form of a notch in the core section to simulate a cracked core, and delamination was modeled between the spar and core material to simulate spar-core disbond. Mode conversions under these damaged conditions were examined numerically. The numerical models help in assessing the difficulty of using nondestructive evaluation for complex structures and also highlight the physics behind the mode conversions which occur at various discontinuities. Copyright © 2015 Elsevier B.V. All rights reserved.

Stability of ecological industry chain: an entropy model approach.

PubMed

Wang, Qingsong; Qiu, Shishou; Yuan, Xueliang; Zuo, Jian; Cao, Dayong; Hong, Jinglan; Zhang, Jian; Dong, Yong; Zheng, Ying

2016-07-01

A novel methodology is proposed in this study to examine the stability of ecological industry chain network based on entropy theory. This methodology is developed according to the associated dissipative structure characteristics, i.e., complexity, openness, and nonlinear. As defined in the methodology, network organization is the object while the main focus is the identification of core enterprises and core industry chains. It is proposed that the chain network should be established around the core enterprise while supplementation to the core industry chain helps to improve system stability, which is verified quantitatively. Relational entropy model can be used to identify core enterprise and core eco-industry chain. It could determine the core of the network organization and core eco-industry chain through the link form and direction of node enterprises. Similarly, the conductive mechanism of different node enterprises can be examined quantitatively despite the absence of key data. Structural entropy model can be employed to solve the problem of order degree for network organization. Results showed that the stability of the entire system could be enhanced by the supplemented chain around the core enterprise in eco-industry chain network organization. As a result, the sustainability of the entire system could be further improved.

Electromagnetically driven westward drift and inner-core superrotation in Earth's core.

PubMed

Livermore, Philip W; Hollerbach, Rainer; Jackson, Andrew

2013-10-01

A 3D numerical model of the earth's core with a viscosity two orders of magnitude lower than the state of the art suggests a link between the observed westward drift of the magnetic field and superrotation of the inner core. In our model, the axial electromagnetic torque has a dominant influence only at the surface and in the deepest reaches of the core, where it respectively drives a broad westward flow rising to an axisymmetric equatorial jet and imparts an eastward-directed torque on the solid inner core. Subtle changes in the structure of the internal magnetic field may alter not just the magnitude but the direction of these torques. This not only suggests that the quasi-oscillatory nature of inner-core superrotation [Tkalčić H, Young M, Bodin T, Ngo S, Sambridge M (2013) The shuffling rotation of the earth's inner core revealed by earthquake doublets. Nat Geosci 6:497-502.] may be driven by decadal changes in the magnetic field, but further that historical periods in which the field exhibited eastward drift were contemporaneous with a westward inner-core rotation. The model further indicates a strong internal shear layer on the tangent cylinder that may be a source of torsional waves inside the core.

Electromagnetically driven westward drift and inner-core superrotation in Earth’s core

PubMed Central

Livermore, Philip W.; Hollerbach, Rainer; Jackson, Andrew

2013-01-01

A 3D numerical model of the earth’s core with a viscosity two orders of magnitude lower than the state of the art suggests a link between the observed westward drift of the magnetic field and superrotation of the inner core. In our model, the axial electromagnetic torque has a dominant influence only at the surface and in the deepest reaches of the core, where it respectively drives a broad westward flow rising to an axisymmetric equatorial jet and imparts an eastward-directed torque on the solid inner core. Subtle changes in the structure of the internal magnetic field may alter not just the magnitude but the direction of these torques. This not only suggests that the quasi-oscillatory nature of inner-core superrotation [Tkalčić H, Young M, Bodin T, Ngo S, Sambridge M (2013) The shuffling rotation of the earth’s inner core revealed by earthquake doublets. Nat Geosci 6:497–502.] may be driven by decadal changes in the magnetic field, but further that historical periods in which the field exhibited eastward drift were contemporaneous with a westward inner-core rotation. The model further indicates a strong internal shear layer on the tangent cylinder that may be a source of torsional waves inside the core. PMID:24043841

The caCORE Software Development Kit: Streamlining construction of interoperable biomedical information services

PubMed Central

Phillips, Joshua; Chilukuri, Ram; Fragoso, Gilberto; Warzel, Denise; Covitz, Peter A

2006-01-01

Background Robust, programmatically accessible biomedical information services that syntactically and semantically interoperate with other resources are challenging to construct. Such systems require the adoption of common information models, data representations and terminology standards as well as documented application programming interfaces (APIs). The National Cancer Institute (NCI) developed the cancer common ontologic representation environment (caCORE) to provide the infrastructure necessary to achieve interoperability across the systems it develops or sponsors. The caCORE Software Development Kit (SDK) was designed to provide developers both within and outside the NCI with the tools needed to construct such interoperable software systems. Results The caCORE SDK requires a Unified Modeling Language (UML) tool to begin the development workflow with the construction of a domain information model in the form of a UML Class Diagram. Models are annotated with concepts and definitions from a description logic terminology source using the Semantic Connector component. The annotated model is registered in the Cancer Data Standards Repository (caDSR) using the UML Loader component. System software is automatically generated using the Codegen component, which produces middleware that runs on an application server. The caCORE SDK was initially tested and validated using a seven-class UML model, and has been used to generate the caCORE production system, which includes models with dozens of classes. The deployed system supports access through object-oriented APIs with consistent syntax for retrieval of any type of data object across all classes in the original UML model. The caCORE SDK is currently being used by several development teams, including by participants in the cancer biomedical informatics grid (caBIG) program, to create compatible data services. caBIG compatibility standards are based upon caCORE resources, and thus the caCORE SDK has emerged as a key enabling technology for caBIG. Conclusion The caCORE SDK substantially lowers the barrier to implementing systems that are syntactically and semantically interoperable by providing workflow and automation tools that standardize and expedite modeling, development, and deployment. It has gained acceptance among developers in the caBIG program, and is expected to provide a common mechanism for creating data service nodes on the data grid that is under development. PMID:16398930

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

Blanchard, I.; Badro, J.; Siebert, J.

We present gallium concentration (normalized to CI chondrites) in the mantle is at the same level as that of lithophile elements with similar volatility, implying that there must be little to no gallium in Earth's core. Metal-silicate partitioning experiments, however, have shown that gallium is a moderately siderophile element and should be therefore depleted in the mantle by core formation. Moreover, gallium concentrations in the mantle (4 ppm) are too high to be only brought by the late veneer; and neither pressure, nor temperature, nor silicate composition has a large enough effect on gallium partitioning to make it lithophile. Wemore » therefore systematically investigated the effect of core composition (light element content) on the partitioning of gallium by carrying out metal–silicate partitioning experiments in a piston–cylinder press at 2 GPa between 1673 K and 2073 K. Four light elements (Si, O, S, C) were considered, and their effect was found to be sufficiently strong to make gallium lithophile. The partitioning of gallium was then modeled and parameterized as a function of pressure, temperature, redox and core composition. A continuous core formation model was used to track the evolution of gallium partitioning during core formation, for various magma ocean depths, geotherms, core light element contents, and magma ocean composition (redox) during accretion. The only model for which the final gallium concentration in the silicate Earth matched the observed value is the one involving a light-element rich core equilibrating in a FeO-rich deep magma ocean (>1300 km) with a final pressure of at least 50 GPa. More specifically, the incorporation of S and C in the core provided successful models only for concentrations that lie far beyond their allowable cosmochemical or geophysical limits, whereas realistic O and Si amounts (less than 5 wt.%) in the core provided successful models for magma oceans deeper that 1300 km. In conclusion, these results offer a strong argument for an O- and Si-rich core, formed in a deep terrestrial magma ocean, along with oxidizing conditions.« less

CAM-SE: A scalable spectral element dynamical core for the Community Atmosphere Model.

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

Dennis, John; Edwards, Jim; Evans, Kate J

2012-01-01

The Community Atmosphere Model (CAM) version 5 includes a spectral element dynamical core option from NCAR's High-Order Method Modeling Environment. It is a continuous Galerkin spectral finite element method designed for fully unstructured quadrilateral meshes. The current configurations in CAM are based on the cubed-sphere grid. The main motivation for including a spectral element dynamical core is to improve the scalability of CAM by allowing quasi-uniform grids for the sphere that do not require polar filters. In addition, the approach provides other state-of-the-art capabilities such as improved conservation properties. Spectral elements are used for the horizontal discretization, while most othermore » aspects of the dynamical core are a hybrid of well tested techniques from CAM's finite volume and global spectral dynamical core options. Here we first give a overview of the spectral element dynamical core as used in CAM. We then give scalability and performance results from CAM running with three different dynamical core options within the Community Earth System Model, using a pre-industrial time-slice configuration. We focus on high resolution simulations of 1/4 degree, 1/8 degree, and T340 spectral truncation.« less

Modeling Multiple-Core Updraft Plume Rise for an Aerial Ignition Prescribed Burn by Coupling Daysmoke with a Cellular Automata Fire Model

Treesearch

G. L Achtemeier; S. L. Goodrick; Y. Liu

2012-01-01

Smoke plume rise is critically dependent on plume updraft structure. Smoke plumes from landscape burns (forest and agricultural burns) are typically structured into “sub-plumes” or multiple-core updrafts with the number of updraft cores depending on characteristics of the landscape, fire, fuels, and weather. The number of updraft cores determines the efficiency of...

A seismologically consistent compositional model of Earth's core.

PubMed

Badro, James; Côté, Alexander S; Brodholt, John P

2014-05-27

Earth's core is less dense than iron, and therefore it must contain "light elements," such as S, Si, O, or C. We use ab initio molecular dynamics to calculate the density and bulk sound velocity in liquid metal alloys at the pressure and temperature conditions of Earth's outer core. We compare the velocity and density for any composition in the (Fe-Ni, C, O, Si, S) system to radial seismological models and find a range of compositional models that fit the seismological data. We find no oxygen-free composition that fits the seismological data, and therefore our results indicate that oxygen is always required in the outer core. An oxygen-rich core is a strong indication of high-pressure and high-temperature conditions of core differentiation in a deep magma ocean with an FeO concentration (oxygen fugacity) higher than that of the present-day mantle.

A seismologically consistent compositional model of Earth’s core

PubMed Central

Badro, James; Côté, Alexander S.; Brodholt, John P.

2014-01-01

Earth’s core is less dense than iron, and therefore it must contain “light elements,” such as S, Si, O, or C. We use ab initio molecular dynamics to calculate the density and bulk sound velocity in liquid metal alloys at the pressure and temperature conditions of Earth's outer core. We compare the velocity and density for any composition in the (Fe–Ni, C, O, Si, S) system to radial seismological models and find a range of compositional models that fit the seismological data. We find no oxygen-free composition that fits the seismological data, and therefore our results indicate that oxygen is always required in the outer core. An oxygen-rich core is a strong indication of high-pressure and high-temperature conditions of core differentiation in a deep magma ocean with an FeO concentration (oxygen fugacity) higher than that of the present-day mantle. PMID:24821817

Modelling of magnetostriction of transformer magnetic core for vibration analysis

NASA Astrophysics Data System (ADS)

Marks, Janis; Vitolina, Sandra

2017-12-01

Magnetostriction is a phenomenon occurring in transformer core in normal operation mode. Yet in time, it can cause the delamination of magnetic core resulting in higher level of vibrations that are measured on the surface of transformer tank during diagnostic tests. The aim of this paper is to create a model for evaluating elastic deformations in magnetic core that can be used for power transformers with intensive vibrations in order to eliminate magnetostriction as a their cause. Description of the developed model in Matlab and COMSOL software is provided including restrictions concerning geometry and properties of materials, and the results of performed research on magnetic core anisotropy are provided. As a case study modelling of magnetostriction for 5-legged 200 MVA power transformer with the rated voltage of 13.8/137kV is conducted, based on which comparative analysis of vibration levels and elastic deformations is performed.

The development of learning materials based on core model to improve students’ learning outcomes in topic of Chemical Bonding

NASA Astrophysics Data System (ADS)

Avianti, R.; Suyatno; Sugiarto, B.

2018-04-01

This study aims to create an appropriate learning material based on CORE (Connecting, Organizing, Reflecting, Extending) model to improve students’ learning achievement in Chemical Bonding Topic. This study used 4-D models as research design and one group pretest-posttest as design of the material treatment. The subject of the study was teaching materials based on CORE model, conducted on 30 students of Science class grade 10. The collecting data process involved some techniques such as validation, observation, test, and questionnaire. The findings were that: (1) all the contents were valid, (2) the practicality and the effectiveness of all the contents were good. The conclusion of this research was that the CORE model is appropriate to improve students’ learning outcomes for studying Chemical Bonding.

Heat Pipe Reactor Dynamic Response Tests: SAFE-100 Reactor Core Prototype

NASA Technical Reports Server (NTRS)

Bragg-Sitton, Shannon M.

2005-01-01

The SAFE-I00a test article at the NASA Marshall Space Flight Center was used to simulate a variety of potential reactor transients; the SAFEl00a is a resistively heated, stainless-steel heat-pipe (HP)-reactor core segment, coupled to a gas-flow heat exchanger (HX). For these transients the core power was controlled by a point kinetics model with reactivity feedback based on core average temperature; the neutron generation time and the temperature feedback coefficient are provided as model inputs. This type of non-nuclear test is expected to provide reasonable approximation of reactor transient behavior because reactivity feedback is very simple in a compact fast reactor (simple, negative, and relatively monotonic temperature feedback, caused mostly by thermal expansion) and calculations show there are no significant reactivity effects associated with fluid in the HP (the worth of the entire inventory of Na in the core is .

Tungsten isotope evidence that mantle plumes contain no contribution from the Earth's core

NASA Astrophysics Data System (ADS)

Scherstén, Anders; Elliott, Tim; Hawkesworth, Chris; Norman, Marc

2004-01-01

Osmium isotope ratios provide important constraints on the sources of ocean-island basalts, but two very different models have been put forward to explain such data. One model interprets 187Os-enrichments in terms of a component of recycled oceanic crust within the source material. The other model infers that interaction of the mantle with the Earth's outer core produces the isotope anomalies and, as a result of coupled 186Os-187Os anomalies, put time constraints on inner-core formation. Like osmium, tungsten is a siderophile (`iron-loving') element that preferentially partitioned into the Earth's core during core formation but is also `incompatible' during mantle melting (it preferentially enters the melt phase), which makes it further depleted in the mantle. Tungsten should therefore be a sensitive tracer of core contributions in the source of mantle melts. Here we present high-precision tungsten isotope data from the same set of Hawaiian rocks used to establish the previously interpreted 186Os-187Os anomalies and on selected South African rocks, which have also been proposed to contain a core contribution. None of the samples that we have analysed have a negative tungsten isotope value, as predicted from the core-contribution model. This rules out a simple core-mantle mixing scenario and suggests that the radiogenic osmium in ocean-island basalts can better be explained by the source of such basalts containing a component of recycled crust.

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

Zhou, Yinghui; Lii-Rosales, Ann; Kim, Minsung

Here, we show that 3 metals – Dy, Ru, and Cu – can form multilayer intercalated (encapsulated) islands at the graphite (0001) surface if 2 specific conditions are met: Defects are introduced on the graphite terraces to act as entry portals, and the metal deposition temperature is well above ambient. Focusing on Dy as a prototype, we show that surface encapsulation is much different than bulk intercalation, because the encapsulated metal takes the form of bulk-like rafts of multilayer Dy, rather than the dilute, single-layer structure known for the bulk compound. Carbon-covered metallic rafts even form for relatively unreactive metalsmore » (Ru and Cu) which have no known bulk intercalation compound.« less

Determination of phosphorus fertilizer soil reactions by Raman and synchrotron infrared microspectroscopy.

PubMed

Vogel, Christian; Adam, Christian; Sekine, Ryo; Schiller, Tara; Lipiec, Ewelina; McNaughton, Don

2013-10-01

The reaction mechanisms of phosphate-bearing mineral phases from sewage sludge ash-based fertilizers in soil were determined by Raman and synchrotron infrared microspectroscopy. Different reaction mechanisms in wet soil were found for calcium and magnesium (pyro-) phosphates. Calcium orthophosphates were converted over time to hydroxyapatite. Conversely, different magnesium phosphates were transformed to trimagnesium phosphate. Since the magnesium phosphates are unable to form an apatite structure, the plant-available phosphorus remains in the soil, leading to better growth results observed in agricultural pot experiments. The pyrophosphates also reacted very differently. Calcium pyrophosphate is unreactive in soil. In contrast, magnesium pyrophosphate quickly formed plant-available dimagnesium phosphate.

Note: A novel method for in situ loading of gases via x-ray induced chemistry

NASA Astrophysics Data System (ADS)

Pravica, Michael; Bai, Ligang; Park, Changyong; Liu, Yu; Galley, Martin; Robinson, John; Bhattacharya, Neelanjan

2011-10-01

We have developed and demonstrated a novel method to load oxygen in a sealed diamond anvil cell via the x-ray induced decomposition of potassium chlorate. By irradiating a pressurized sample of an oxidizer (KClO3) with either monochromatic or white beam x-rays from the Advanced Photon Source at ambient temperature and variable pressure, we succeeded in creating a localized region of molecular oxygen surrounded by unreacted sample which was confirmed via Raman spectroscopy. We anticipate that this technique will be useful in loading even more challenging, difficult-to-load gases such as hydrogen and also to load multiple gases.

Note: A novel method for in situ loading of gases via x-ray induced chemistry.

PubMed

Pravica, Michael; Bai, Ligang; Park, Changyong; Liu, Yu; Galley, Martin; Robinson, John; Bhattacharya, Neelanjan

2011-10-01

We have developed and demonstrated a novel method to load oxygen in a sealed diamond anvil cell via the x-ray induced decomposition of potassium chlorate. By irradiating a pressurized sample of an oxidizer (KClO(3)) with either monochromatic or white beam x-rays from the Advanced Photon Source at ambient temperature and variable pressure, we succeeded in creating a localized region of molecular oxygen surrounded by unreacted sample which was confirmed via Raman spectroscopy. We anticipate that this technique will be useful in loading even more challenging, difficult-to-load gases such as hydrogen and also to load multiple gases.

Detonation Wave Curvature, Corner Turning, and Unreacted Hugoniot of PBXN-111

DTIC Science & Technology

1992-03-19

ILl LA LU in 0 qR R q q (wwj) sn iavvI NONiAVM 13 NSWCDD/TR-92/164 E-- N H , H - t• tC) H- :: E4 E W .,1 0 v 01O H- LD P H H 44 Zo r4 11 tD 0o S+1 +1...K STEIN) 1 WASHINGTON DC 20301 SPSP (M FRANKEL) 1 SPRV CT FREDRTCKSON)J 1 ATTN I BLATSTEIN ( TD ) 1 SP (C MCFARLAND) I NAVAL SURFACE WARFARE CENTER...LIBRARY 1 HARRY DIAMOND LABORATORIES PRESIDENT 2800 POWDER MILL ROAD NAVAL WAR COLLEGE ADELPHI MD 20783 NEWPORT RI 02841 ATTN AMSLC TD (R VITALI) 1

Composition of the core from gallium metal–silicate partitioning experiments

DOE PAGES

Blanchard, I.; Badro, J.; Siebert, J.; ...

2015-07-24

We present gallium concentration (normalized to CI chondrites) in the mantle is at the same level as that of lithophile elements with similar volatility, implying that there must be little to no gallium in Earth's core. Metal-silicate partitioning experiments, however, have shown that gallium is a moderately siderophile element and should be therefore depleted in the mantle by core formation. Moreover, gallium concentrations in the mantle (4 ppm) are too high to be only brought by the late veneer; and neither pressure, nor temperature, nor silicate composition has a large enough effect on gallium partitioning to make it lithophile. Wemore » therefore systematically investigated the effect of core composition (light element content) on the partitioning of gallium by carrying out metal–silicate partitioning experiments in a piston–cylinder press at 2 GPa between 1673 K and 2073 K. Four light elements (Si, O, S, C) were considered, and their effect was found to be sufficiently strong to make gallium lithophile. The partitioning of gallium was then modeled and parameterized as a function of pressure, temperature, redox and core composition. A continuous core formation model was used to track the evolution of gallium partitioning during core formation, for various magma ocean depths, geotherms, core light element contents, and magma ocean composition (redox) during accretion. The only model for which the final gallium concentration in the silicate Earth matched the observed value is the one involving a light-element rich core equilibrating in a FeO-rich deep magma ocean (>1300 km) with a final pressure of at least 50 GPa. More specifically, the incorporation of S and C in the core provided successful models only for concentrations that lie far beyond their allowable cosmochemical or geophysical limits, whereas realistic O and Si amounts (less than 5 wt.%) in the core provided successful models for magma oceans deeper that 1300 km. In conclusion, these results offer a strong argument for an O- and Si-rich core, formed in a deep terrestrial magma ocean, along with oxidizing conditions.« less

Molecular modelling and quantum biochemistry computations of a naturally occurring bioremediation enzyme: Alkane hydroxylase from Pseudomonas putida P1.

PubMed

de Sousa, B G; Oliveira, J I N; Albuquerque, E L; Fulco, U L; Amaro, V E; Blaha, C A G

2017-10-01

Many species of bacteria involved in degradation of n-alkanes have an important constitutional metabolic enzyme, the alkane hydroxylase called AlkB, specialized in the conversion of hydrocarbons molecules that can be used as carbon and/or energy source. This enzyme plays an important role in the microbial degradation of oil, chlorinated hydrocarbons, fuel additives, and many other compounds. A number of these enzymes has been biochemically characterized in detail because the potential of alkane hydroxylases to catalyse high added-value reactions is widely recognized. Nevertheless, the industrial and process bioremediation application of them is restricted, owing to their complex biochemistry, challenging process requirements, and the limited number of their three-dimensional structures. Furthermore, AlkB has great potential as biocatalysts for selective transformation of a wide range of chemically inert unreactive alkanes into reactive chemical precursors that can be used as tools for bioremediation and bioprocesses. Aiming to understand the possible ways the AlkB enzyme Pseudomonas putida P1 interacts with octane, octanol and 1-octyne, we consider its suitable biochemical structure taking into account a 3-D homology modelling. Besides, by using a quantum chemistry computational model based on the density functional theory (DFT), we determine possible protein-substrate interaction regions measured by means of its binding energy simulated throughout the Molecular Fractionation with Conjugated Caps (MFCC) approach. Copyright © 2017 Elsevier Inc. All rights reserved.

Matrix-assisted cocrystallization (MAC) simultaneous production and formulation of pharmaceutical cocrystals by hot-melt extrusion.

PubMed

Boksa, Kevin; Otte, Andrew; Pinal, Rodolfo

2014-09-01

A novel method for the simultaneous production and formulation of pharmaceutical cocrystals, matrix-assisted cocrystallization (MAC), is presented. Hot-melt extrusion (HME) is used to create cocrystals by coprocessing the drug and coformer in the presence of a matrix material. Carbamazepine (CBZ), nicotinamide (NCT), and Soluplus were used as a model drug, coformer, and matrix, respectively. The MAC product containing 80:20 (w/w) cocrystal:matrix was characterized by differential scanning calorimetry, Fourier transform infrared spectroscopy, and powder X-ray diffraction. A partial least squares (PLS) regression model was developed for quantifying the efficiency of cocrystal formation. The MAC product was estimated to be 78% (w/w) cocrystal (theoretical 80%), with approximately 0.3% mixture of free (unreacted) CBZ and NCT, and 21.6% Soluplus (theoretical 20%) with the PLS model. A physical mixture (PM) of a reference cocrystal (RCC), prepared by precipitation from solution, and Soluplus resulted in faster dissolution relative to the pure RCC. However, the MAC product with the exact same composition resulted in considerably faster dissolution and higher maximum concentration (∼five-fold) than those of the PM. The MAC product consists of high-quality cocrystals embedded in a matrix. The processing aspect of MAC plays a major role on the faster dissolution observed. The MAC approach offers a scalable process, suitable for the continuous manufacturing and formulation of pharmaceutical cocrystals. © 2014 Wiley Periodicals, Inc. and the American Pharmacists Association.

How Should the Graduate Economics Core Be Changed?

ERIC Educational Resources Information Center

Abito, Jose Miguel; Borovickova, Katarina; Golden, Hays; Goldin, Jacob; Masten, Matthew A.; Morin, Miguel; Poirier, Alexandre; Pons, Vincent; Romem, Israel; Williams, Tyler; Yoon, Chamna

2011-01-01

The authors present suggestions by graduate students from a range of economics departments for improving the first-year core sequence in economics. The students identified a number of elements that should be added to the core: more training in building microeconomic models, a discussion of the methodological foundations of model-building, more…

Toward a mineral physics reference model for the Moon’s core

PubMed Central

Antonangeli, Daniele; Morard, Guillaume; Schmerr, Nicholas C.; Komabayashi, Tetsuya; Krisch, Michael; Fiquet, Guillaume; Fei, Yingwei

2015-01-01

The physical properties of iron (Fe) at high pressure and high temperature are crucial for understanding the chemical composition, evolution, and dynamics of planetary interiors. Indeed, the inner structures of the telluric planets all share a similar layered nature: a central metallic core composed mostly of iron, surrounded by a silicate mantle, and a thin, chemically differentiated crust. To date, most studies of iron have focused on the hexagonal closed packed (hcp, or ε) phase, as ε-Fe is likely stable across the pressure and temperature conditions of Earth’s core. However, at the more moderate pressures characteristic of the cores of smaller planetary bodies, such as the Moon, Mercury, or Mars, iron takes on a face-centered cubic (fcc, or γ) structure. Here we present compressional and shear wave sound velocity and density measurements of γ-Fe at high pressures and high temperatures, which are needed to develop accurate seismic models of planetary interiors. Our results indicate that the seismic velocities proposed for the Moon’s inner core by a recent reanalysis of Apollo seismic data are well below those of γ-Fe. Our dataset thus provides strong constraints to seismic models of the lunar core and cores of small telluric planets. This allows us to propose a direct compositional and velocity model for the Moon’s core. PMID:25775531

Structural response of 1/20-scale models of the Clinch River Breeder Reactor to a simulated hypothetical core disruptive accident. Technical report 4

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

Romander, C. M.; Cagliostro, D. J.

Five experiments were performed to help evaluate the structural integrity of the reactor vessel and head design and to verify code predictions. In the first experiment (SM 1), a detailed model of the head was loaded statically to determine its stiffness. In the remaining four experiments (SM 2 to SM 5), models of the vessel and head were loaded dynamically under a simulated 661 MW-sec hypothetical core disruptive accident (HCDA). Models SM 2 to SM 4, each of increasing complexity, systematically showed the effects of upper internals structures, a thermal liner, core support platform, and torospherical bottom on vessel response.more » Model SM 5, identical to SM 4 but more heavily instrumented, demonstrated experimental reproducibility and provided more comprehensive data. The models consisted of a Ni 200 vessel and core barrel, a head with shielding and simulated component masses, an upper internals structure (UIS), and, in the more complex models SM 4 and SM 5, a Ni 200 thermal liner and core support structure. Water simulated the liquid sodium coolant and a low-density explosive simulated the HCDA loads.« less

Velocity and Attenuation Structure of the Earth's Inner Core Boundary From Semi-Automatic Waveform Modeling

NASA Astrophysics Data System (ADS)

Jin, J.; Song, X.; Sun, D.; Helmberger, D. V.

2013-12-01

The structure of the Earth's inner core boundary (ICB) is complex. Hemispherical differences and local variations of velocity and attenuation structures, as well as the ICB topography have been reported in previous studies. We are using an automatic waveform modeling method to improve the resolution of the ICB structures. The full waveforms of triplicated PKP phases at distance ranges from 120 to 165 degrees are used to model the lowermost 200 km of the outer core and the uppermost 600km of the inner core. Given a 1D velocity and attenuation model, synthetic seismograms are generated by Generalized Ray Theory. We are also experimenting 2D synthetic methods (WKM, AXISEM, and 2D FD) for 2D models (in the mantle and the inner core). The source time function is determined by observed seismic data. We use neighborhood algorithm to search for a group of models that minimize the misfit between predictions and observations. Tests on synthetic data show the efficiency of this method in resolving detailed velocity and attenuation structures of the ICB simultaneously. We are analyzing seismic record sections at dense arrays along different paths and will report our modeling and inversion results in the meeting.

Top-down freezing in a Fe-FeS core and Ganymede's present-day magnetic field

NASA Astrophysics Data System (ADS)

Rückriemen, Tina; Breuer, Doris; Spohn, Tilman

2018-06-01

Ganymede's core most likely possesses an active dynamo today, which produces a magnetic field at the surface of ∼ 719 nT. Thermochemical convection triggered by cooling of the core is a feasible power source for the dynamo. Experiments of different research groups indicate low pressure gradients of the melting temperatures for Fe-FeS core alloys at pressures prevailing in Ganymede's core ( < 10 GPa). This may entail that the core crystallizes from the top instead of from the bottom as is expected for Earth's core. Depending on the core sulfur concentration being more iron- or more sulfur-rich than the eutectic concentration either snowing iron crystals or a solid FeS layer can form at the top of the core. We investigate whether these two core crystallization scenarios are capable of explaining Ganymede's present magnetic activity. To do so, we set up a parametrized one-dimensional thermal evolution model. We explore a wide range of parameters by running a large set of Monte Carlo simulations. Both freezing scenarios can explain Ganymede's present-day magnetic field. Dynamos of iron snow models are rather young ( < 1 Gyr), whereas dynamos below the FeS layer can be both young and much older ( ∼ 3.8 Gyr). Successful models preferably contain less radiogenic heat sources in the mantle than the chondritic abundance and show a correlation between the reference viscosity in the mantle and the initial core sulfur concentration.

Deriving a Core Magnetic Field Model from Swarm Satellite Data

NASA Astrophysics Data System (ADS)

Lesur, V.; Rother, M.; Wardinski, I.

2014-12-01

A model of the Earth's core magnetic field has been built using Swarm satellite mission data and observatory quasi-definitive data. The satellite data processing scheme, which was used to derive previous satellite field models (i.e. GRIMM series), has been modified to handle discrepancies between the satellite total intensity data derived from the vector fluxgate magnetometer and the absolute scalar instrument. Further, the Euler angles, i.e. the angles between the vector magnetometer and the satellite reference frame, have been recalculated on a series of 30-day windows to obtain an accurate model of the core field for 2014. Preliminary derivations of core magnetic field and SV models for 2014 present the same characteristics as during the CHAMP era. The acceleration (i.e. the field second time derivative) has shown a rapid evolution over the last few years, and is present in the current model, which confirms previous observations.

Preparing for Exascale: Towards convection-permitting, global atmospheric simulations with the Model for Prediction Across Scales (MPAS)

NASA Astrophysics Data System (ADS)

Heinzeller, Dominikus; Duda, Michael G.; Kunstmann, Harald

2017-04-01

With strong financial and political support from national and international initiatives, exascale computing is projected for the end of this decade. Energy requirements and physical limitations imply the use of accelerators and the scaling out to orders of magnitudes larger numbers of cores then today to achieve this milestone. In order to fully exploit the capabilities of these Exascale computing systems, existing applications need to undergo significant development. The Model for Prediction Across Scales (MPAS) is a novel set of Earth system simulation components and consists of an atmospheric core, an ocean core, a land-ice core and a sea-ice core. Its distinct features are the use of unstructured Voronoi meshes and C-grid discretisation to address shortcomings of global models on regular grids and the use of limited area models nested in a forcing data set, with respect to parallel scalability, numerical accuracy and physical consistency. Here, we present work towards the application of the atmospheric core (MPAS-A) on current and future high performance computing systems for problems at extreme scale. In particular, we address the issue of massively parallel I/O by extending the model to support the highly scalable SIONlib library. Using global uniform meshes with a convection-permitting resolution of 2-3km, we demonstrate the ability of MPAS-A to scale out to half a million cores while maintaining a high parallel efficiency. We also demonstrate the potential benefit of a hybrid parallelisation of the code (MPI/OpenMP) on the latest generation of Intel's Many Integrated Core Architecture, the Intel Xeon Phi Knights Landing.

THE ROLE OF THE MAGNETOROTATIONAL INSTABILITY IN MASSIVE STARS

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

Wheeler, J. Craig; Kagan, Daniel; Chatzopoulos, Emmanouil, E-mail: wheel@astro.as.utexas.edu

2015-01-20

The magnetorotational instability (MRI) is key to physics in accretion disks and is widely considered to play some role in massive star core collapse. Models of rotating massive stars naturally develop very strong shear at composition boundaries, a necessary condition for MRI instability, and the MRI is subject to triply diffusive destabilizing effects in radiative regions. We have used the MESA stellar evolution code to compute magnetic effects due to the Spruit-Tayler (ST) mechanism and the MRI, separately and together, in a sample of massive star models. We find that the MRI can be active in the later stages ofmore » massive star evolution, leading to mixing effects that are not captured in models that neglect the MRI. The MRI and related magnetorotational effects can move models of given zero-age main sequence mass across ''boundaries'' from degenerate CO cores to degenerate O/Ne/Mg cores and from degenerate O/Ne/Mg cores to iron cores, thus affecting the final evolution and the physics of core collapse. The MRI acting alone can slow the rotation of the inner core in general agreement with the observed ''initial'' rotation rates of pulsars. The MRI analysis suggests that localized fields ∼10{sup 12} G may exist at the boundary of the iron core. With both the ST and MRI mechanisms active in the 20 M {sub ☉} model, we find that the helium shell mixes entirely out into the envelope. Enhanced mixing could yield a population of yellow or even blue supergiant supernova progenitors that would not be standard SN IIP.« less

Constraining Mercury's interior structure with geodesy data and its present thermal state

NASA Astrophysics Data System (ADS)

Rivoldini, Attilio; Van Hoolst, Tim; Noack, Lena

2015-04-01

Recent measurements of Mercury's spin state and gravitational field supplemented by the assumption that the planet's core is made of iron and sulfur give strong constraints on its interior structure. In particular, they allow a precise determination of Mercury's core size and average mantle density. Present geodesy data do, however, almost not constrain the size of the inner core. Interior structure models with a fully molten liquid core as well as models with an inner core almost as large as the core agree with the observations. Additionally, the observed internally generated magnetic field of Mercury does not preclude the absence of an inner core, since remelting of iron snow inside the core could produce a sufficient buoyancy flux to drive magnetic field generation by compositional convection. Although sulfur is ubiquitously invoked as being the principal candidate light element in terrestrial planet's cores its abundance in the core depends on the redox conditions during planetary formation. Remote sensing data of Mercury's surface by MESSENGER indicate that Mercury formed under reducing conditions. As a consequence, substantial amounts of other light elements like for example silicon and carbon could be present together with sulfur inside Mercury's core. Compared to sulfur, which does almost not partition into solid iron at Mercury's core conditions, silicon partitions almost equally well between solid and liquid iron whereas a few percent of carbon can partition into solid iron. Therefore, compared to a pure iron-sulfur core, if silicon and carbon are present in the core the density jump at the inner-core outer-core boundary could be smaller and induce a large enough change in the inner-core flattening to alter Mercury's libration amplitude. Moreover, the presence of carbon together with sulfur further reduces the core solidus temperature, potentially delaying the onset of inner core formation. Finally, if both silicon and sulfur are present in sufficient quantities a thin layer much enriched in sulfur and depleted in silicon could form at the top of the core as a consequence of a large immiscibility region in liquid Fe-S-Si at Mercury's core conditions. The present radius of an inner core depends mainly on Mercury's thermal state and concentration of light elements inside the core. Because of the secular cooling of the planet, at a time in Mercury's evolution the temperature inside the core drops below the core liquidus temperature somewhere in the core, which can lead to the formation of an inner core and to the global contraction of the planet. The amount of contraction depends mainly on the temperature decrease, on the thermal expansion of the materials inside the planet, on the volume of crystallized iron-rich core liquid, and on the volume of crystallized crust. In this study we use geodesy data (88 day libration amplitude, polar moment of inertia, and tidal Love number), the recent estimate about the radial contraction of Mercury, and thermo-chemical evolution calculations taking into account the formation of the crust, a growing inner core, and modeling the formation of iron-rich snow in the core in order to improve our knowledge about Mercury's inner core radius and thermal state. Since data from remote sensing of Mercury's surface indicate that Mercury formed under reducing conditions we consider models that have sulfur, silicon, and carbon as light elements inside their core.

Experimental constraints on light elements in the Earth’s outer core

PubMed Central

Zhang, Youjun; Sekine, Toshimori; He, Hongliang; Yu, Yin; Liu, Fusheng; Zhang, Mingjian

2016-01-01

Earth’s outer core is liquid and dominantly composed of iron and nickel (~5–10 wt%). Its density, however, is ~8% lower than that of liquid iron, and requires the presence of a significant amount of light element(s). A good way to specify the light element(s) is a direct comparison of density and sound velocity measurements between seismological data and those of possible candidate compositions at the core conditions. We report the sound velocity measurements of a model core composition in the Fe-Ni-Si system at the outer core conditions by shock-wave experiments. Combining with the previous studies, we found that the best estimate for the outer core’s light elements is ~6 wt% Si, ~2 wt% S, and possible ~1–2.5 wt% O. This composition satisfies the requirements imposed by seismology, geochemistry, and some models of the early core formation. This finding may help us to further constrain the thermal structure of the Earth and the models of Earth’s core formation. PMID:26932596

Too Big to Be Real? No Depleted Core in Holm 15A

NASA Astrophysics Data System (ADS)

Bonfini, Paolo; Dullo, Bililign T.; Graham, Alister W.

2015-07-01

Partially depleted cores, as measured by core-Sérsic model “break radii,” are typically tens to a few hundred parsecs in size. Here we investigate the unusually large ({R}γ \\prime =0.5 = 4.57 kpc) depleted core recently reported for Holm 15A, the brightest cluster galaxy of Abell 85. We model the one-dimensional (1D) light profile, and also the two-dimensional (2D) image (using Galfit-Corsair, a tool for fitting the core-Sérsic model in 2D). We find good agreement between the 1D and 2D analyses, with minor discrepancies attributable to intrinsic ellipticity gradients. We show that a simple Sérsic profile (with a low index n and no depleted core) plus the known outer exponential “halo” provide a good description of the stellar distribution. We caution that while almost every galaxy light profile will have a radius where the negative logarithmic slope of the intensity profile γ \\prime equals 0.5, this alone does not imply the presence of a partially depleted core within this radius.

The thermal evolution of Mercury's Fe-Si core

NASA Astrophysics Data System (ADS)

Knibbe, Jurriën Sebastiaan; van Westrenen, Wim

2018-01-01

We have studied the thermal and magnetic field evolution of planet Mercury with a core of Fe-Si alloy to assess whether an Fe-Si core matches its present-day partially molten state, Mercury's magnetic field strength, and the observed ancient crustal magnetization. The main advantages of an Fe-Si core, opposed to a previously assumed Fe-S core, are that a Si-bearing core is consistent with the highly reduced nature of Mercury and that no compositional convection is generated upon core solidification, in agreement with magnetic field indications of a stable layer at the top of Mercury's core. This study also present the first implementation of a conductive temperature profile in the core where heat fluxes are sub-adiabatic in a global thermal evolution model. We show that heat migrates from the deep core to the outer part of the core as soon as heat fluxes at the outer core become sub-adiabatic. As a result, the deep core cools throughout Mercury's evolution independent of the temperature evolution at the core-mantle boundary, causing an early start of inner core solidification and magnetic field generation. The conductive layer at the outer core suppresses the rate of core growth after temperature differences between the deep and shallow core are relaxed, such that a magnetic field can be generated until the present. Also, the outer core and mantle operate at higher temperatures than previously thought, which prolongs mantle melting and mantle convection. The results indicate that S is not a necessary ingredient of Mercury's core, bringing bulk compositional models of Mercury more in line with reduced meteorite analogues.

Reconstruction of a digital core containing clay minerals based on a clustering algorithm.

PubMed

He, Yanlong; Pu, Chunsheng; Jing, Cheng; Gu, Xiaoyu; Chen, Qingdong; Liu, Hongzhi; Khan, Nasir; Dong, Qiaoling

2017-10-01

It is difficult to obtain a core sample and information for digital core reconstruction of mature sandstone reservoirs around the world, especially for an unconsolidated sandstone reservoir. Meanwhile, reconstruction and division of clay minerals play a vital role in the reconstruction of the digital cores, although the two-dimensional data-based reconstruction methods are specifically applicable as the microstructure reservoir simulation methods for the sandstone reservoir. However, reconstruction of clay minerals is still challenging from a research viewpoint for the better reconstruction of various clay minerals in the digital cores. In the present work, the content of clay minerals was considered on the basis of two-dimensional information about the reservoir. After application of the hybrid method, and compared with the model reconstructed by the process-based method, the digital core containing clay clusters without the labels of the clusters' number, size, and texture were the output. The statistics and geometry of the reconstruction model were similar to the reference model. In addition, the Hoshen-Kopelman algorithm was used to label various connected unclassified clay clusters in the initial model and then the number and size of clay clusters were recorded. At the same time, the K-means clustering algorithm was applied to divide the labeled, large connecting clusters into smaller clusters on the basis of difference in the clusters' characteristics. According to the clay minerals' characteristics, such as types, textures, and distributions, the digital core containing clay minerals was reconstructed by means of the clustering algorithm and the clay clusters' structure judgment. The distributions and textures of the clay minerals of the digital core were reasonable. The clustering algorithm improved the digital core reconstruction and provided an alternative method for the simulation of different clay minerals in the digital cores.

Interpretation of the results of the CORA-33 dry core BWR test

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

Ott, L.J.; Hagen, S.

All BWR degraded core experiments performed prior to CORA-33 were conducted under ``wet`` core degradation conditions for which water remains within the core and continuous steaming feeds metal/steam oxidation reactions on the in-core metallic surfaces. However, one dominant set of accident scenarios would occur with reduced metal oxidation under ``dry`` core degradation conditions and, prior to CORA-33, this set had been neglected experimentally. The CORA-33 experiment was designed specifically to address this dominant set of BWR ``dry`` core severe accident scenarios and to partially resolve phenomenological uncertainties concerning the behavior of relocating metallic melts draining into the lower regions ofmore » a ``dry`` BWR core. CORA-33 was conducted on October 1, 1992, in the CORA tests facility at KfK. Review of the CORA-33 data indicates that the test objectives were achieved; that is, core degradation occurred at a core heatup rate and a test section axial temperature profile that are prototypic of full-core nuclear power plant (NPP) simulations at ``dry`` core conditions. Simulations of the CORA-33 test at ORNL have required modification of existing control blade/canister materials interaction models to include the eutectic melting of the stainless steel/Zircaloy interaction products and the heat of mixing of stainless steel and Zircaloy. The timing and location of canister failure and melt intrusion into the fuel assembly appear to be adequately simulated by the ORNL models. This paper will present the results of the posttest analyses carried out at ORNL based upon the experimental data and the posttest examination of the test bundle at KfK. The implications of these results with respect to degraded core modeling and the associated safety issues are also discussed.« less

Adaptive Core Simulation Employing Discrete Inverse Theory - Part I: Theory

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

Abdel-Khalik, Hany S.; Turinsky, Paul J.

2005-07-15

Use of adaptive simulation is intended to improve the fidelity and robustness of important core attribute predictions such as core power distribution, thermal margins, and core reactivity. Adaptive simulation utilizes a selected set of past and current reactor measurements of reactor observables, i.e., in-core instrumentation readings, to adapt the simulation in a meaningful way. A meaningful adaption will result in high-fidelity and robust adapted core simulator models. To perform adaption, we propose an inverse theory approach in which the multitudes of input data to core simulators, i.e., reactor physics and thermal-hydraulic data, are to be adjusted to improve agreement withmore » measured observables while keeping core simulator models unadapted. At first glance, devising such adaption for typical core simulators with millions of input and observables data would spawn not only several prohibitive challenges but also numerous disparaging concerns. The challenges include the computational burdens of the sensitivity-type calculations required to construct Jacobian operators for the core simulator models. Also, the computational burdens of the uncertainty-type calculations required to estimate the uncertainty information of core simulator input data present a demanding challenge. The concerns however are mainly related to the reliability of the adjusted input data. The methodologies of adaptive simulation are well established in the literature of data adjustment. We adopt the same general framework for data adjustment; however, we refrain from solving the fundamental adjustment equations in a conventional manner. We demonstrate the use of our so-called Efficient Subspace Methods (ESMs) to overcome the computational and storage burdens associated with the core adaption problem. We illustrate the successful use of ESM-based adaptive techniques for a typical boiling water reactor core simulator adaption problem.« less

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

Johnson, Grant E.; Moser, Trevor; Engelhard, Mark

About 40 years ago, it was shown that tungsten carbide exhibits similar catalytic behavior to Pt for certain commercially relevant reactions, thereby suggesting the possibility of cheaper and earth-abundant substitutes for costly and rare precious metal catalysts. In this work, reactive magnetron sputtering of Ta in the presence of three model hydrocarbons (2-butanol, heptane, and m-xylene) combined with gas aggregation and ion soft landing was employed to prepare organic-inorganic hybrid nanoparticles (NPs) on surfaces for evaluation of catalytic activity and durability. The electro-catalytic behavior of the NPs supported on glassy carbon was evaluated in acidic aqueous solution by cyclic voltammetry.more » The Ta-heptane and Ta-xylene NPs were revealed to be active and robust toward promotion of the oxygen reduction reaction, an important process occurring at the cathode in fuel cells. In comparison, pure Ta and Ta-butanol NPs were essentially unreactive. Characterization techniques including atomic force microscopy (AFM), X-ray photoelectron spectroscopy (XPS), and transmission electron microscopy (TEM) were applied to probe how different sputtering conditions such as the flow rates of gases, sputtering current, and aggregation length affect the properties of the NPs. AFM images reveal the focused size of the NPs as well as their preferential binding along the step edges of graphite surfaces. In comparison, TEM images of the same NPs on carbon grids show that they bind randomly to the surface with some agglomeration but little coalescence. The TEM images also reveal morphologies with crystalline cores surrounded by amorphous regions for NPs formed in the presence of 2-butanol and heptane. In contrast, NPs formed in the presence of m-xylene are amorphous throughout. XPS spectra indicate that while the percentage of Ta, C, and O in the NPs varies depending on the sputtering conditions and hydrocarbon employed, the electron binding energies of the elements are similar for all of the NPs. The difference in reactivity between the NPs is attributed to their Ta/C ratios. Collectively, the findings presented herein indicate that reactive magnetron sputtering and gas aggregation combined with ion soft landing offer a promising physical approach for the synthesis of organic-inorganic hybrid NPs that have potential as low-cost durable substitutes for precious metals in catalysis« less

Fabrication of electrocatalytic Ta nanoparticles by reactive sputtering and ion soft landing.

PubMed

Johnson, Grant E; Moser, Trevor; Engelhard, Mark; Browning, Nigel D; Laskin, Julia

2016-11-07

About 40 years ago, it was shown that tungsten carbide exhibits similar catalytic behavior to Pt for certain commercially relevant reactions, thereby suggesting the possibility of cheaper and earth-abundant substitutes for costly and rare precious metal catalysts. In this work, reactive magnetron sputtering of Ta in the presence of three model hydrocarbons (2-butanol, heptane, and m-xylene) combined with gas aggregation and ion soft landing was employed to prepare organic-inorganic hybrid nanoparticles (NPs) on surfaces for evaluation of catalytic activity and durability. The electrocatalytic behavior of the NPs supported on glassy carbon was evaluated in acidic aqueous solution by cyclic voltammetry. The Ta-heptane and Ta-xylene NPs were revealed to be active and robust toward promotion of the oxygen reduction reaction, an important process occurring at the cathode in fuel cells. In comparison, pure Ta and Ta-butanol NPs were essentially unreactive. Characterization techniques including atomic force microscopy (AFM), X-ray photoelectron spectroscopy (XPS), and transmission electron microscopy (TEM) were applied to probe how different sputtering conditions such as the flow rates of gases, sputtering current, and aggregation length affect the properties of the NPs. AFM images reveal the focused size of the NPs as well as their preferential binding along the step edges of graphite surfaces. In comparison, TEM images of the same NPs on carbon grids show that they bind randomly to the surface with some agglomeration but little coalescence. The TEM images also reveal morphologies with crystalline cores surrounded by amorphous regions for NPs formed in the presence of 2-butanol and heptane. In contrast, NPs formed in the presence of m-xylene are amorphous throughout. XPS spectra indicate that while the percentage of Ta, C, and O in the NPs varies depending on the sputtering conditions and hydrocarbon employed, the electron binding energies of the elements are similar for all of the NPs. The difference in reactivity between the NPs is attributed to their Ta/C ratios. Collectively, the findings presented herein indicate that reactive magnetron sputtering and gas aggregation combined with ion soft landing offer a promising physical approach for the synthesis of organic-inorganic hybrid NPs that have potential as low-cost durable substitutes for precious metals in catalysis.

A new look at sulphur chemistry in hot cores and corinos

NASA Astrophysics Data System (ADS)

Vidal, Thomas H. G.; Wakelam, Valentine

2018-03-01

Sulphur-bearing species are often used to probe the evolution of hot cores because their abundances are particularly sensitive to physical and chemical variations. However, the chemistry of sulphur is not well understood in these regions, notably because observations of several hot cores have displayed a large variety of sulphur compositions, and because the reservoir of sulphur in dense clouds, in which hot cores form, is still poorly constrained. In order to help disentangle its complexity, we present a fresh comprehensive review of sulphur chemistry in hot cores along with a study of sulphur's sensibility to temperature and pre-collapse chemical composition. In parallel, we analyse the discrepencies that result from the use of two different types of models (static and dynamic) in order to highlight the sensitivity to the choice of model to be used in astrochemical studies. Our results show that the pre-collapse chemical composition is a critical parameter for sulphur chemistry in hot cores and that it could explain the different sulphur compositions observed. We also report that differences in abundances for a given species between the static and dynamic models can reach six orders of magnitude in the hot core, which reveals the key role of the choice of model in astrochemical studies.

Wisconsin Model Early Learning Standards Alignment with Wisconsin Common Core State Standards for English Language Arts and Mathematics

ERIC Educational Resources Information Center

Wisconsin Department of Public Instruction, 2011

2011-01-01

Wisconsin's adoption of the Common Core State Standards provides an excellent opportunity for Wisconsin school districts and communities to define expectations from birth through preparation for college and work. By aligning the existing Wisconsin Model Early Learning Standards with the Wisconsin Common Core State Standards, expectations can be…

Geoacoustic models of Coastal Bottom Strata at Jeongdongjin in the Korean continental margin of the East Sea

NASA Astrophysics Data System (ADS)

Ryang, Woo Hun; Han, Jooyoung

2017-04-01

Geoacoustic models provide submarine environmental data to predict sound transmission through submarine bottom layers of sedimentary strata and acoustic basement. This study reconstructed four geoacoustic models for sediments of 50 m thick at the Jeongdongjin area in the western continental margin of the East Sea. Bottom models were based on about 1100 line-km data of the high-resolution air-gun seismic and subbottom profiles (SBP) with sediment cores. The 4 piston cores were analyzed for reconstruction of the bottom and geoacoustic models in the study area, together with 2 long cores in the adjacent area. P-wave speed in the core sediment was measured by the pulse transmission technique, and the resonance frequency of piezoelectric transducers was maintained at 1 MHz. Measurements of 42 P-wave speeds and 41 attenuations were fulfilled in three core sediments. For actual modeling, the P-wave speeds of the models were compensated to in situ depth below the sea floor using the Hamilton method. These geoacoustic models of coastal bottom strata will be used for geoacoustic and underwater acoustic experiments reflecting vertical and lateral variability of geoacoustic properties in the Jeongdongjin area of the East Sea. Keywords: geoacosutic model, bottom model, P-wave speed, Jeongdongjin, East Sea Acknowledgements: This research was supported by the research grants from the Agency of Defense Development (UD140003DD and UE140033DD).

Longitudinal factorial invariance of the PedsQL 4.0 Generic Core Scales child self-report Version: one year prospective evidence from the California State Children's Health Insurance Program (SCHIP).

PubMed

Varni, James W; Limbers, Christine A; Newman, Daniel A; Seid, Michael

2008-11-01

The measurement of health-related quality of life (HRQOL) in pediatric medicine and health services research has grown significantly over the past decade. The paradigm shift toward patient-reported outcomes (PROs) has provided the opportunity to emphasize the value and critical need for pediatric patient self-report. In order for changes in HRQOL/PRO outcomes to be meaningful over time, it is essential to demonstrate longitudinal factorial invariance. This study examined the longitudinal factor structure of the PedsQL 4.0 Generic Core Scales over a one-year period for child self-report ages 5-17 in 2,887 children from a statewide evaluation of the California State Children's Health Insurance Program (SCHIP) utilizing a structural equation modeling framework. Specifying four- and five-factor measurement models, longitudinal structural equation modeling was used to compare factor structures over a one-year interval on the PedsQL 4.0 Generic Core Scales. While the four-factor conceptually-derived measurement model for the PedsQL 4.0 Generic Core Scales produced an acceptable fit, the five-factor empirically-derived measurement model from the initial field test of the PedsQL 4.0 Generic Core Scales produced a marginally superior fit in comparison to the four-factor model. For the five-factor measurement model, the best fitting model, strict factorial invariance of the PedsQL 4.0 Generic Core Scales across the two measurement occasions was supported by the stability of the comparative fit index between the unconstrained and constrained models, and several additional indices of practical fit including the root mean squared error of approximation, the non-normed fit index, and the parsimony normed fit index. The findings support an equivalent factor structure on the PedsQL 4.0 Generic Core Scales over time. Based on these data, it can be concluded that over a one-year period children in our study interpreted items on the PedsQL 4.0 Generic Core Scales in a similar manner.

Validation of the MCNP computational model for neutron flux distribution with the neutron activation analysis measurement

NASA Astrophysics Data System (ADS)

Tiyapun, K.; Chimtin, M.; Munsorn, S.; Somchit, S.

2015-05-01

The objective of this work is to demonstrate the method for validating the predication of the calculation methods for neutron flux distribution in the irradiation tubes of TRIGA research reactor (TRR-1/M1) using the MCNP computer code model. The reaction rate using in the experiment includes 27Al(n, α)24Na and 197Au(n, γ)198Au reactions. Aluminium (99.9 wt%) and gold (0.1 wt%) foils and the gold foils covered with cadmium were irradiated in 9 locations in the core referred to as CT, C8, C12, F3, F12, F22, F29, G5, and G33. The experimental results were compared to the calculations performed using MCNP which consisted of the detailed geometrical model of the reactor core. The results from the experimental and calculated normalized reaction rates in the reactor core are in good agreement for both reactions showing that the material and geometrical properties of the reactor core are modelled very well. The results indicated that the difference between the experimental measurements and the calculation of the reactor core using the MCNP geometrical model was below 10%. In conclusion the MCNP computational model which was used to calculate the neutron flux and reaction rate distribution in the reactor core can be used for others reactor core parameters including neutron spectra calculation, dose rate calculation, power peaking factors calculation and optimization of research reactor utilization in the future with the confidence in the accuracy and reliability of the calculation.

Reactive flow modeling of small scale detonation failure experiments for a baseline non-ideal explosive

NASA Astrophysics Data System (ADS)

Kittell, David E.; Cummock, Nick R.; Son, Steven F.

2016-08-01

Small scale characterization experiments using only 1-5 g of a baseline ammonium nitrate plus fuel oil (ANFO) explosive are discussed and simulated using an ignition and growth reactive flow model. There exists a strong need for the small scale characterization of non-ideal explosives in order to adequately survey the wide parameter space in sample composition, density, and microstructure of these materials. However, it is largely unknown in the scientific community whether any useful or meaningful result may be obtained from detonation failure, and whether a minimum sample size or level of confinement exists for the experiments. In this work, it is shown that the parameters of an ignition and growth rate law may be calibrated using the small scale data, which is obtained from a 35 GHz microwave interferometer. Calibration is feasible when the samples are heavily confined and overdriven; this conclusion is supported with detailed simulation output, including pressure and reaction contours inside the ANFO samples. The resulting shock wave velocity is most likely a combined chemical-mechanical response, and simulations of these experiments require an accurate unreacted equation of state (EOS) in addition to the calibrated reaction rate. Other experiments are proposed to gain further insight into the detonation failure data, as well as to help discriminate between the role of the EOS and reaction rate in predicting the measured outcome.

Reactive flow modeling of small scale detonation failure experiments for a baseline non-ideal explosive

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

Kittell, David E.; Cummock, Nick R.; Son, Steven F.

2016-08-14

Small scale characterization experiments using only 1–5 g of a baseline ammonium nitrate plus fuel oil (ANFO) explosive are discussed and simulated using an ignition and growth reactive flow model. There exists a strong need for the small scale characterization of non-ideal explosives in order to adequately survey the wide parameter space in sample composition, density, and microstructure of these materials. However, it is largely unknown in the scientific community whether any useful or meaningful result may be obtained from detonation failure, and whether a minimum sample size or level of confinement exists for the experiments. In this work, itmore » is shown that the parameters of an ignition and growth rate law may be calibrated using the small scale data, which is obtained from a 35 GHz microwave interferometer. Calibration is feasible when the samples are heavily confined and overdriven; this conclusion is supported with detailed simulation output, including pressure and reaction contours inside the ANFO samples. The resulting shock wave velocity is most likely a combined chemical-mechanical response, and simulations of these experiments require an accurate unreacted equation of state (EOS) in addition to the calibrated reaction rate. Other experiments are proposed to gain further insight into the detonation failure data, as well as to help discriminate between the role of the EOS and reaction rate in predicting the measured outcome.« less

Efficient utilization of greenhouse gases in a gas-to-liquids process combined with CO2/steam-mixed reforming and Fe-based Fischer-Tropsch synthesis.

PubMed

Zhang, Chundong; Jun, Ki-Won; Ha, Kyoung-Su; Lee, Yun-Jo; Kang, Seok Chang

2014-07-15

Two process models for carbon dioxide utilized gas-to-liquids (GTL) process (CUGP) mainly producing light olefins and Fischer-Tropsch (F-T) synthetic oils were developed by Aspen Plus software. Both models are mainly composed of a reforming unit, an F-T synthesis unit and a recycle unit, while the main difference is the feeding point of fresh CO2. In the reforming unit, CO2 reforming and steam reforming of methane are combined together to produce syngas in flexible composition. Meanwhile, CO2 hydrogenation is conducted via reverse water gas shift on the Fe-based catalysts in the F-T synthesis unit to produce hydrocarbons. After F-T synthesis, the unreacted syngas is recycled to F-T synthesis and reforming units to enhance process efficiency. From the simulation results, it was found that the carbon efficiencies of both CUGP options were successfully improved, and total CO2 emissions were significantly reduced, compared with the conventional GTL processes. The process efficiency was sensitive to recycle ratio and more recycle seemed to be beneficial for improving process efficiency and reducing CO2 emission. However, the process efficiency was rather insensitive to split ratio (recycle to reforming unit/total recycle), and the optimum split ratio was determined to be zero.

Highly Efficient Parallel Multigrid Solver For Large-Scale Simulation of Grain Growth Using the Structural Phase Field Crystal Model

NASA Astrophysics Data System (ADS)

Guan, Zhen; Pekurovsky, Dmitry; Luce, Jason; Thornton, Katsuyo; Lowengrub, John

The structural phase field crystal (XPFC) model can be used to model grain growth in polycrystalline materials at diffusive time-scales while maintaining atomic scale resolution. However, the governing equation of the XPFC model is an integral-partial-differential-equation (IPDE), which poses challenges in implementation onto high performance computing (HPC) platforms. In collaboration with the XSEDE Extended Collaborative Support Service, we developed a distributed memory HPC solver for the XPFC model, which combines parallel multigrid and P3DFFT. The performance benchmarking on the Stampede supercomputer indicates near linear strong and weak scaling for both multigrid and transfer time between multigrid and FFT modules up to 1024 cores. Scalability of the FFT module begins to decline at 128 cores, but it is sufficient for the type of problem we will be examining. We have demonstrated simulations using 1024 cores, and we expect to achieve 4096 cores and beyond. Ongoing work involves optimization of MPI/OpenMP-based codes for the Intel KNL Many-Core Architecture. This optimizes the code for coming pre-exascale systems, in particular many-core systems such as Stampede 2.0 and Cori 2 at NERSC, without sacrificing efficiency on other general HPC systems.

Citric acid modified kenaf core fibres for removal of methylene blue from aqueous solution.

PubMed

Sajab, Mohd Shaiful; Chia, Chin Hua; Zakaria, Sarani; Jani, Saad Mohd; Ayob, Mohd Khan; Chee, Kah Leong; Khiew, Poi Sim; Chiu, Wee Siong

2011-08-01

Chemically modified kenaf core fibres were prepared via esterification in the presence of citric acid (CA). The adsorption kinetics and isotherm studies were carried out under different conditions to examine the adsorption efficiency of CA-treated kenaf core fibres towards methylene blue (MB). The adsorption capacity of the kenaf core fibres increased significantly after the citric acid treatment. The values of the correlation coefficients indicated that the Langmuir isotherm fitted the experimental data better than the Freundlich isotherm. The maximum adsorption capacity of the CA-treated kenaf core fibres was found to be 131.6mg/g at 60°C. Kinetic models, pseudo-first-order, pseudo-second-order and intraparticle diffusion, were employed to describe the adsorption mechanism. The kinetic data were found to fit pseudo-second-order model equation as compared to pseudo-first-order model. The adsorption of MB onto the CA-treated kenaf core fibres was spontaneous and endothermic. Copyright © 2011 Elsevier Ltd. All rights reserved.

Effect of light elements on the sound velocities in solid iron: Implications for the composition of Earth's core

NASA Astrophysics Data System (ADS)

Badro, James; Fiquet, Guillaume; Guyot, François; Gregoryanz, Eugene; Occelli, Florent; Antonangeli, Daniele; d'Astuto, Matteo

2007-02-01

We measured compressional sound velocities in light element alloys of iron (FeO, FeSi, FeS, and FeS2) at high-pressure by inelastic X-ray scattering. This dataset provides new mineralogical constraints on the composition of Earth's core, and completes the previous sets formed by the pressure-density systematics for these compounds. Based on the combination of these datasets and their comparison with radial seismic models, we propose an average composition model of the Earth's core. We show that the incorporation of small amounts of silicon or oxygen is compatible with geophysical observations and geochemical abundances. The effect of nickel on the calculated light element contents is shown to be negligible. The preferred core model derived from our measurements is an inner core which contains 2.3 wt.% silicon and traces of oxygen, and an outer core containing 2.8 wt.% silicon and around 5.3 wt.% oxygen.

Transient thermohydraulic heat pipe modeling

NASA Astrophysics Data System (ADS)

Hall, Michael L.; Doster, Joseph M.

Many space based reactor designs employ heat pipes as a means of conveying heat. In these designs, thermal radiation is the principle means for rejecting waste heat from the reactor system, making it desirable to operate at high temperatures. Lithium is generally the working fluid of choice as it undergoes a liquid-vapor transformation at the preferred operating temperature. The nature of remote startup, restart, and reaction to threats necessitates an accurate, detailed transient model of the heat pipe operation. A model is outlined of the vapor core region of the heat pipe which is part of a large model of the entire heat pipe thermal response. The vapor core is modeled using the area averaged Navier-Stokes equations in one dimension, which take into account the effects of mass, energy and momentum transfer. The core model is single phase (gaseous), but contains two components: lithium gas and a noncondensible vapor. The vapor core model consists of the continuity equations for the mixture and noncondensible, as well as mixture equations for internal energy and momentum.

Internal constitution of Mars.

NASA Technical Reports Server (NTRS)

Anderson, D. L.

1972-01-01

Models of the internal structure of Mars consistent with the mass, radius and moment of inertia of the planet are constructed. The models assume that the radius of the core is between 0.36 and 0.60 of the radius of the planet, that the zero-pressure density of the mantle is between 3.54 and 3.49 g/cu cm, and that the planet contains 25 to 28% iron. Meteorite models of Mars containing 25 wt % iron and 12 wt % core are also proposed. It is maintained that Mars in contrast to the earth is an incompletely differentiated planet with a core substantially richer in sulfur than the core of the earth. The absence of a magnetic field on Mars is possibly linked with lack of lunar precessional torque and the small size and high resistivity of the Martian core.

A method for modeling finite-core vortices in wake-flow calculations

NASA Technical Reports Server (NTRS)

Stremel, P. M.

1984-01-01

A numerical method for computing nonplanar vortex wakes represented by finite-core vortices is presented. The approach solves for the velocity on an Eulerian grid, using standard finite-difference techniques; the vortex wake is tracked by Lagrangian methods. In this method, the distribution of continuous vorticity in the wake is replaced by a group of discrete vortices. An axially symmetric distribution of vorticity about the center of each discrete vortex is used to represent the finite-core model. Two distributions of vorticity, or core models, are investigated: a finite distribution of vorticity represented by a third-order polynomial, and a continuous distribution of vorticity throughout the wake. The method provides for a vortex-core model that is insensitive to the mesh spacing. Results for a simplified case are presented. Computed results for the roll-up of a vortex wake generated by wings with different spanwise load distributions are presented; contour plots of the flow-field velocities are included; and comparisons are made of the computed flow-field velocities with experimentally measured velocities.

Neutronics calculation of RTP core

NASA Astrophysics Data System (ADS)

Rabir, Mohamad Hairie B.; Zin, Muhammad Rawi B. Mohamed; Karim, Julia Bt. Abdul; Bayar, Abi Muttaqin B. Jalal; Usang, Mark Dennis Anak; Mustafa, Muhammad Khairul Ariff B.; Hamzah, Na'im Syauqi B.; Said, Norfarizan Bt. Mohd; Jalil, Muhammad Husamuddin B.

2017-01-01

Reactor calculation and simulation are significantly important to ensure safety and better utilization of a research reactor. The Malaysian's PUSPATI TRIGA Reactor (RTP) achieved initial criticality on June 28, 1982. The reactor is designed to effectively implement the various fields of basic nuclear research, manpower training, and production of radioisotopes. Since early 90s, neutronics modelling were used as part of its routine in-core fuel management activities. The are several computer codes have been used in RTP since then, based on 1D neutron diffusion, 2D neutron diffusion and 3D Monte Carlo neutron transport method. This paper describes current progress and overview on neutronics modelling development in RTP. Several important parameters were analysed such as keff, reactivity, neutron flux, power distribution and fission product build-up for the latest core configuration. The developed core neutronics model was validated by means of comparison with experimental and measurement data. Along with the RTP core model, the calculation procedure also developed to establish better prediction capability of RTP's behaviour.

Atomically informed nonlocal semi-discrete variational Peierls-Nabarro model for planar core dislocations

PubMed Central

Liu, Guisen; Cheng, Xi; Wang, Jian; Chen, Kaiguo; Shen, Yao

2017-01-01

Prediction of Peierls stress associated with dislocation glide is of fundamental concern in understanding and designing the plasticity and mechanical properties of crystalline materials. Here, we develop a nonlocal semi-discrete variational Peierls-Nabarro (SVPN) model by incorporating the nonlocal atomic interactions into the semi-discrete variational Peierls framework. The nonlocal kernel is simplified by limiting the nonlocal atomic interaction in the nearest neighbor region, and the nonlocal coefficient is directly computed from the dislocation core structure. Our model is capable of accurately predicting the displacement profile, and the Peierls stress, of planar-extended core dislocations in face-centered cubic structures. Our model could be extended to study more complicated planar-extended core dislocations, such as <110> {111} dislocations in Al-based and Ti-based intermetallic compounds. PMID:28252102

Permeability generation and resetting of tracers during metamorphic fluid flow: implications for advection-dispersion models

NASA Astrophysics Data System (ADS)

Cartwright, Ian

Advection-dispersion fluid flow models implicitly assume that the infiltrating fluid flows through an already fluid-saturated medium. However, whether rocks contain a fluid depends on their reaction history, and whether any initial fluid escapes. The behaviour of different rocks may be illustrated using hypothetical marble compositions. Marbles with diverse chemistries (e.g. calcite + dolomite + quartz) are relatively reactive, and will generally produce a fluid during heating. By contrast, marbles with more restricted chemistries (e.g. calcite + quartz or calcite-only) may not. If the rock is not fluid bearing when fluid infiltration commences, mineralogical reactions may produce a reaction-enhanced permeability in calcite + dolomite + quartz or calcite + quartz, but not in calcite-only marbles. The permeability production controls the pattern of mineralogical, isotopic, and geochemical resetting during fluid flow. Tracers retarded behind the mineralogical fronts will probably be reset as predicted by the advection-dispersion models; however, tracers that are expected to be reset ahead of the mineralogical fronts cannot progress beyond the permeability generating reaction. In the case of very unreactive lithologies (e.g. pure calcite marbles, cherts, and quartzites), the first reaction to affect the rocks may be a metasomatic one ahead of which there is little pervasive resetting of any tracer. Centimetre-scale layering may lead to the formation of self-perpetuating fluid channels in rocks that are not fluid saturated due to the juxtaposition of reactants. Such layered rocks may show patterns of mineralogical resetting that are not predicted by advection-dispersion models. Patterns of mineralogical and isotopic resetting in marbles from a number of terrains, for example: Chillagoe, Marulan South, Reynolds Range (Australia); Adirondack Mountains, Old Woman Mountains, Notch Peak (USA); and Stephen Cross Quarry (Canada) vary as predicted by these models.

New quasi-geostrophic flow estimations for the Earth's core

NASA Astrophysics Data System (ADS)

Pais, M. Alexandra

2014-05-01

Quasi-geostrophic (QG) flows have been reported in numerical dynamo studies that simulate Boussinesq convection of an electrical conducting fluid inside a rapidly rotating spherical shell. In these cases, the required condition for columnar convection seems to be that inertial waves should propagate much faster in the medium than Alfvén waves. QG models are particularly appealing for studies where Earth's liquid core flows are assessed from information contained in geomagnetic data obtained at and above the Earth's surface. Here, they make the whole difference between perceiving only the core surface expression of the geodynamo or else assessing the whole interior core flow. The QG approximation has now been used in different studies to invert geomagnetic field models, providing a different kinematic interpretation of the observed geomagnetic field secular variation (SV). Under this new perspective, a large eccentric jet flowing westward under the Atlantic Hemisphere and a cyclonic column under the Pacific were pointed out as interesting features of the flow. A large eccentric jet with similar characteristics has been explained in recent numerical geodynamo simulations in terms of dynamical coupling between the solid core, the liquid core and the mantle. Nonetheless, it requires an inner core crystallization on the eastern hemisphere, contrary to what has been proposed in recent dynamical models for the inner core. Some doubts remain, as we see, concerning the dynamics that can explain the radial outward flow in the eastern core hemisphere, actually seen in inverted core flow models. This and other puzzling features justify a new assessment of core flows, taking full advantage of the recent geomagnetic field model COV-OBS and of experience, accumulated over the years, on flow inversion. Assuming the QG approximation already eliminates a large part of non-uniqueness in the inversion. Some important non-uniqueness still remains, inherent to the physical model, given our present inability to distinguish the small length scales of the internal geomagnetic field when measuring it at the Earth's surface and above. This can be dealt with in the form of a parameterization error. We recalculated flow models for the whole 1840-2010 period of COV-OBS, using the covariance matrices provided by the authors and an iterative estimation of the parameterization error. Results are compared with previous estimations. We then apply standard tools of Empirical Orthogonal Functions/ Principal Components Analysis to sort out variability modes that, hopefully, can also be identified with dynamical modes.

Self-consistent core-pedestal transport simulations with neural network accelerated models

DOE PAGES

Meneghini, Orso; Smith, Sterling P.; Snyder, Philip B.; ...

2017-07-12

Fusion whole device modeling simulations require comprehensive models that are simultaneously physically accurate, fast, robust, and predictive. In this paper we describe the development of two neural-network (NN) based models as a means to perform a snon-linear multivariate regression of theory-based models for the core turbulent transport fluxes, and the pedestal structure. Specifically, we find that a NN-based approach can be used to consistently reproduce the results of the TGLF and EPED1 theory-based models over a broad range of plasma regimes, and with a computational speedup of several orders of magnitudes. These models are then integrated into a predictive workflowmore » that allows prediction with self-consistent core-pedestal coupling of the kinetic profiles within the last closed flux surface of the plasma. Finally, the NN paradigm is capable of breaking the speed-accuracy trade-off that is expected of traditional numerical physics models, and can provide the missing link towards self-consistent coupled core-pedestal whole device modeling simulations that are physically accurate and yet take only seconds to run.« less

Self-consistent core-pedestal transport simulations with neural network accelerated models

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

Meneghini, Orso; Smith, Sterling P.; Snyder, Philip B.

Fusion whole device modeling simulations require comprehensive models that are simultaneously physically accurate, fast, robust, and predictive. In this paper we describe the development of two neural-network (NN) based models as a means to perform a snon-linear multivariate regression of theory-based models for the core turbulent transport fluxes, and the pedestal structure. Specifically, we find that a NN-based approach can be used to consistently reproduce the results of the TGLF and EPED1 theory-based models over a broad range of plasma regimes, and with a computational speedup of several orders of magnitudes. These models are then integrated into a predictive workflowmore » that allows prediction with self-consistent core-pedestal coupling of the kinetic profiles within the last closed flux surface of the plasma. Finally, the NN paradigm is capable of breaking the speed-accuracy trade-off that is expected of traditional numerical physics models, and can provide the missing link towards self-consistent coupled core-pedestal whole device modeling simulations that are physically accurate and yet take only seconds to run.« less

Self-consistent core-pedestal transport simulations with neural network accelerated models

NASA Astrophysics Data System (ADS)

Meneghini, O.; Smith, S. P.; Snyder, P. B.; Staebler, G. M.; Candy, J.; Belli, E.; Lao, L.; Kostuk, M.; Luce, T.; Luda, T.; Park, J. M.; Poli, F.

2017-08-01

Fusion whole device modeling simulations require comprehensive models that are simultaneously physically accurate, fast, robust, and predictive. In this paper we describe the development of two neural-network (NN) based models as a means to perform a snon-linear multivariate regression of theory-based models for the core turbulent transport fluxes, and the pedestal structure. Specifically, we find that a NN-based approach can be used to consistently reproduce the results of the TGLF and EPED1 theory-based models over a broad range of plasma regimes, and with a computational speedup of several orders of magnitudes. These models are then integrated into a predictive workflow that allows prediction with self-consistent core-pedestal coupling of the kinetic profiles within the last closed flux surface of the plasma. The NN paradigm is capable of breaking the speed-accuracy trade-off that is expected of traditional numerical physics models, and can provide the missing link towards self-consistent coupled core-pedestal whole device modeling simulations that are physically accurate and yet take only seconds to run.

Steamworlds: Atmospheric Structure and Critical Mass of Planets Accreting Icy Pebbles

NASA Astrophysics Data System (ADS)

Chambers, John

2017-11-01

In the core accretion model, gas-giant planets first form a solid core, which then accretes gas from a protoplanetary disk when the core exceeds a critical mass. Here, we model the atmosphere of a core that grows by accreting ice-rich pebbles. The ice fraction of pebbles evaporates in warm regions of the atmosphere, saturating it with water vapor. Excess water precipitates to lower altitudes. Beneath an outer radiative region, the atmosphere is convective, following a moist adiabat in saturated regions due to water condensation and precipitation. Atmospheric mass, density, and temperature increase with core mass. For nominal model parameters, planets with core masses (ice + rock) between 0.08 and 0.16 Earth masses have surface temperatures between 273 and 647 K and form an ocean. In more massive planets, water exists as a supercritical convecting fluid mixed with gas from the disk. Typically, the core mass reaches a maximum (the critical mass) as a function of the total mass when the core is 2-5 Earth masses. The critical mass depends in a complicated way on pebble size, mass flux, and dust opacity due to the occasional appearance of multiple core-mass maxima. The core mass for an atmosphere of 50% hydrogen and helium may be a more robust indicator of the onset of gas accretion. This mass is typically 1-3 Earth masses for pebbles that are 50% ice by mass, increasing with opacity and pebble flux and decreasing with pebble ice/rock ratio.

The treatment of mixing in core helium-burning models - III. Suppressing core breathing pulses with a new constraint on overshoot

NASA Astrophysics Data System (ADS)

Constantino, Thomas; Campbell, Simon W.; Lattanzio, John C.

2017-12-01

Theoretical predictions for the core helium burning phase of stellar evolution are highly sensitive to the uncertain treatment of mixing at convective boundaries. In the last few years, interest in constraining the uncertain structure of their deep interiors has been renewed by insights from asteroseismology. Recently, Spruit proposed a limit for the rate of growth of helium-burning convective cores based on the higher buoyancy of material ingested from outside the convective core. In this paper we test the implications of such a limit for stellar models with a range of initial mass and metallicity. We find that the constraint on mixing beyond the Schwarzschild boundary has a significant effect on the evolution late in core helium burning, when core breathing pulses occur and the ingestion rate of helium is fastest. Ordinarily, core breathing pulses prolong the core helium burning lifetime to such an extent that models are at odds with observations of globular cluster populations. Across a wide range of initial stellar masses (0.83 ≤ M/M⊙ ≤ 5), applying the Spruit constraint reduces the core helium burning lifetime because core breathing pulses are either avoided or their number and severity reduced. The constraint suggested by Spruit therefore helps to resolve significant discrepancies between observations and theoretical predictions. Specifically, we find improved agreement for R2 (the observed ratio of asymptotic giant branch to horizontal branch stars in globular clusters), the luminosity difference between these two groups, and in asteroseismology, the mixed-mode period spacing detected in red clump stars in the Kepler field.

The Effect of Inner Core Translation on Outer Core Flow and the Geomagnetic Field

NASA Astrophysics Data System (ADS)

Mound, J. E.; Davies, C. J.; Silva, L.

2015-12-01

Bulk translation of the inner core has been proposed to explain quasi-hemispheric patterns of seismic heterogeneity. Such a translation would result in differential melting and freezing at the inner core boundary (ICB) and hence a heterogeneous pattern of buoyancy flux that could influence convection in the outer core. This heterogeneous flux at the ICB will tend to promote upwelling on the trailing hemisphere, where enhanced inner core growth results in increased latent heat and light element release, and inhibit upwelling on the leading hemisphere, where melting of the inner core occurs. If this difference in convective driving between the two hemispheres propagated across the thickness of the outer core, then flows near the surface of the core could be linked to the ICB heterogeneity and result in a hemispheric imbalance in the geomagnetic field. We have investigated the influence of such ICB boundary conditions on core flows and magnetic field structure in numerical geodynamo models and analysed the resultant hemispheric imbalance relative to the hemispheric structure in models constructed from observations of Earth's field. Inner core translation at rates consistent with estimates for the Earth produce a strong hemispheric bias in the field, one that should be readily apparent in averages of the field over tens of thousands of years. Current models of the field over the Holocene may be able to rule out the most extreme ICB forcing scenarios, but more information on the dynamic structure of the field over these time scales will be needed to adequately test all cases.

Rise in central west Greenland surface melt unprecedented over the last three centuries

NASA Astrophysics Data System (ADS)

Trusel, Luke; Das, Sarah; Osman, Matthew; Evans, Matthew; Smith, Ben; McConnell, Joe; Noël, Brice; van den Broeke, Michiel

2017-04-01

Greenland Ice Sheet surface melting has intensified and expanded over the last several decades and is now a leading component of ice sheet mass loss. Here, we constrain the multi-century temporal evolution of surface melt across central west Greenland by quantifying layers of refrozen melt within well-dated firn and ice cores collected in 2014 and 2015, as well as from a core collected in 2004. We find significant agreement among ice core, satellite, and regional climate model melt datasets over recent decades, confirming the fidelity of the ice core melt stratigraphy as a reliable record of past variability in the magnitude of surface melt. We also find a significant correlation between the melt records derived from our new 100-m GC-2015 core (2436 m.a.s.l.) and the older (2004) 150-m D5 core (2472 m.a.s.l.) located 50 km to the southeast. This agreement demonstrates the robustness of the ice core-derived melt histories and the potential for reconstructing regional melt evolution from a single site, despite local variability in melt percolation and refreeze processes. Our array of upper percolation zone cores reveals that although the overall frequency of melt at these sites has not increased, the intensification of melt over the last three decades is unprecedented within at least the last 365 years. Utilizing the regional climate model RACMO 2.3, we show that this melt intensification is a nonlinear response to warming summer air temperatures, thus underscoring the heightened sensitivity of this sector of Greenland to further climate warming. Finally, we examine spatial correlations between the ice core melt records and modeled melt fields across the ice sheet to assess the broader representation of each ice core record. This analysis reveals wide-ranging significant correlations, including to modeled meltwater runoff. As such, our ice core melt records may furthermore offer unique, observationally-constrained insights into past variability in ice sheet mass loss.

Use of geochemical mass balance modelling to evaluate the role of weathering in determining stream chemistry in five mid-Atlantic watersheds on different lithologies

USGS Publications Warehouse

O'Brien, Anne K.; Rice, Karen C.; Bricker, Owen P.; Kennedy, Margaret M.; Anderson, R. Todd

1997-01-01

The importance of mineral weathering was assessed and compared for five mid-Atlantic watersheds receiving similar atmospheric inputs but underlain by differing bedrock. Annual solute mass balances and volume-weighted mean solute concentrations were calculated for each watershed for each year of record. In addition, primary and secondary mineralogy were determined for each of the watersheds through analysis of soil samples and thin sections using petrographic, scanning electron microscope, electron microprobe and X-ray diffraction techniques. Mineralogical data were also compiled from the literature. These data were input to NETPATH, a geochemical program that calculates the masses of minerals that react with precipitation to produce stream water chemistry. The feasibilities of the weathering scenarios calculated by NETPATH were evaluated based on relative abundances and reactivities of minerals in the watershed. In watersheds underlain by reactive bedrocks, weathering reactions explained the stream base cation loading. In the acid-sensitive watersheds on unreactive bedrock, calculated weathering scenarios were not consistent with the abundance of reactive minerals in the underlying bedrock, and alternative sources of base cations are discussed.

Free terminal amines in DNA-binding peptides alter the product distribution from guanine radicals produced by single electron oxidation.

PubMed

Konigsfeld, Katie M; Lee, Melissa; Urata, Sarah M; Aguilera, Joe A; Milligan, Jamie R

2012-03-01

Electron deficient guanine radical species are major intermediates produced in DNA by the direct effect of ionizing irradiation. There is evidence that they react with amine groups in closely bound ligands to form covalent crosslinks. Crosslink formation is very poorly characterized in terms of quantitative rate and yield data. We sought to address this issue by using oligo-arginine ligands to model the close association of DNA and its binding proteins in chromatin. Guanine radicals were prepared in plasmid DNA by single electron oxidation. The product distribution derived from them was assayed by strand break formation after four different post-irradiation incubations. We compared the yields of DNA damage produced in the presence of four ligands in which neither, one, or both of the amino and carboxylate termini were blocked with amides. Free carboxylate groups were unreactive. Significantly higher yields of heat labile sites were observed when the amino terminus was unblocked. The rate of the reaction was characterized by diluting the unblocked amino group with its amide blocked derivative. These observations provide a means to develop quantitative estimates for the yields in which these labile sites are formed in chromatin by exposure to ionizing irradiation.

Crosslinking Amine-Modified Silica Aerogels with Epoxies: Mechanically Strong Lightweight Porous Materials

NASA Technical Reports Server (NTRS)

Meador, Mary Ann B.; Fabrizio, Eve F.; Ilhan, Faysal; Dass, Amala; Zhang, Guo-Hui; Vassilaras, Plousia; Johnston, J. Chris; Leventis, Nicholas

2005-01-01

The mesoporous surfaces of TMOS-derived silica aerogels have been modified with amines by co-polymerization of TMOS with APTES. The amine sites have become anchors for crosslinking the nanoparticles of the skeletal backbone of the aerogel by attachment of di-, tri and tetra-functional epoxies. The resulting conformal coatings increase the density of the native aerogels by a factor of 2-3 but the strength of the resulting materials may increase by more than two orders of magnitude. Processing variables such as amount of APTES used to make the gels, the epoxy type and concentration used for crosslinking, as well as the crosslinking temperature and time were varied according to a multivariable design-of-experiments (DOE) model. It was found that while elastic modulus follows a similar trend with density, maximum strength is attained neither at the maximum density nor at the highest concentration of -NH2 groups, suggesting surface saturation effects. Aerogels crosslinked with the tri-functional epoxide always show improved strength compared with aerogels crosslinked with the other two epoxides under identical conditions. Solid C-13 NMR studies show residual unreacted epoxides, which condense with ne another by heating crosslinked aerogels at 150 C.

The aqueous phase of Alzheimer's disease brain contains assemblies built from ∼4 and ∼7 kDa Aβ species.

PubMed

Mc Donald, Jessica M; O'Malley, Tiernan T; Liu, Wen; Mably, Alexandra J; Brinkmalm, Gunnar; Portelius, Erik; Wittbold, William M; Frosch, Matthew P; Walsh, Dominic M

2015-11-01

Much knowledge about amyloid β (Aβ) aggregation and toxicity has been acquired using synthetic peptides and mouse models, whereas less is known about soluble Aβ in human brain. We analyzed aqueous extracts from multiple AD brains using an array of techniques. Brains can contain at least four different Aβ assembly forms including: (i) monomers, (ii) a ∼7 kDa Aβ species, and larger species (iii) from ∼30-150 kDa, and (iv) >160 kDa. High molecular weight species are by far the most prevalent and appear to be built from ∼7 kDa Aβ species. The ∼7 kDa Aβ species resist denaturation by chaotropic agents and have a higher Aβ42/Aβ40 ratio than monomers, and are unreactive with antibodies to Asp1 of Ab or APP residues N-terminal of Asp1. Further analysis of brain-derived ∼7 kDa Aβ species, the mechanism by which they assemble and the structures they form should reveal therapeutic and diagnostic opportunities. Copyright © 2015 The Alzheimer's Association. Published by Elsevier Inc. All rights reserved.

Phosphorus forms and extractability in dairy manure: a case study for Wisconsin on-farm anaerobic digesters.

PubMed

Güngör, Kerem; Karthikeyan, K G

2008-01-01

The effect of anaerobic digestion on phosphorus (P) forms and water P extractability was investigated using dairy manure samples from six full-scale on-farm anaerobic digesters in Wisconsin, USA. On an average, total dissolved P (TDP) constituted 12 +/- 4% of total P (TP) in the influent to the anaerobic digesters. Only 7 +/- 2% of the effluent was in a dissolved form. Dissolved unreactive P (DUP), comprising polyphosphates and organic P, dominated the dissolved P component in both the influent and effluent. In most cases, it appeared that the fraction of DUP mineralized during anaerobic digestion became subsequently associated with particulate-bound solids. Geochemical equilibrium modeling with Mineql+ indicated that dicalcium phosphate dihydrate, dicalcium phosphate anhydrous, octacalcium phosphate, newberyite, and struvite were the probable solid phases in both the digester influent and effluent samples. The water-extractable P (WEP) fraction in undigested manure ranged from 45% to 70% of TP, which reduced substantially after anaerobic digestion to 25% to 45% of TP. Anaerobic digestion of dairy manure appears capable of reducing the fraction of P that is immediately available by increasing the stability of the solid phases controlling P solubility.

Antimicrobial properties of nano-silver: a cautionary approach to ionic interference.

PubMed

Sheehy, K; Casey, A; Murphy, A; Chambers, G

2015-04-01

Metallic nanoparticles such as nano-silver have found many applications as alternative antimicrobials in recent years. However methods for determining their proposed antimicrobial activity have received little attention to date. The disk diffusion assay is commonly used as a demonstration of antimicrobial properties and is a regular feature in synthetic nanoparticle papers. The aim of this study was to assess its effectiveness in demonstrating the "nanoparticle specific" antimicrobial properties in the absence of ionic contributions from unreacted reducing agents and or impurities. The disk diffusion assay was carried out on a range of silver nanoparticles, both in-house synthesised and commercially available, using Escherichia coli ATCC 25922 as a model organism. Capped and purified nanoparticles show no antimicrobial activity despite claims to the contrary for this assay. Results will be discussed in terms of the need for researchers without a background in microbiology to understand the mechanism of antimicrobial action before choosing an assay. Also discussed is the importance understanding the physiochemical characteristics of when interpreting results. Finally the relevance of the results in terms establishing protocols for method development for 'nanoparticle specific' antimicrobial properties will also be considered. Copyright © 2014 Elsevier Inc. All rights reserved.

A Tissue Propagation Model for Validating Close-Proximity Biomedical Radiometer Measurements

NASA Technical Reports Server (NTRS)

Bonds, Q.; Herzig, P.; Weller, T.

2016-01-01

The propagation of thermally-generated electromagnetic emissions through stratified human tissue is studied herein using a non-coherent mathematical model. The model is developed to complement subsurface body temperature measurements performed using a close proximity microwave radiometer. The model takes into account losses and reflections as thermal emissions propagate through the body, before being emitted at the skin surface. The derivation is presented in four stages and applied to the human core phantom, a physical representation of a stomach volume of skin, muscle, and blood-fatty tissue. A drop in core body temperature is simulated via the human core phantom and the response of the propagation model is correlated to the radiometric measurement. The results are comparable, with differences on the order of 1.5 - 3%. Hence the plausibility of core body temperature extraction via close proximity radiometry is demonstrated, given that the electromagnetic characteristics of the stratified tissue layers are known.

The Role of Body Crystallization in Asteroidal Cores

NASA Astrophysics Data System (ADS)

Wasson, J. T.

1993-07-01

Large fractionations (factors of 2000-6000) in Ir/Ni and other ratios demonstrate that the magmatic groups of iron meteorites formed by fractional crystallization, and thus that the residual liquid remained well stirred during core crystallization. Past models have relied on solidification at the base or the top of the core, but body crystallization offers an attractive alternative. The simplest of the earlier models involved convective maxing induced by the liberation of heat and light elements (especially S) during upward crystallization from the center of the core. Other models involving downward crystallization from the core-mantle interface are based on the fact that temperatures at this location are slightly lower than those at the center; no whole-core stirring mechanism is provided by these models. Haack and Scott recently published a variant of the downward crystallization model involving the growth of giant (kilometer-scale) dendrites. Because crystallization creates a boundary layer enriched in S that does not participate in the convection, these models require several K of supercooling to induce crystallization (this undercooling is much greater than the temperature difference between the center of the core and the core-mantle interface). Buoyant forces will occasionally remove droplets of the basal boundary fluid; thus it was thinner and its degree of undercooling less than in that at the ceiling of the magma chamber. Homogeneous nucleation of metals is difficult to achieve; generally 200-300 K of undercooling is required, much more than could possibly occur in an asteroidal core. Crystals could, however, nucleate in the magma body on chromite, probably the first liquidus phase (A. Kracher, personal communication, notes that this is required to explain why Cr behaved like a compatible element despite having a solid/liquid D < 1). In addition, some tiny, submillimeter dendrites that formed at the top of the core must have pinched off and fallen into the magma. Such seeds settle as a result of buoyant forces (thus stirring the magma) and, as a result, achieve very thin boundary layers and require low degrees of undercooling in order to crystallize. The rate of core crystallization is limited by the rate of heat transport across the core-mantle interface. If sufficient nuclei are available at different sites, the bulk of the crystallization occurs where undercooling is least. It is possible that a larger fraction of the total crystallization occurred in the body of the magma than at its base or ceiling.

ESTIMATING THE RADIUS OF THE CONVECTIVE CORE OF MAIN-SEQUENCE STARS FROM OBSERVED OSCILLATION FREQUENCIES

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

Yang, Wuming, E-mail: yangwuming@bnu.edu.cn, E-mail: yangwuming@ynao.ac.cn

The determination of the size of the convective core of main-sequence stars is usually dependent on the construction of models of stars. Here we introduce a method to estimate the radius of the convective core of main-sequence stars with masses between about 1.1 and 1.5 M {sub ⊙} from observed frequencies of low-degree p -modes. A formula is proposed to achieve the estimation. The values of the radius of the convective core of four known stars are successfully estimated by the formula. The radius of the convective core of KIC 9812850 estimated by the formula is 0.140 ± 0.028 Rmore » {sub ⊙}. In order to confirm this prediction, a grid of evolutionary models was computed. The value of the convective-core radius of the best-fit model of KIC 9812850 is 0.149 R {sub ⊙}, which is in good agreement with that estimated by the formula from observed frequencies. The formula aids in understanding the interior structure of stars directly from observed frequencies. The understanding is not dependent on the construction of models.« less

Geodynamo Modeling of Core-Mantle Interactions

NASA Technical Reports Server (NTRS)

Kuang, Wei-Jia; Chao, Benjamin F.; Smith, David E. (Technical Monitor)

2001-01-01

Angular momentum exchange between the Earth's mantle and core influences the Earth's rotation on time scales of decades and longer, in particular in the length of day (LOD) which have been measured with progressively increasing accuracy for the last two centuries. There are four possible coupling mechanisms for transferring the axial angular momentum across the core-mantle boundary (CMB): viscous, magnetic, topography, and gravitational torques. Here we use our scalable, modularized, fully dynamic geodynamo model for the core to assess the importance of these torques. This numerical model, as an extension of the Kuang-Bloxham model that has successfully simulated the generation of the Earth's magnetic field, is used to obtain numerical results in various physical conditions in terms of specific parameterization consistent with the dynamical processes in the fluid outer core. The results show that depending on the electrical conductivity of the lower mantle and the amplitude of the boundary topography at CMB, both magnetic and topographic couplings can contribute significantly to the angular momentum exchange. This implies that the core-mantle interactions are far more complex than has been assumed and that there is unlikely a single dominant coupling mechanism for the observed decadal LOD variation.

VERAIn

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

Simunovic, Srdjan

2015-02-16

CASL's modeling and simulation technology, the Virtual Environment for Reactor Applications (VERA), incorporates coupled physics and science-based models, state-of-the-art numerical methods, modern computational science, integrated uncertainty quantification (UQ) and validation against data from operating pressurized water reactors (PWRs), single-effect experiments, and integral tests. The computational simulation component of VERA is the VERA Core Simulator (VERA-CS). The core simulator is the specific collection of multi-physics computer codes used to model and deplete a LWR core over multiple cycles. The core simulator has a single common input file that drives all of the different physics codes. The parser code, VERAIn, converts VERAmore » Input into an XML file that is used as input to different VERA codes.« less

Constraining the Dust Opacity Law in Three Small and Isolated Molecular Clouds

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

Webb, K. A.; Thanjavur, K.; Di Francesco, J.

Density profiles of isolated cores derived from thermal dust continuum emission rely on models of dust properties, such as mass opacity, that are poorly constrained. With complementary measures from near-infrared extinction maps, we can assess the reliability of commonly used dust models. In this work, we compare Herschel -derived maps of the optical depth with equivalent maps derived from CFHT WIRCAM near-infrared observations for three isolated cores: CB 68, L 429, and L 1552. We assess the dust opacities provided from four models: OH1a, OH5a, Orm1, and Orm4. Although the consistency of the models differs between the three sources, themore » results suggest that the optical properties of dust in the envelopes of the cores are best described by either silicate and bare graphite grains (e.g., Orm1) or carbonaceous grains with some coagulation and either thin or no ice mantles (e.g., OH5a). None of the models, however, individually produced the most consistent optical depth maps for every source. The results suggest that either the dust in the cores is not well-described by any one dust property model, the application of the dust models cannot be extended beyond the very center of the cores, or more complex SED fitting functions are necessary.« less

Investigating the source of anomalous PKP travel-times on south-Sandwich to Alaska paths

NASA Astrophysics Data System (ADS)

Frost, D. A.; Romanowicz, B. A.

2017-12-01

Inner core anisotropy was proposed thirty years ago to explain differences in travel times of inner core phases (PKIKP) on polar and equatorial paths (Morelli et al., 1986). Over time, models of inner core anisotropy have become very complex, with evidence for depth dependence, hemispherical variations, and other localised features. Some models propose the strength of anisotropy to be in excess of 4% in the western hemisphere of the inner core. This is difficult to reconcile with predictions from mineral physics and dynamical models of inner core growth. The strong anisotropy is confined to anomalous paths between earthquakes in the south Sandwich Islands and stations in Alaska. In contrast, the strength of inner core anisotropy obtained from measurements of PKPPKP travel times on polar paths does not exceed 1-2% (Bréger et al., 2000; Frost and Romanowicz, 2017). We re-examine the trends of PKIKP travel times on polar paths, in order to reconcile the different measurements and to determine whether discrepancies can be explained by structure in the mantle, the outer core, or localized strong anisotropy in the inner core. For this, we combine existing and new measurements, taking advantage of recent deployments of broadband arrays in Alaska and Antarctica.

Comparison of biomechanical function at ideal and varied surgical placement for two lumbar artificial disc implant designs: mobile-core versus fixed-core.

PubMed

Moumene, Missoum; Geisler, Fred H

2007-08-01

Finite element model. To estimate the effect of lumbar mobile-core and fixed-core artificial disc design and placement on the loading of the facet joints, and stresses on the polyethylene core. Although both mobile-core and fixed-core lumbar artificial disc designs have been used clinically, the effect of their design and the effect of placement within the disc space on the structural element loading, and in particular the facets and the implant itself, have not been investigated. A 3D nonlinear finite element model of an intact ligamentous L4-L5 motion segment was developed and validated in all 6 df based on previous experiments conducted on human cadavers. Facet loading of a mobile-core TDR and a fixed-core TDR were estimated with 4 different prosthesis placements for 3 different ranges of motion. Placing the mobile-core TDR anywhere within the disc space reduced facet loading by more than 50%, while the fixed-core TDR increased facet loading by more than 10% when compared with the intact disc in axial rotation. For central (ideal) placement, the mobile- and fixed-core implants were subjected to compressive stresses on the order of 3 MPa and 24 MPa, respectively. The mobile-core stresses were not affected by implant placement, while the fixed-core stresses increased by up to 40%. A mobile-core artificial disc design is less sensitive to placement, and unloads the facet joints, compared with a fixed-core design. The decreased core stress may result in a reduced potential for wear in a mobile-core prosthesis compared with a fixed-core prosthesis, which may increase the functional longevity of the device.

Density Anomalies in the Mantle and the Gravitational Core-Mantle Interaction

NASA Technical Reports Server (NTRS)

Kuang, Weijia; Liu, Lanbo

2003-01-01

Seismic studies suggest that the bulk of the mantle is heterogeneous, with density variations in depth as well as in horizontal directions (latitude and longitude). This density variation produces a three- dimensional gravity field throughout the Earth. On the other hand, the core density also varies in both time and space, due to convective core flow. Consequently, the fluid outer core and the solid mantle interact gravitationally due to the mass anomalies in both regions. This gravitational core-mantle interaction could play a significant role in exchange of angular momentum between the core and the mantle, and thus the change in Earth's rotation on time scales of decades and longer. Aiming at estimating the significance of the gravitational core-mantle interaction on Earth's rotation variation, we introduce in our MoSST core dynamics model a heterogeneous mantle, with a density distribution derived from seismic results. In this model, the core convection is driven by the buoyancy forces. And the density variation is determined dynamically with the convection. Numerical simulation is carried out with different parameter values, intending to extrapolate numerical results for geophysical implications.

Effect of Vortex Circulation on Injectant from a Single Film-Cooling Hole and a Row of Film-Cooling Holes in a Turbulent Boundary Layer. Part 1. Injection Beneath the Vortex Downwash

DTIC Science & Technology

1989-06-01

coefficients vortex circulation, symbols used in vorticity plots representing circulation values derived from different vortex core models injection...derived from different vortex core models dimensionless core size parameter: t wice the a verage core radius divided by t h e i n jection hole...Wall Heating, xjd=109.2, m=0.5, Single Injection Hole Vortex w, Temp. Difference Range (.5- 2.5) degree s 91. Local Temperature Distribution

An MPI-based MoSST core dynamics model

NASA Astrophysics Data System (ADS)

Jiang, Weiyuan; Kuang, Weijia

2008-09-01

Distributed systems are among the main cost-effective and expandable platforms for high-end scientific computing. Therefore scalable numerical models are important for effective use of such systems. In this paper, we present an MPI-based numerical core dynamics model for simulation of geodynamo and planetary dynamos, and for simulation of core-mantle interactions. The model is developed based on MPI libraries. Two algorithms are used for node-node communication: a "master-slave" architecture and a "divide-and-conquer" architecture. The former is easy to implement but not scalable in communication. The latter is scalable in both computation and communication. The model scalability is tested on Linux PC clusters with up to 128 nodes. This model is also benchmarked with a published numerical dynamo model solution.

α Centauri A as a potential stellar model calibrator: establishing the nature of its core

NASA Astrophysics Data System (ADS)

Nsamba, B.; Monteiro, M. J. P. F. G.; Campante, T. L.; Cunha, M. S.; Sousa, S. G.

2018-05-01

Understanding the physical process responsible for the transport of energy in the core of α Centauri A is of the utmost importance if this star is to be used in the calibration of stellar model physics. Adoption of different parallax measurements available in the literature results in differences in the interferometric radius constraints used in stellar modelling. Further, this is at the origin of the different dynamical mass measurements reported for this star. With the goal of reproducing the revised dynamical mass derived by Pourbaix & Boffin, we modelled the star using two stellar grids varying in the adopted nuclear reaction rates. Asteroseismic and spectroscopic observables were complemented with different interferometric radius constraints during the optimisation procedure. Our findings show that best-fit models reproducing the revised dynamical mass favour the existence of a convective core (≳ 70% of best-fit models), a result that is robust against changes to the model physics. If this mass is accurate, then α Centauri A may be used to calibrate stellar model parameters in the presence of a convective core.

Modeling analysis of pulsed magnetization process of magnetic core based on inverse Jiles-Atherton model

NASA Astrophysics Data System (ADS)

Liu, Yi; Zhang, He; Liu, Siwei; Lin, Fuchang

2018-05-01

The J-A (Jiles-Atherton) model is widely used to describe the magnetization characteristics of magnetic cores in a low-frequency alternating field. However, this model is deficient in the quantitative analysis of the eddy current loss and residual loss in a high-frequency magnetic field. Based on the decomposition of magnetization intensity, an inverse J-A model is established which uses magnetic flux density B as an input variable. Static and dynamic core losses under high frequency excitation are separated based on the inverse J-A model. Optimized parameters of the inverse J-A model are obtained based on particle swarm optimization. The platform for the pulsed magnetization characteristic test is designed and constructed. The hysteresis curves of ferrite and Fe-based nanocrystalline cores at high magnetization rates are measured. The simulated and measured hysteresis curves are presented and compared. It is found that the inverse J-A model can be used to describe the magnetization characteristics at high magnetization rates and to separate the static loss and dynamic loss accurately.

Weather Research and Forecasting Model Sensitivity Comparisons for Warm Season Convective Initiation

NASA Technical Reports Server (NTRS)

Watson, Leela R.

2007-01-01

This report describes the work done by the Applied Meteorology Unit (AMU) in assessing the success of different model configurations in predicting warm season convection over East-Central Florida. The Weather Research and Forecasting Environmental Modeling System (WRF EMS) software allows users to choose among two dynamical cores - the Advanced Research WRF (ARW) and the Non-hydrostatic Mesoscale Model (NMM). There are also data assimilation analysis packages available for the initialization of the WRF model - the Local Analysis and Prediction System (LAPS) and the Advanced Regional Prediction System (ARPS) Data Analysis System (ADAS). Besides model core and initialization options, the WRF model can be run with one- or two-way nesting. Having a series of initialization options and WRF cores, as well as many options within each core, creates challenges for local forecasters, such as determining which configuration options are best to address specific forecast concerns. This project assessed three different model intializations available to determine which configuration best predicts warm season convective initiation in East-Central Florida. The project also examined the use of one- and two-way nesting in predicting warm season convection.

Results of the Simulation of the HTR-Proteus Core 4.2 Using PEBBED-COMBINE: FY10 Report

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

Hans Gougar

2010-07-01

ABSTRACT The Idaho National Laboratory’s deterministic neutronics analysis codes and methods were applied to the computation of the core multiplication factor of the HTR-Proteus pebble bed reactor critical facility. This report is a follow-on to INL/EXT-09-16620 in which the same calculation was performed but using earlier versions of the codes and less developed methods. In that report, results indicated that the cross sections generated using COMBINE-7.0 did not yield satisfactory estimates of keff. It was concluded in the report that the modeling of control rods was not satisfactory. In the past year, improvements to the homogenization capability in COMBINE havemore » enabled the explicit modeling of TRIS particles, pebbles, and heterogeneous core zones including control rod regions using a new multi-scale version of COMBINE in which the 1-dimensional discrete ordinate transport code ANISN has been integrated. The new COMBINE is shown to yield benchmark quality results for pebble unit cell models, the first step in preparing few-group diffusion parameters for core simulations. In this report, the full critical core is modeled once again but with cross sections generated using the capabilities and physics of the improved COMBINE code. The new PEBBED-COMBINE model enables the exact modeling of the pebbles and control rod region along with better approximation to structures in the reflector. Initial results for the core multiplication factor indicate significant improvement in the INL’s tools for modeling the neutronic properties of a pebble bed reactor. Errors on the order of 1.6-2.5% in keff are obtained; a significant improvement over the 5-6% error observed in the earlier This is acceptable for a code system and model in the early stages of development but still too high for a production code. Analysis of a simpler core model indicates an over-prediction of the flux in the low end of the thermal spectrum. Causes of this discrepancy are under investigation. New homogenization techniques and assumptions were used in this analysis and as such, they require further confirmation and validation. Further refinement and review of the complex Proteus core model are likely to reduce the errors even further.« less

Developing a theory of the strategic core of teams: a role composition model of team performance.

PubMed

Humphrey, Stephen E; Morgeson, Frederick P; Mannor, Michael J

2009-01-01

Although numerous models of team performance have been articulated over the past 20 years, these models have primarily focused on the individual attribute approach to team composition. The authors utilized a role composition approach, which investigates how the characteristics of a set of role holders impact team effectiveness, to develop a theory of the strategic core of teams. Their theory suggests that certain team roles are most important for team performance and that the characteristics of the role holders in the "core" of the team are more important for overall team performance. This theory was tested in 778 teams drawn from 29 years of major league baseball (1974'-2002). Results demonstrate that although high levels of experience and job-related skill are important predictors of team performance, the relationships between these constructs and team performance are significantly stronger when the characteristics are possessed by core role holders (as opposed to non-core role holders). Further, teams that invest more of their financial resources in these core roles are able to leverage such investments into significantly improved performance. These results have implications for team composition models, as they suggest a new method for considering individual contributions to a team's success that shifts the focus onto core roles. (PsycINFO Database Record (c) 2009 APA, all rights reserved).

Theory of Auger core-valence-valence processes in simple metals. II. Dynamical and surface effects on Auger line shapes

NASA Astrophysics Data System (ADS)

Almbladh, C.-O.; Morales, A. L.

1989-02-01

Auger CVV spectra of simple metals are generally believed to be well described by one-electron-like theories in the bulk which account for matrix elements and, in some cases, also static core-hole screening effects. We present here detailed calculations on Li, Be, Na, Mg, and Al using self-consistent bulk wave functions and proper matrix elements. The resulting spectra differ markedly from experiment and peak at too low energies. To explain this discrepancy we investigate effects of the surface and dynamical effects of the sudden disappearance of the core hole in the final state. To study core-hole effects we solve Mahan-Nozières-De Dominicis (MND) model numerically over the entire band. The core-hole potential and other parameters in the MND model are determined by self-consistent calculations of the core-hole impurity. The results are compared with simpler approximations based on the final-state rule due to von Barth and Grossmann. To study surface and mean-free-path effects we perform slab calculations for Al but use a simpler infinite-barrier model in the remaining cases. The model reproduces the slab spectra for Al with very good accuracy. In all cases investigated either the effects of the surface or the effects of the core hole give important modifications and a much improved agreement with experiment.

Seismic Wave Velocity in Earth's Shallow Core

NASA Astrophysics Data System (ADS)

Alexandrakis, C.; Eaton, D. W.

2008-12-01

Studies of the outer core indicate that it is composed of liquid Fe and Ni alloyed with a ~10% fraction of light elements such as O, S or Si. Recently, unusual features, such as sediment accumulation, immiscible fluid layers or stagnant convection, have been predicted in the shallow core region. Secular cooling and compositional buoyancy drive vigorous convection that sustains the geodynamo, although critical details of light-element composition and thermal regime remain uncertain. Seismic velocity models can provide important constraints on the light element composition, however global reference models, such as Preliminary Reference Earth Model (PREM), IASP91 and AK135 vary significantly in the 200 km below the core-mantle boundary. Past studies of the outermost core velocity structure have been hampered by traveltime uncertainties due to lowermost mantle heterogeneities. The recently published Empirical Transfer Function (ETF) method has been shown to reduce the uncertainty using a waveform stacking approach to improve global observations of SmKS teleseismic waves. Here, we apply the ETF method to achieve a precise top-of-core velocity measurement of 8.05 ± 0.03 km/s. This new model accords well with PREM. Since PREM is based on the adiabatic form of the Adams-Williamson equation, it assumes a well mixed (i.e. homogeneous) composition. This result suggests a lack of heterogeneity in the outermost core due to layering or stagnant convection.

Geomagnetic inverse problem and data assimilation: a progress report

NASA Astrophysics Data System (ADS)

Aubert, Julien; Fournier, Alexandre

2013-04-01

In this presentation I will present two studies recently undertaken by our group in an effort to bring the benefits of data assimilation to the study of Earth's magnetic field and the dynamics of its liquid iron core, where the geodynamo operates. In a first part I will focus on the geomagnetic inverse problem, which attempts to recover the fluid flow in the core from the temporal variation of the magnetic field (known as the secular variation). Geomagnetic data can be downward continued from the surface of the Earth down to the core-mantle boundary, but not further below, since the core is an electrical conductor. Historically, solutions to the geomagnetic inverse problem in such a sparsely observed system were thus found only for flow immediately below the core mantle boundary. We have recently shown that combining a numerical model of the geodynamo together with magnetic observations, through the use of Kalman filtering, now allows to present solutions for flow throughout the core. In a second part, I will present synthetic tests of sequential geomagnetic data assimilation aiming at evaluating the range at which the future of the geodynamo can be predicted, and our corresponding prospects to refine the current geomagnetic predictions. Fournier, Aubert, Thébault: Inference on core surface flow from observations and 3-D dynamo modelling, Geophys. J. Int. 186, 118-136, 2011, doi: 10.1111/j.1365-246X.2011.05037.x Aubert, Fournier: Inferring internal properties of Earth's core dynamics and their evolution from surface observations and a numerical geodynamo model, Nonlinear Proc. Geoph. 18, 657-674, 2011, doi:10.5194/npg-18-657-2011 Aubert: Flow throughout the Earth's core inverted from geomagnetic observations and numerical dynamo models, Geophys. J. Int., 2012, doi: 10.1093/gji/ggs051

Core excitations across the neutron shell gap in 207Tl

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

Wilson, E.; Podolyák, Zs.; Grawe, H.

2015-05-05

The single closed-neutron-shell, one proton–hole nucleus 207Tl was populated in deep-inelastic collisions of a 208Pb beam with a 208Pb target. The yrast and near-yrast level scheme has been established up to high excitation energy, comprising an octupole phonon state and a large number of core excited states. Based on shell-model calculations, all observed single core excitations were established to arise from the breaking of the N=126 neutron core. While the shell-model calculations correctly predict the ordering of these states, their energies are compressed at high spins. It is concluded that this compression is an intrinsic feature of shell-model calculations usingmore » two-body matrix elements developed for the description of two-body states, and that multiple core excitations need to be considered in order to accurately calculate the energy spacings of the predominantly three-quasiparticle states.« less

Virtual optical network mapping and core allocation in elastic optical networks using multi-core fibers

NASA Astrophysics Data System (ADS)

Xuan, Hejun; Wang, Yuping; Xu, Zhanqi; Hao, Shanshan; Wang, Xiaoli

2017-11-01

Virtualization technology can greatly improve the efficiency of the networks by allowing the virtual optical networks to share the resources of the physical networks. However, it will face some challenges, such as finding the efficient strategies for virtual nodes mapping, virtual links mapping and spectrum assignment. It is even more complex and challenging when the physical elastic optical networks using multi-core fibers. To tackle these challenges, we establish a constrained optimization model to determine the optimal schemes of optical network mapping, core allocation and spectrum assignment. To solve the model efficiently, tailor-made encoding scheme, crossover and mutation operators are designed. Based on these, an efficient genetic algorithm is proposed to obtain the optimal schemes of the virtual nodes mapping, virtual links mapping, core allocation. The simulation experiments are conducted on three widely used networks, and the experimental results show the effectiveness of the proposed model and algorithm.

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

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

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

2016-03-07

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

Constraints on the symmetry energy from neutron star observations

NASA Astrophysics Data System (ADS)

Newton, W. G.; Gearheart, M.; Wen, De-Hua; Li, Bao-An

2013-03-01

The modeling of many neutron star observables incorporates the microphysics of both the stellar crust and core, which is tied intimately to the properties of the nuclear matter equation of state (EoS). We explore the predictions of such models over the range of experimentally constrained nuclear matter parameters, focusing on the slope of the symmetry energy at nuclear saturation density L. We use a consistent model of the composition and EoS of neutron star crust and core matter to model the binding energy of pulsar B of the double pulsar system J0737-3039, the frequencies of torsional oscillations of the neutron star crust and the instability region for r-modes in the neutron star core damped by electron-electron viscosity at the crust-core interface. By confronting these models with observations, we illustrate the potential of astrophysical observables to offer constraints on poorly known nuclear matter parameters complementary to terrestrial experiments, and demonstrate that our models consistently predict L < 70 MeV.

Evaluation of shrinking core model in leaching process of Pomalaa nickel laterite using citric acid as leachant at atmospheric conditions

NASA Astrophysics Data System (ADS)

Wanta, K. C.; Perdana, I.; Petrus, H. T. B. M.

2016-11-01

Most of kinetics studies related to leaching process used shrinking core model to describe physical phenomena of the process. Generally, the model was developed in connection with transport and/or reaction of reactant components. In this study, commonly used internal diffusion controlled shrinking core model was evaluated for leaching process of Pomalaa nickel laterite using citric acid as leachant. Particle size was varied at 60-70, 100-120, -200 meshes, while the operating temperature was kept constant at 358 K, citric acid concentration at 0.1 M, pulp density at 20% w/v and the leaching time was for 120 minutes. Simulation results showed that the shrinking core model was inadequate to closely approach the experimental data. Meanwhile, the experimental data indicated that the leaching process was determined by the mobility of product molecules in the ash layer pores. In case of leaching resulting large product molecules, a mathematical model involving steps of reaction and product diffusion might be appropriate to develop.

Structural response of 1/20-scale models of the Clinch River Breeder Reactor to a simulated hypothetical core-disruptive accident

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

Romander, C M; Cagliostro, D J

Five experiments were performed to help evaluate the structural integrity of the reactor vessel and head design and to verify code predictions. In the first experiment (SM 1), a detailed model of the head was loaded statically to determine its stiffness. In the remaining four experiments (SM 2 to SM 5), models of the vessel and head were loaded dynamically under a simulated 661 MW-s hypothetical core disruptive accident (HCDA). Models SM 2 to SM 4, each of increasing complexity, systematically showed the effects of upper internals structures, a thermal liner, core support platform, and torospherical bottom on vessel response.more » Model SM 5, identical to SM 4 but more heavily instrumented, demonstrated experimental reproducibility and provided more comprehensive data. The models consisted of a Ni 200 vessel and core barrel, a head with shielding and simulated component masses, and an upper internals structure (UIS).« less

Iron snow in the Martian Core?

NASA Astrophysics Data System (ADS)

Davies, C. J.; Pommier, A.

2017-12-01

The decline of Mars' global magnetic field some 3.8-4.1 billion years ago is thought to reflect the demise of the dynamo that operated in its liquid core. The termination of the dynamo is intimately tied to the thermochemical evolution of the core-mantle system and therefore to the present-day physical state of the Martian core. The standard model predicts that the Martian dynamo failed because thermal convection stopped and the core remained entirely liquid until the present. Here we consider an alternative hypothesis that the Martian core crystallized from the top down in the so-called iron snow regime. We derive energy-entropy equations describing the long-timescale thermal and magnetic evolution of the core that incorporate the self-consistent formation of a snow layer that freezes out pure iron and is assumed to be on the liquidus; the iron sinks and remelts in the deeper core, acting as a possible source for magnetic field generation. Compositions are in the FeS system, with a sulfur content up to 16 wt%. The values of the different parameters (core radius, density and CMB pressure) are varied within bounds set by recent internal structure models that satisfy existing geodetic constraints (planetary mass, moment of inertia and tidal Love number). The melting curve and adiabat, CMB heat flow and thermal conductivity were also varied, based on previous experimental and numerical works. We observe that the formation of snow zones occurs for a wide range of interior and thermal structure properties and depends critically on the initial sulfur concentration. Gravitational energy release and latent heat effects arising during growth of the snow zone do not generate sufficient entropy to restart the dynamo unless the snow zone occupies a significant fraction of the core. Our results suggest that snow zones can be 1.5-2 Gyrs old, though thermal stratification of the uppermost core, not included in our model, likely delays onset. Models that match the available magnetic and geodetic constraints have an initial S concentration of about 10wt.% and snow zones that occupy approximately the top 100 km of the present-day Martian core.

Hemispheric variation of the depth dependent attenuation and velocity structures of the top half of the inner core determined from global seismic array data

NASA Astrophysics Data System (ADS)

Iritani, R.; Takeuchi, N.; Kawakatsu, H.

2012-12-01

Previous studies suggested the existence of the hemispheric heterogeneities in the top 100 km of the inner core [eg. Wen and Niu, 2002]. Although depth profiles of the attenuation and velocity of the inner core provide important clues to constrain the physical mechanism and the growing process of the inner core, they have not yet been well constrained primarily due to difficulties in analyzing core phases with phase overlapping. We have previously developed a waveform inversion method to be applicable to such complex waveforms [Iritani et al., 2010, GRL] and revealed the depth profile of the attenuation beneath North America [Iritani et al., 2011, AGU]. In this study, we applied our method to a large number of broadband seismic arrays to compare depth profiles of the top half of the inner core in various regions. The data set consists of about 8,500 traces from Japanese F-net, NECESSArray (a large temporary broadband seismic array installed in northeastern China), permanent European stations, USArray and PASSCAL arrays deployed in a number of places in the world. Regions of the inner core sampled by core phases are beneath eastern Pacific, North America and Africa in the western hemisphere (WH), and beneath eastern and central Asia in the eastern hemisphere (EH). The obtained attenuation models for the WH show the gradually increase from ICB and have a peak around a 200 km depth. In contrast, the models for the EH have a high attenuation zone at the top 150 km layer. However, almost all models show common features below a depth of 250 km where the attenuation starts to gradually decrease with depth. It appears that hemispheric heterogeneities of the inner core are confined to the top 150 - 250 km of the inner core. Velocity models obtained by using various core phase data (PKP(DF), PKP(BC), PKP(CD) and PKP(Cdiff)) will be also presented to infer the origin of hemispherical heterogeneities and their relationship to the growing process of the inner core.

Ground-State Distortion in N-Acyl-tert-butyl-carbamates (Boc) and N-Acyl-tosylamides (Ts): Twisted Amides of Relevance to Amide N-C Cross-Coupling.

PubMed

Szostak, Roman; Shi, Shicheng; Meng, Guangrong; Lalancette, Roger; Szostak, Michal

2016-09-02

Amide N-C(O) bonds are generally unreactive in cross-coupling reactions employing low-valent transition metals due to nN → π*C═O resonance. Herein we demonstrate that N-acyl-tert-butyl-carbamates (Boc) and N-acyl-tosylamides (Ts), two classes of acyclic amides that have recently enabled the development of elusive amide bond N-C cross-coupling reactions with organometallic reagents, are intrinsically twisted around the N-C(O) axis. The data have important implications for the design of new amide cross-coupling reactions with the N-C(O) amide bond cleavage as a key step.

The hard start phenomena in hypergolic engines. Volume 5: RCS engine deformation and destruct tests

NASA Technical Reports Server (NTRS)

Miron, Y.; Perlee, H. E.

1974-01-01

Tests were conducted to determine the causes of Apollo Reaction Control (RCS) engine failures. Stainless steel engines constructed for use in the destructive tests are described. The tests conducted during the three phase investigation are discussed. It was determined that the explosive reaction that destroys the RCS engines occurs at the time of engine ignition and is apparently due to either the detonation of the heterogeneous constituents of the rocket engine, consisting primarily of unreacted propellant droplets and vapors, and/or the detonation of explosive materials accumulated on the engine walls from previous pulses. Photographs of the effects of explosions on the simulated RCS engines are provided.

Recent advances and developments in composite dental restorative materials.

PubMed

Cramer, N B; Stansbury, J W; Bowman, C N

2011-04-01

Composite dental restorations represent a unique class of biomaterials with severe restrictions on biocompatibility, curing behavior, esthetics, and ultimate material properties. These materials are presently limited by shrinkage and polymerization-induced shrinkage stress, limited toughness, the presence of unreacted monomer that remains following the polymerization, and several other factors. Fortunately, these materials have been the focus of a great deal of research in recent years with the goal of improving restoration performance by changing the initiation system, monomers, and fillers and their coupling agents, and by developing novel polymerization strategies. Here, we review the general characteristics of the polymerization reaction and recent approaches that have been taken to improve composite restorative performance.

The photodimerisation of the α- and β-forms of trans-cinnamic acid: a study of single crystals by vibrational microspectroscopy

NASA Astrophysics Data System (ADS)

Atkinson, Samantha D. M.; Almond, Matthew J.; Hollins, Peter; Jenkins, Samantha L.

2003-02-01

Infrared and Raman microspectroscopy have been used to follow the photodimerisation reactions of single crystals, the α- and β-forms of trans-cinnamic acid. This approach allows the starting materials and products—α-truxillic acid that has Ci symmetry and β-truxinic acid, which has Cs symmetry—to be identified. It also allows the topotactic nature of the reaction to be confirmed. Attempts to produce the poorly-defined unreactive γ-form of trans-cinnamic acid resulted only in a mixture of the α- and β-forms. The findings suggest a wide role for these spectroscopic methods in monitoring solid-state organic reactions.

New Horizons in C-F Activation by Main Group Electrophiles

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

Ozerov, Oleg V.

2016-02-13

This technical report describes progress on the DOE sponsored project "New Horizons in C-F Activation by Main Group Electrophiles" during the period of 09/15/2010 – 08/31/2015. The main goal of this project was to develop improved catalysts for conversion of carbon-fluorine bonds in potentially harmful compounds. The approach involved combining of a highly reactive positively charged main-group compound with a highly unreactive negatively charged species (anions) as a way to access potent catalysts for carbon-fluorine bond activation. This report details progress made in improving synthetic pathways to a variety of new anions with improved properties and analysis of their potentialmore » in catalysis.« less

Reactions of inorganic free radicals with liver protecting drugs

NASA Astrophysics Data System (ADS)

György, I.; Blázovics, A.; Fehér, J.; Földiák, G.

Liver protecting drugs, silibinin, a flavonolignane, and the dihydroquinoline derivates, CH 402 and MTDQ-DA, were shown to inhibit processes in which enzymatically or non-enzymatically generated free radicals were involved. Inorganic free radicals (N 3, (SCN) -2, OH, Trp, CO -2, O -2) produced by pulse radiolysis readily react with the compounds, which transform into exceptionally long-lived, unreactive transients. Time evolution of the UV and visible spectra indicate that oxidising radicals form a phenoxyl type radical from silibinin, while OH forms an adduct by attacking, simultaneously, at various sites of the molecule. Superoxide radicals reduce silibinin and oxidise CH 402 and MTDQ-DA. It is concluded that the drugs might exhibit antioxidant behavior in living systems.

Composition and method for polymer moderated catalytic water formation

DOEpatents

Shepodd, Timothy Jon

1999-01-01

A composition suitable for safely removing hydrogen from gaseous mixtures containing hydrogen and oxygen, particularly those mixtures wherein the hydrogen concentration is within the explosive range. The composition comprises a hydrogenation catalyst, preferably Pd dispersed on carbon, wherein the concentration of Pd is from about 1-10 wt %, dispersed in a polymeric material matrix. As well as serving as a matrix to contain the hydrogenation catalyst, the polymeric material, which is substantially unreactive to hydrogen, provides both a diffusion restriction to hydrogen and oxygen, thereby limiting the rate at which the reactants (hydrogen and oxygen) can diffuse to the catalyst surface and thus, the production of heat from the recombination reaction and as a heat sink.

Microbial control of silicate weathering in organic-rich ground water

USGS Publications Warehouse

Hiebert, Franz K.; Bennett, Philip C.

1992-01-01

An in situ microcosm study of the influence of surface-adhering bacteria on silicate diagenesis in a shallow petroleum-contaminated aquifer showed that minerals were colonized by indigenous bacteria and chemically weathered at a rate faster than theoretically predicted. Feldspar and quartz fragments were placed in anoxic, organic-rich ground water, left for 14 months, recovered, and compared to unreacted controls with scanning electron microscopy. Ground-water geochemistry was characterized before and after the experiment. Localized mineral etching probably occurred in a reaction zone at the bacteria-mineral interface where high concentrations of organic acids, formed by bacteria during metabolism of hydrocarbon, selectively mobilized silica and aluminum from the mineral surface.

Recent Advances and Developments in Composite Dental Restorative Materials

PubMed Central

Cramer, N.B.; Stansbury, J.W.; Bowman, C.N.

2011-01-01

Composite dental restorations represent a unique class of biomaterials with severe restrictions on biocompatibility, curing behavior, esthetics, and ultimate material properties. These materials are presently limited by shrinkage and polymerization-induced shrinkage stress, limited toughness, the presence of unreacted monomer that remains following the polymerization, and several other factors. Fortunately, these materials have been the focus of a great deal of research in recent years with the goal of improving restoration performance by changing the initiation system, monomers, and fillers and their coupling agents, and by developing novel polymerization strategies. Here, we review the general characteristics of the polymerization reaction and recent approaches that have been taken to improve composite restorative performance. PMID:20924063

Core surface magnetic field evolution 2000-2010

NASA Astrophysics Data System (ADS)

Finlay, C. C.; Jackson, A.; Gillet, N.; Olsen, N.

2012-05-01

We present new dedicated core surface field models spanning the decade from 2000.0 to 2010.0. These models, called gufm-sat, are based on CHAMP, Ørsted and SAC-C satellite observations along with annual differences of processed observatory monthly means. A spatial parametrization of spherical harmonics up to degree and order 24 and a temporal parametrization of sixth-order B-splines with 0.25 yr knot spacing is employed. Models were constructed by minimizing an absolute deviation measure of misfit along with measures of spatial and temporal complexity at the core surface. We investigate traditional quadratic or maximum entropy regularization in space, and second or third time derivative regularization in time. Entropy regularization allows the construction of models with approximately constant spectral slope at the core surface, avoiding both the divergence characteristic of the crustal field and the unrealistic rapid decay typical of quadratic regularization at degrees above 12. We describe in detail aspects of the models that are relevant to core dynamics. Secular variation and secular acceleration are found to be of lower amplitude under the Pacific hemisphere where the core field is weaker. Rapid field evolution is observed under the eastern Indian Ocean associated with the growth and drift of an intense low latitude flux patch. We also find that the present axial dipole decay arises from a combination of subtle changes in the southern hemisphere field morphology.

An experimental and theoretical study to relate uncommon rock/fluid properties to oil recovery. Final report

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

Watson, R.

Waterflooding is the most commonly used secondary oil recovery technique. One of the requirements for understanding waterflood performance is a good knowledge of the basic properties of the reservoir rocks. This study is aimed at correlating rock-pore characteristics to oil recovery from various reservoir rock types and incorporating these properties into empirical models for Predicting oil recovery. For that reason, this report deals with the analyses and interpretation of experimental data collected from core floods and correlated against measurements of absolute permeability, porosity. wettability index, mercury porosimetry properties and irreducible water saturation. The results of the radial-core the radial-core andmore » linear-core flow investigations and the other associated experimental analyses are presented and incorporated into empirical models to improve the predictions of oil recovery resulting from waterflooding, for sandstone and limestone reservoirs. For the radial-core case, the standardized regression model selected, based on a subset of the variables, predicted oil recovery by waterflooding with a standard deviation of 7%. For the linear-core case, separate models are developed using common, uncommon and combination of both types of rock properties. It was observed that residual oil saturation and oil recovery are better predicted with the inclusion of both common and uncommon rock/fluid properties into the predictive models.« less

Steric interactions determine side-chain conformations in protein cores.

PubMed

Caballero, D; Virrueta, A; O'Hern, C S; Regan, L

2016-09-01

We investigate the role of steric interactions in defining side-chain conformations in protein cores. Previously, we explored the strengths and limitations of hard-sphere dipeptide models in defining sterically allowed side-chain conformations and recapitulating key features of the side-chain dihedral angle distributions observed in high-resolution protein structures. Here, we show that modeling residues in the context of a particular protein environment, with both intra- and inter-residue steric interactions, is sufficient to specify which of the allowed side-chain conformations is adopted. This model predicts 97% of the side-chain conformations of Leu, Ile, Val, Phe, Tyr, Trp and Thr core residues to within 20°. Although the hard-sphere dipeptide model predicts the observed side-chain dihedral angle distributions for both Thr and Ser, the model including the protein environment predicts side-chain conformations to within 20° for only 60% of core Ser residues. Thus, this approach can identify the amino acids for which hard-sphere interactions alone are sufficient and those for which additional interactions are necessary to accurately predict side-chain conformations in protein cores. We also show that our approach can predict alternate side-chain conformations of core residues, which are supported by the observed electron density. © The Author 2016. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

The Impact of Progenitor Mass Loss on the Dynamical and Spectral Evolution of Supernova Remnants

NASA Astrophysics Data System (ADS)

Patnaude, Daniel J.; Lee, Shiu-Hang; Slane, Patrick O.; Badenes, Carles; Nagataki, Shigehiro; Ellison, Donald C.; Milisavljevic, Dan

2017-11-01

There is now substantial evidence that the progenitors of some core-collapse supernovae undergo enhanced or extreme mass loss prior to explosion. The imprint of this mass loss is observed in the spectra and dynamics of the expanding blast wave on timescales of days to years after core collapse, and the effects on the spectral and dynamical evolution may linger long after the supernova has evolved into the remnant stage. In this paper, we present, for the first time, largely self-consistent end-to-end simulations for the evolution of a massive star from the pre-main sequence, up to and through core collapse, and into the remnant phase. We present three models and compare and contrast how the progenitor mass-loss history impacts the dynamics and spectral evolution of the supernovae and supernova remnants. We study a model that only includes steady mass loss, a model with enhanced mass loss over a period of ˜5000 yr prior to core collapse, and a model with extreme mass loss over a period of ˜500 yr prior to core collapse. The models are not meant to address any particular supernova or supernova remnant, but rather to highlight the important role that the progenitor evolution plays in the observable qualities of supernovae and supernova remnants. Through comparisons of these three different progenitor evolution scenarios, we find that the mass loss in late stages (during and after core carbon burning) can have a profound impact on the dynamics and spectral evolution of the supernova remnant centuries after core collapse.

Empirical models of Jupiter's interior from Juno data. Moment of inertia and tidal Love number k2

NASA Astrophysics Data System (ADS)

Ni, Dongdong

2018-05-01

Context. The Juno spacecraft has significantly improved the accuracy of gravitational harmonic coefficients J4, J6 and J8 during its first two perijoves. However, there are still differences in the interior model predictions of core mass and envelope metallicity because of the uncertainties in the hydrogen-helium equations of state. New theoretical approaches or observational data are hence required in order to further constrain the interior models of Jupiter. A well constrained interior model of Jupiter is helpful for understanding not only the dynamic flows in the interior, but also the formation history of giant planets. Aims: We present the radial density profiles of Jupiter fitted to the Juno gravity field observations. Also, we aim to investigate our ability to constrain the core properties of Jupiter using its moment of inertia and tidal Love number k2 which could be accessible by the Juno spacecraft. Methods: In this work, the radial density profile was constrained by the Juno gravity field data within the empirical two-layer model in which the equations of state are not needed as an input model parameter. Different two-layer models are constructed in terms of core properties. The dependence of the calculated moment of inertia and tidal Love number k2 on the core properties was investigated in order to discern their abilities to further constrain the internal structure of Jupiter. Results: The calculated normalized moment of inertia (NMOI) ranges from 0.2749 to 0.2762, in reasonable agreement with the other predictions. There is a good correlation between the NMOI value and the core properties including masses and radii. Therefore, measurements of NMOI by Juno can be used to constrain both the core mass and size of Jupiter's two-layer interior models. For the tidal Love number k2, the degeneracy of k2 is found and analyzed within the two-layer interior model. In spite of this, measurements of k2 can still be used to further constrain the core mass and size of Jupiter's two-layer interior models.

Effects of high shock pressures and pore morphology on hot spot mechanisms in HMX

NASA Astrophysics Data System (ADS)

Springer, H. K.; Tarver, C. M.; Bastea, S.

2017-01-01

The shock initiation and detonation behavior of heterogeneous solid explosives is governed by its microstructure and reactive properties. New additive manufacturing techniques offer unprecedented control of explosive microstructures previously impossible, enabling us to develop novel explosives with tailored shock sensitivity and detonation properties. Since microstructure-performance relationships are not well established for explosives, there is little material design guidance for these manufacturing techniques. In this study, we explore the effects of high shock pressures (15-38 GPa) with long shock durations and different pore morphologies on hot spot mechanisms in HMX. HMX is chosen as the model material because we have experimental data on many of the chemical-thermal-mechanical properties required for pore collapse simulations. Our simulations are performed using the multi-physics arbitrary Lagrangian Eulerian finite element hydrocode, ALE3D, with Cheetah-based models for the unreacted and the product equation-of-states. We use a temperature-dependent specific heat with the unreacted equation-of-state and a temperature-dependent viscosity model to ensure accurate shock temperatures for subsequent chemistry. The Lindemann Law model is used for shock melting in HMX. In contrast to previous pore collapse studies at lower shock pressures (≤10 GPa) in HMX and shorter post-collapse burning times, our calculations show that shock melting occurs above 15 GPa due to higher bulk heating and a prominent elongated ("jet-like") hot spot region forms at later times. The combination of the elongated, post-collapse hot spot region and the higher bulk heating with increasing pressure dramatically increases the growth rate of reaction. Our calculations show that the reaction rate, dF/dt, increases with increasing shock pressure. We decompose the reaction rate into ignition ((dF/dt)ig) and growth ((dF/dt)gr) phases to better analyze our results. We define the ignition phase to primarily include pore collapse and growth phase to primarily include post-collapse grain burning. We are able to track late-time, post-collapse burning due to the unique loading conditions employed in these calculations. We find that (dF/dt)gr > (dF/dt)ig for all pressures considered. (dF/dt)gr changes more significantly from 25 to 38 GPa (from 0.05/µs to >10-100/µs) than from 15 to 25 GPa (from 0.005/µs to 0.05/µs). There is a three order-of-magnitude difference in the reaction from 15 to 38 GPa just after pore collapse. This is qualitatively consistent with fitting the (macroscopic) Ignition and Growth model to high pressure shock initiation data, where much larger reaction fractions are needed to capture the early stages of reaction. Calculated burn rates demonstrate better agreement with data at intermediate times in the growth phase for 15 to 25 GPa and late times for 30 GPa then at any time in the growth phase for 38 GPa. Our calculations are much higher than burn rate data at the earliest times in the growth phase for all pressures, which may reflect the higher localized pressures and temperatures just after pore collapse in the ignition phase. Our calculations with spherical, conical, and elliptical pores show that the influence of morphology on reaction rate is pressure dependent and the most influential pore shapes at lower pressures aren't the same at higher pressures in the regime studied. Altogether these studies provide the basis for developing microstructure-aware models that can be used to design new explosives with optimal performance-safety characteristics. Such models can be used to guide additive manufacturing of explosives and fully exploit their disruptive nature.

A wet, heterogeneous lunar interior: Lower mantle and core dynamo evolution

NASA Astrophysics Data System (ADS)

Evans, A. J.; Zuber, M. T.; Weiss, B. P.; Tikoo, S. M.

2014-05-01

While recent analyses of lunar samples indicate the Moon had a core dynamo from at least 4.2-3.56 Ga, mantle convection models of the Moon yield inadequate heat flux at the core-mantle boundary to sustain thermal core convection for such a long time. Past investigations of lunar dynamos have focused on a generally homogeneous, relatively dry Moon, while an initial compositionally stratified mantle is the expected consequence of a postaccretionary lunar magma ocean. Furthermore, recent re-examination of Apollo samples and geophysical data suggests that the Moon contains at least some regions with high water content. Using a finite element model, we investigate the possible consequences of a heterogeneously wet, compositionally stratified interior for the evolution of the Moon. We find that a postoverturn model of mantle cumulates could result in a core heat flux sufficiently high to sustain a dynamo through 2.5 Ga and a maximum surface, dipolar magnetic field strength of less than 1 μT for a 350-km core and near ˜2 μT for a 450-km core. We find that if water was transported or retained preferentially in the deep interior, it would have played a significant role in transporting heat out of the deep interior and reducing the lower mantle temperature. Thus, water, if enriched in the lower mantle, could have influenced core dynamo timing by over 1.0 Gyr and enhanced the vigor of a lunar core dynamo. Our results demonstrate the plausibility of a convective lunar core dynamo even beyond the period currently indicated by the Apollo samples.

Steamworlds: Atmospheric Structure and Critical Mass of Planets Accreting Icy Pebbles

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

Chambers, John, E-mail: jchambers@carnegiescience.edu

In the core accretion model, gas-giant planets first form a solid core, which then accretes gas from a protoplanetary disk when the core exceeds a critical mass. Here, we model the atmosphere of a core that grows by accreting ice-rich pebbles. The ice fraction of pebbles evaporates in warm regions of the atmosphere, saturating it with water vapor. Excess water precipitates to lower altitudes. Beneath an outer radiative region, the atmosphere is convective, following a moist adiabat in saturated regions due to water condensation and precipitation. Atmospheric mass, density, and temperature increase with core mass. For nominal model parameters, planetsmore » with core masses (ice + rock) between 0.08 and 0.16 Earth masses have surface temperatures between 273 and 647 K and form an ocean. In more massive planets, water exists as a supercritical convecting fluid mixed with gas from the disk. Typically, the core mass reaches a maximum (the critical mass) as a function of the total mass when the core is 2–5 Earth masses. The critical mass depends in a complicated way on pebble size, mass flux, and dust opacity due to the occasional appearance of multiple core-mass maxima. The core mass for an atmosphere of 50% hydrogen and helium may be a more robust indicator of the onset of gas accretion. This mass is typically 1–3 Earth masses for pebbles that are 50% ice by mass, increasing with opacity and pebble flux and decreasing with pebble ice/rock ratio.« less

Greater sage-grouse population trends across Wyoming

USGS Publications Warehouse

Edmunds, David; Aldridge, Cameron L.; O'Donnell, Michael; Monroe, Adrian

2018-01-01

The scale at which analyses are performed can have an effect on model results and often one scale does not accurately describe the ecological phenomena of interest (e.g., population trends) for wide-ranging species: yet, most ecological studies are performed at a single, arbitrary scale. To best determine local and regional trends for greater sage-grouse (Centrocercus urophasianus) in Wyoming, USA, we modeled density-independent and -dependent population growth across multiple spatial scales relevant to management and conservation (Core Areas [habitat encompassing approximately 83% of the sage-grouse population on ∼24% of surface area in Wyoming], local Working Groups [7 regional areas for which groups of local experts are tasked with implementing Wyoming's statewide sage-grouse conservation plan at the local level], Core Area status (Core Area vs. Non-Core Area) by Working Groups, and Core Areas by Working Groups). Our goal was to determine the influence of fine-scale population trends (Core Areas) on larger-scale populations (Working Group Areas). We modeled the natural log of change in population size ( peak M lek counts) by time to calculate the finite rate of population growth (λ) for each population of interest from 1993 to 2015. We found that in general when Core Area status (Core Area vs. Non-Core Area) was investigated by Working Group Area, the 2 populations trended similarly and agreed with the overall trend of the Working Group Area. However, at the finer scale where Core Areas were analyzed separately, Core Areas within the same Working Group Area often trended differently and a few large Core Areas could influence the overall Working Group Area trend and mask trends occurring in smaller Core Areas. Relatively close fine-scale populations of sage-grouse can trend differently, indicating that large-scale trends may not accurately depict what is occurring across the landscape (e.g., local effects of gas and oil fields may be masked by increasing larger populations). 

Energy loss due to eddy current in linear transformer driver cores

NASA Astrophysics Data System (ADS)

Kim, A. A.; Mazarakis, M. G.; Manylov, V. I.; Vizir, V. A.; Stygar, W. A.

2010-07-01

In linear transformer drivers [Phys. Rev. ST Accel. Beams 12, 050402 (2009)PRABFM1098-440210.1103/PhysRevSTAB.12.050402; Phys. Rev. ST Accel. Beams 12, 050401 (2009)PRABFM1098-440210.1103/PhysRevSTAB.12.050401] as well as any other linear induction accelerator cavities, ferromagnetic cores are used to prevent the current from flowing along the induction cavity walls which are in parallel with the load. But if the core is made of conductive material, the applied voltage pulse generates the eddy current in the core itself which heats the core and therefore also reduces the overall linear transformer driver (LTD) efficiency. The energy loss due to generation of the eddy current in the cores depends on the specific resistivity of the core material, the design of the core, as well as on the distribution of the eddy current in the core tape during the remagnetizing process. In this paper we investigate how the eddy current is distributed in a core tape with an arbitrary shape hysteresis loop. Our model is based on the textbook knowledge related to the eddy current generation in ferromagnetics with rectangular hysteresis loop, and in usual conductors. For the reader’s convenience, we reproduce some most important details of this knowledge in our paper. The model predicts that the same core would behave differently depending on how fast the applied voltage pulse is: in the high frequency limit, the equivalent resistance of the core reduces during the pulse whereas in the low frequency limit it is constant. An important inference is that the energy loss due to the eddy current generation can be reduced by increasing the cross section of the core over the minimum value which is required to avoid its saturation. The conclusions of the model are confirmed with experimental observations presented at the end of the paper.

Random close packing in protein cores

NASA Astrophysics Data System (ADS)

Gaines, Jennifer C.; Smith, W. Wendell; Regan, Lynne; O'Hern, Corey S.

2016-03-01

Shortly after the determination of the first protein x-ray crystal structures, researchers analyzed their cores and reported packing fractions ϕ ≈0.75 , a value that is similar to close packing of equal-sized spheres. A limitation of these analyses was the use of extended atom models, rather than the more physically accurate explicit hydrogen model. The validity of the explicit hydrogen model was proved in our previous studies by its ability to predict the side chain dihedral angle distributions observed in proteins. In contrast, the extended atom model is not able to recapitulate the side chain dihedral angle distributions, and gives rise to large atomic clashes at side chain dihedral angle combinations that are highly probable in protein crystal structures. Here, we employ the explicit hydrogen model to calculate the packing fraction of the cores of over 200 high-resolution protein structures. We find that these protein cores have ϕ ≈0.56 , which is similar to results obtained from simulations of random packings of individual amino acids. This result provides a deeper understanding of the physical basis of protein structure that will enable predictions of the effects of amino acid mutations to protein cores and interfaces of known structure.

Pole-strength of the earth from Magsat and magnetic determination of the core radius

NASA Technical Reports Server (NTRS)

Voorhies, G. V.; Benton, E. R.

1982-01-01

A model based on two days of Magsat data is used to numerically evaluate the unsigned magnetic flux linking the earth's surface, and a comparison of the 16.054 GWb value calculated with values from earlier geomagnetic field models reveals a smooth, monotonic, and recently-accelerating decrease in the earth's pole strength at a 50-year average rate of 8.3 MWb, or 0.052%/year. Hide's (1978) magnetic technique for determining the radius of the earth's electrically-conducting core is tested by (1) extrapolating main field models for 1960 and 1965 downward through the nearly-insulating mantle, and then separately comparing them to equivalent, extrapolated models of Magsat data. The two unsigned fluxes are found to equal the Magsat values at a radius which is within 2% of the core radius; and (2) the 1960 main field and secular variation and acceleration coefficients are used to derive models of 1930, 1940 and 1950. The same core magnetic radius value, within 2% of the seismic value, is obtained. It is concluded that the mantle is a nearly-perfect insulator, while the core is a perfect conductor, on the decade time scale.

Random close packing in protein cores.

PubMed

Gaines, Jennifer C; Smith, W Wendell; Regan, Lynne; O'Hern, Corey S

2016-03-01

Shortly after the determination of the first protein x-ray crystal structures, researchers analyzed their cores and reported packing fractions ϕ ≈ 0.75, a value that is similar to close packing of equal-sized spheres. A limitation of these analyses was the use of extended atom models, rather than the more physically accurate explicit hydrogen model. The validity of the explicit hydrogen model was proved in our previous studies by its ability to predict the side chain dihedral angle distributions observed in proteins. In contrast, the extended atom model is not able to recapitulate the side chain dihedral angle distributions, and gives rise to large atomic clashes at side chain dihedral angle combinations that are highly probable in protein crystal structures. Here, we employ the explicit hydrogen model to calculate the packing fraction of the cores of over 200 high-resolution protein structures. We find that these protein cores have ϕ ≈ 0.56, which is similar to results obtained from simulations of random packings of individual amino acids. This result provides a deeper understanding of the physical basis of protein structure that will enable predictions of the effects of amino acid mutations to protein cores and interfaces of known structure.

Methods for computing comet core temperatures

NASA Astrophysics Data System (ADS)

McKay, C. P.; Squyres, S. W.; Reynolds, R. T.

1986-06-01

The temperature profile within the comet nucleus provides the key to an understanding of the history of the volatiles within a comet. Certain difficulties arise in connection with current cometary temperature models. It is shown that the constraint of zero net heat flow can be used to derive general analytical expressions which will allow for the determination of comet core temperature for a spherically symmetric comet, taking into account information about the surface temperature and the thermal conductivity. The obtained results are compared with the expression for comet core temperatures considered by Klinger (1981). Attention is given to analytical results, an example case, and numerical models. The formalization developed makes it possible to determine the core temperature on the basis of the numerical models of the surface temperature.

Influences of external vs. core-shell mixing on aerosol optical properties at various relative humidities.

PubMed

Ramachandran, S; Srivastava, Rohit

2013-05-01

Aerosol optical properties of external and core-shell mixtures of aerosol species present in the atmosphere are calculated in this study for different relative humidities. Core-shell Mie calculations are performed using the values of radii, refractive indices and densities of aerosol species that act as core and shell, and the core-shell radius ratio. The single scattering albedo (SSA) is higher when the absorbing species (black carbon, BC) is the core, while for a sulfate core SSA does not vary significantly as the BC in the shell dominates the absorption. Absorption gets enhanced in core-shell mixing of absorbing and scattering aerosols when compared to their external mixture. Thus, SSA is significantly lower for a core-shell mixture than their external mixture. SSA is more sensitive to core-shell ratio than mode radius when BC is the core. The extinction coefficient, SSA and asymmetry parameter are higher for external mixing when compared to BC (core)-water soluble aerosol (shell), and water soluble aerosol (core)-BC (shell) mixtures in the relative humidity range of 0 to 90%. Spectral SSA exhibits the behaviour of the species which acts as a shell in core-shell mixing. The asymmetry parameter for an external mixture of water soluble aerosol and BC is higher than BC (core)-water soluble aerosol (shell) mixing and increases as function of relative humidity. The asymmetry parameter for the water soluble aerosol (core)-BC (shell) is independent of relative humidity as BC is hydrophobic. The asymmetry parameter of the core-shell mixture decreases when BC aerosols are involved in mixing, as the asymmetry parameter of BC is lower. Aerosol optical depth (AOD) of core-shell mixtures increases at a higher rate when the relative humidity exceeds 70% in continental clean and urban aerosol models, whereas AOD remains the same when the relative humidity exceeds 50% in maritime aerosol models. The SSA for continental aerosols varies for core-shell mixing of water soluble aerosol (core)-shell (BC) when compared to their external mixture, while the SSA for maritime aerosols does not vary significantly for different mixing scenarios because of the dominance of sea salt aerosols. Thus, these results confirm that aerosol mixing can modify the physical and optical characteristics of aerosols, which vary as a function of relative humidity. These calculations will be useful in parameterising the effect of core-shell vs. external mixing of aerosols in global climate models, and in the evaluation of aerosol radiative effects.

The Dynamics of Massive Starless Cores with ALMA

NASA Astrophysics Data System (ADS)

Tan, Jonathan C.; Kong, Shuo; Butler, Michael J.; Caselli, Paola; Fontani, Francesco

2013-12-01

How do stars that are more massive than the Sun form, and thus how is the stellar initial mass function (IMF) established? Such intermediate- and high-mass stars may be born from relatively massive pre-stellar gas cores, which are more massive than the thermal Jeans mass. The turbulent core accretion model invokes such cores as being in approximate virial equilibrium and in approximate pressure equilibrium with their surrounding clump medium. Their internal pressure is provided by a combination of turbulence and magnetic fields. Alternatively, the competitive accretion model requires strongly sub-virial initial conditions that then lead to extensive fragmentation to the thermal Jeans scale, with intermediate- and high-mass stars later forming by competitive Bondi-Hoyle accretion. To test these models, we have identified four prime examples of massive (~100 M ⊙) clumps from mid-infrared extinction mapping of infrared dark clouds. Fontani et al. found high deuteration fractions of N2H+ in these objects, which are consistent with them being starless. Here we present ALMA observations of these four clumps that probe the N2D+ (3-2) line at 2.''3 resolution. We find six N2D+ cores and determine their dynamical state. Their observed velocity dispersions and sizes are broadly consistent with the predictions of the turbulent core model of self-gravitating, magnetized (with Alfvén Mach number mA ~ 1) and virialized cores that are bounded by the high pressures of their surrounding clumps. However, in the most massive cores, with masses up to ~60 M ⊙, our results suggest that moderately enhanced magnetic fields (so that mA ~= 0.3) may be needed for the structures to be in virial and pressure equilibrium. Magnetically regulated core formation may thus be important in controlling the formation of massive cores, inhibiting their fragmentation, and thus helping to establish the stellar IMF.

A dissolution model that accounts for coverage of mineral surfaces by precipitation in core floods

NASA Astrophysics Data System (ADS)

Pedersen, Janne; Jettestuen, Espen; Madland, Merete V.; Hildebrand-Habel, Tania; Korsnes, Reidar I.; Vinningland, Jan Ludvig; Hiorth, Aksel

2016-01-01

In this paper, we propose a model for evolution of reactive surface area of minerals due to surface coverage by precipitating minerals. The model is used to interpret results from an experiment where a chalk core was flooded with MgCl2 for 1072 days, giving rise to calcite dissolution and magnesite precipitation. The model successfully describes both the long-term behavior of the measured effluent concentrations and the more or less homogeneous distribution of magnesite found in the core after 1072 days. The model also predicts that precipitating magnesite minerals form as larger crystals or aggregates of smaller size crystals, and not as thin flakes or as a monomolecular layer. Using rate constants obtained from literature gave numerical effluent concentrations that diverged from observed values only after a few days of flooding. To match the simulations to the experimental data after approximately 1 year of flooding, a rate constant that is four orders of magnitude lower than reported by powder experiments had to be used. We argue that a static rate constant is not sufficient to describe a chalk core flooding experiment lasting for nearly 3 years. The model is a necessary extension of standard rate equations in order to describe long term core flooding experiments where there is a large degree of textural alteration.

Effect of superconducting solenoid model cores on spanwise iron magnet roll control

NASA Technical Reports Server (NTRS)

Britcher, C. P.

1985-01-01

Compared with conventional ferromagnetic fuselage cores, superconducting solenoid cores appear to offer significant reductions in the projected cost of a large wind tunnel magnetic suspension and balance system. The provision of sufficient magnetic roll torque capability has been a long-standing problem with all magnetic suspension and balance systems; and the spanwise iron magnet scheme appears to be the most powerful system available. This scheme utilizes iron cores which are installed in the wings of the model. It was anticipated that the magnetization of these cores, and hence the roll torque generated, would be affected by the powerful external magnetic field of the superconducting solenoid. A preliminary study has been made of the effect of the superconducting solenoid fuselage model core concept on the spanwise iron magnet roll torque generation schemes. Computed data for one representative configuration indicate that reductions in available roll torque occur over a range of applied magnetic field levels. These results indicate that a 30-percent increase in roll electromagnet capacity over that previously determined will be required for a representative 8-foot wind tunnel magnetic suspension and balance system design.

Does it pay to be smart, attractive, or confident (or all three)? Relationships among general mental ability, physical attractiveness, core self-evaluations, and income.

PubMed

Judge, Timothy A; Hurst, Charlice; Simon, Lauren S

2009-05-01

The authors investigated core self-evaluations and educational attainment as mediating mechanisms for the influence of appearance (physical attractiveness) and intelligence (general mental ability) on income and financial strain. The direct effects of core self-evaluations on financial strain, as well as the indirect effects through income, were also considered. Longitudinal data were obtained as part of a national study, the Harvard Study of Health and Life Quality, and proposed models were evaluated with structural equation modeling. Results supported a partially mediated model, such that general mental ability and physical attractiveness exhibited both direct and indirect effects on income, as mediated by educational attainment and core self-evaluations. Finally, income negatively predicted financial strain, whereas core self-evaluations had both a direct and an indirect (through income) negative effect on financial strain. Overall, the results suggest that looks (physical attractiveness), brains (intelligence), and personality (core self-evaluations) are all important to income and financial strain. (c) 2009 APA, all rights reserved.

Effect of alloying on screw dislocation structure in Mo: atomistic modelling approach with ab-initio parametrization

NASA Astrophysics Data System (ADS)

Gornostyrev, Yu. N.

2005-03-01

The plastic deformation in bcc metals is realized by the motion of screw dislocations with a complex star-like non-planar core. In this case, the direct investigation of the solute effect by first principles electronic structure calculations is a challenging problem for which we follow a combined approach that includes atomistic dislocation modelling with ab-initio parametrization of interatomic interactions. The screw dislocation core structure in Mo alloys is described within the model of atomic row displacements along a dislocation line with the interatomic row potential estimated from total energy full-potential linear muffin-tin orbital (FLMTO) calculations with the generalized gradient approximation (GGA) for the exchange-correlation potential. We demonstrate (1) that the solute effect on the dislocation structure is different for ``hard'' and ``easy'' cores and (2) that the softener addition in a ``hard'' core gives rise to a structural transformation into a configuration with a lower energy through an intermediate state. The softener solute is shown to disturb locally the three-fold symmetry of the dislocation core and the dislocation structure tends to the split planar core.

Multimedia Learning System and Its Effect on Self-Efficacy in Database Modeling and Design: An Exploratory Study

ERIC Educational Resources Information Center

Cheung, Waiman; Li, Eldon Y.; Yee, Lester W.

2003-01-01

Metadatabase modeling and design integrate process modeling and data modeling methodologies. Both are core topics in the information technology (IT) curriculum. Learning these topics has been an important pedagogical issue to the core studies for management information systems (MIS) and computer science (CSc) students. Unfortunately, the learning…

Preservice Secondary Teachers' Conceptions from a Mathematical Modeling Activity and Connections to the Common Core State Standards

ERIC Educational Resources Information Center

Stohlmann, Micah; Maiorca, Cathrine; Olson, Travis A.

2015-01-01

Mathematical modeling is an essential integrated piece of the Common Core State Standards. However, researchers have shown that mathematical modeling activities can be difficult for teachers to implement. Teachers are more likely to implement mathematical modeling activities if they have their own successful experiences with such activities. This…

The Magnetic Dichotomy of the Galilean Satellites Europa and Ganymede

NASA Astrophysics Data System (ADS)

Breuer, D.; Hussmann, H.; Spohn, T.

2006-12-01

A major discovery of the Galileo mission was the detection of Ganymede's self-generated magnetic field. The magnetic field also proves beyond doubt that Ganymede is fully differentiated into an iron-rich core, a silicate mantle, and an outer ice shell that most likely also contains an ocean. It is widely believed that Europa has a similar structure although the absence of a self-sustained magnetic field makes the case for a core in Europa less compelling. Since Callisto's moment-of-inertia factor suggests an undifferentiated satellite and since the absence of a magnetic of Io is best explained by tidal heating in the mantle blocking the heat flow from the core (Wienbruch and Spohn, 1995), Europa and Ganymede form a magnetic dichotomy in the Jovian system. We have used stagnant lid models of convection in the two icy satellites to calculate thermal history models with core cooling and have allowed for inner core growth through freezing. The models have stagnant lid convection or conduction in the outer ice shells (depending on material parameters), isothermal oceans, and, in the case of Ganymede, stagnant-lid convection in the ice shell underneath the ocean and above the rock mantle. For Europa the ocean interfaces with the rock mantle. We assume iron cores that start fully molten for both satellites, the radii of which were taken from Sohl et al. (2002). These models suggest that Europa has a few 100 km smaller core and thinner mantle and a substantially thinner ice shell. All but interior structure parameters equal, we find that core convection and hence dynamo action is more likely for Europa than for Ganymede. The reason are mainly the larger core and the thicker mantle. Accepting core convection in Ganymede, the question than poses itself of how to explain the absence of core convection in Europa. We find and will discuss the following possibilities: 1) Europa has no iron core. This is consistent with the observation but leaves the question why Ganymede should have fully differentiated while Europa did not. 2) A higher concentration of light elements in Europa's core. Taking Sulfur as a point in case, Europa may have more sulfur, in which case more cooling would be required to freeze the core, or may even be on the FeS rich side of the eutectic, in which case chemical convection could be less efficient in Europa. 3) Tidal heating. We find that a few times the present-day radiogenic heating rate would be required to possibly frustrate dynamo action. This much tidal heat is consistent with the models of Hussmann et al. (2002) Hussmann, H. et al., 2002. Icarus, 156, 143-151; Sohl, F. et al., 2002, Icarus, 157,104-119; Wienbruch, U. and T. Spohn, 1995, PSS, 43, 1045-1057

Earth's Outer Core Properties Estimated Using Bayesian Inversion of Normal Mode Eigenfrequencies

NASA Astrophysics Data System (ADS)

Irving, J. C. E.; Cottaar, S.; Lekic, V.

2016-12-01

The outer core is arguably Earth's most dynamic region, and consists of an iron-nickel liquid with an unknown combination of lighter alloying elements. Frequencies of Earth's normal modes provide the strongest constraints on the radial profiles of compressional wavespeed, VΦ, and density, ρ, in the outer core. Recent great earthquakes have yielded new normal mode measurements; however, mineral physics experiments and calculations are often compared to the Preliminary reference Earth model (PREM), which is 35 years old and does not provide uncertainties. Here we investigate the thermo-elastic properties of the outer core using Earth's free oscillations and a Bayesian framework. To estimate radial structure of the outer core and its uncertainties, we choose to exploit recent datasets of normal mode centre frequencies. Under the self-coupling approximation, centre frequencies are unaffected by lateral heterogeneities in the Earth, for example in the mantle. Normal modes are sensitive to both VΦ and ρ in the outer core, with each mode's specific sensitivity depending on its eigenfunctions. We include a priori bounds on outer core models that ensure compatibility with measurements of mass and moment of inertia. We use Bayesian Monte Carlo Markov Chain techniques to explore different choices in parameterizing the outer core, each of which represents different a priori constraints. We test how results vary (1) assuming a smooth polynomial parametrization, (2) allowing for structure close to the outer core's boundaries, (3) assuming an Equation-of-State and adiabaticity and inverting directly for thermo-elastic parameters. In the second approach we recognize that the outer core may have distinct regions close to the core-mantle and inner core boundaries and investigate models which parameterize the well mixed outer core separately from these two layers. In the last approach we seek to map the uncertainties directly into thermo-elastic parameters including the bulk modulus, its pressure derivative, and molar mass and volume, with particular attention paid to the (inherent) trade-offs between the different coefficients. We discuss our results in terms of added uncertainty to the light element composition of the outer core and the potential existence of anomalous structure near the outer core's boundaries.

Evaluating nuclear physics inputs in core-collapse supernova models

NASA Astrophysics Data System (ADS)

Lentz, E.; Hix, W. R.; Baird, M. L.; Messer, O. E. B.; Mezzacappa, A.

Core-collapse supernova models depend on the details of the nuclear and weak interaction physics inputs just as they depend on the details of the macroscopic physics (transport, hydrodynamics, etc.), numerical methods, and progenitors. We present preliminary results from our ongoing comparison studies of nuclear and weak interaction physics inputs to core collapse supernova models using the spherically-symmetric, general relativistic, neutrino radiation hydrodynamics code Agile-Boltztran. We focus on comparisons of the effects of the nuclear EoS and the effects of improving the opacities, particularly neutrino--nucleon interactions.

Dynamic Responses of the Earth's Outer Core to Assimilation of Observed Geomagnetic Secular Variation

NASA Technical Reports Server (NTRS)

Kuang, Weijia; Tangborn, Andrew

2014-01-01

Assimilation of surface geomagnetic observations and geodynamo models has advanced very quickly in recent years. However, compared to advanced data assimilation systems in meteorology, geomagnetic data assimilation (GDAS) is still in an early stage. Among many challenges ranging from data to models is the disparity between the short observation records and the long time scales of the core dynamics. To better utilize available observational information, we have made an effort in this study to directly assimilate the Gauss coefficients of both the core field and its secular variation (SV) obtained via global geomagnetic field modeling, aiming at understanding the dynamical responses of the core fluid to these additional observational constraints. Our studies show that the SV assimilation helps significantly to shorten the dynamo model spin-up process. The flow beneath the core-mantle boundary (CMB) responds significantly to the observed field and its SV. The strongest responses occur in the relatively small scale flow (of the degrees L is approx. 30 in spherical harmonic expansions). This part of the flow includes the axisymmetric toroidal flow (of order m = 0) and non-axisymmetric poloidal flow with m (is) greater than 5. These responses can be used to better understand the core flow and, in particular, to improve accuracies of predicting geomagnetic variability in future.

Rotational modes of a simple Earth model

NASA Astrophysics Data System (ADS)

Seyed-Mahmoud, B.; Rochester, M. G.; Rogister, Y. J. G.

2017-12-01

We study the tilt-over mode (TOM), the spin-over mode (SOM), the free core nutation (FCN), and their relationships to each other using a simple Earth model with a homogeneous and incompressible liquid core and a rigid mantle. Analytical solutions for the periods of these modes as well as that of the Chandler wobble is found for the Earth model. We show that the FCN is the same mode as the SOM of a wobbling Earth. The reduced pressure, in terms of which the vector momentum equation is known to reduce to a scalar second order differential equation (the so called Poincaŕe equation), is used as the independent variable. Analytical solutions are then found for the displacement eigenfucntions in a meridional plane of the liquid core for the aforementioned modes. We show that the magnitude of motion in the mantle during the FCN is comparable to that in the liquid core, hence very small. The displacement eigenfunctions for these aforementioned modes as well as those for the free inner core nutation (FICN), computed numerically, are also given for a three layer Earth model which also includes a rigid but capable of wobbling inner core. We will discuss the slow convergence of the period of the FICN in terms of the characteristic surfaces of the Poincare equation.

HCV IRES-Mediated Core Expression in Zebrafish

PubMed Central

Zhang, Jing-Pu; Hu, Zhan-Ying; Tong, Jun-Wei; Ding, Cun-Bao; Peng, Zong-Gen; Zhao, Li-Xun; Song, Dan-Qing; Jiang, Jian-Dong

2013-01-01

The lack of small animal models for hepatitis C virus has impeded the discovery and development of anti-HCV drugs. HCV-IRES plays an important role in HCV gene expression, and is an attractive target for antiviral therapy. In this study, we report a zebrafish model with a biscistron expression construct that can co-transcribe GFP and HCV-core genes by human hepatic lipase promoter and zebrafish liver fatty acid binding protein enhancer. HCV core translation was designed mediated by HCV-IRES sequence and gfp was by a canonical cap-dependent mechanism. Results of fluorescence image and in situ hybridization indicate that expression of HCV core and GFP is liver-specific; RT-PCR and Western blotting show that both core and gfp expression are elevated in a time-dependent manner for both transcription and translation. It means that the HCV-IRES exerted its role in this zebrafish model. Furthermore, the liver-pathological impact associated with HCV-infection was detected by examination of gene markers and some of them were elevated, such as adiponectin receptor, heparanase, TGF-β, PDGF-α, etc. The model was used to evaluate three clinical drugs, ribavirin, IFNα-2b and vitamin B12. The results show that vitamin B12 inhibited core expression in mRNA and protein levels in dose-dependent manner, but failed to impact gfp expression. Also VB12 down-regulated some gene transcriptions involved in fat liver, liver fibrosis and HCV-associated pathological process in the larvae. It reveals that HCV-IRES responds to vitamin B12 sensitively in the zebrafish model. Ribavirin did not disturb core expression, hinting that HCV-IRES is not a target site of ribavirin. IFNα-2b was not active, which maybe resulted from its degradation in vivo for the long time. These findings demonstrate the feasibility of the zebrafish model for screening of anti-HCV drugs targeting to HCV-IRES. The zebrafish system provides a novel evidence of using zebrafish as a HCV model organism. PMID:23469178

Determination of the neutron activation profile of core drill samples by gamma-ray spectrometry.

PubMed

Gurau, D; Boden, S; Sima, O; Stanga, D

2018-04-01

This paper provides guidance for determining the neutron activation profile of core drill samples taken from the biological shield of nuclear reactors using gamma spectrometry measurements. Thus, it provides guidance for selecting a model of the right form to fit data and using least squares methods for model fitting. The activity profiles of two core samples taken from the biological shield of a nuclear reactor were determined. The effective activation depth and the total activity of core samples along with their uncertainties were computed by Monte Carlo simulation. Copyright © 2017 Elsevier Ltd. All rights reserved.

Toward a more efficient and scalable checkpoint/restart mechanism in the Community Atmosphere Model

NASA Astrophysics Data System (ADS)

Anantharaj, Valentine

2015-04-01

The number of cores (both CPU as well as accelerator) in large-scale systems has been increasing rapidly over the past several years. In 2008, there were only 5 systems in the Top500 list that had over 100,000 total cores (including accelerator cores) whereas the number of system with such capability has jumped to 31 in Nov 2014. This growth however has also increased the risk of hardware failure rates, necessitating the implementation of fault tolerance mechanism in applications. The checkpoint and restart (C/R) approach is commonly used to save the state of the application and restart at a later time either after failure or to continue execution of experiments. The implementation of an efficient C/R mechanism will make it more affordable to output the necessary C/R files more frequently. The availability of larger systems (more nodes, memory and cores) has also facilitated the scaling of applications. Nowadays, it is more common to conduct coupled global climate simulation experiments at 1 deg horizontal resolution (atmosphere), often requiring about 103 cores. At the same time, a few climate modeling teams that have access to a dedicated cluster and/or large scale systems are involved in modeling experiments at 0.25 deg horizontal resolution (atmosphere) and 0.1 deg resolution for the ocean. These ultrascale configurations require the order of 104 to 105 cores. It is not only necessary for the numerical algorithms to scale efficiently but the input/output (IO) mechanism must also scale accordingly. An ongoing series of ultrascale climate simulations, using the Titan supercomputer at the Oak Ridge Leadership Computing Facility (ORNL), is based on the spectral element dynamical core of the Community Atmosphere Model (CAM-SE), which is a component of the Community Earth System Model and the DOE Accelerated Climate Model for Energy (ACME). The CAM-SE dynamical core for a 0.25 deg configuration has been shown to scale efficiently across 100,000 cpu cores. At this scale, there is an increased risk that the simulation could be terminated due to hardware failures, resulting in a loss that could be as high as 105 - 106 titan core hours. Increasing the frequency of the output of C/R files could mitigate this loss but at the cost of additional C/R overhead. We are testing a more efficient C/R mechanism in CAM-SE. Our early implementation has demonstrated a nearly 3X performance improvement for a 1 deg CAM-SE (with CAM5 physics and MOZART chemistry) configuration using nearly 103 cores. We are in the process of scaling our implementation to 105 cores. This would allow us to run ultra scale simulations with more sophisticated physics and chemistry options while making better utilization of resources.

The lunar core and the origin of the moon

NASA Astrophysics Data System (ADS)

Newsom, H. E.

1984-05-01

The results of recent analyses of concentrations of refractory siderophile elements molybdenum and rhenium in lunar rock samples suggest that most siderophile elements in lunar crustal rocks and mare basalts are significantly less concentrated than in the earth's mantle and much less than in chondrite meteorites. The depletion of siderophile elements in the samples implies the existence of a metal core, and the amount of metal in the core is directly related to the conditions under which segregation occurs. The consequences of the data are discussed in terms of three theoretical models of lunar evolution: a terrestrial origin model; a terrestrial origin model which takes metal segregation into account; and an independent origin model. It is shown that less metal is needed for a terrestrial origin because the earth's mantle was already partially depleted in siderophile elements due to the formation of the earth core.

On the Minimum Core Mass for Giant Planet Formation

NASA Astrophysics Data System (ADS)

Piso, Ana-Maria; Youdin, Andrew; Murray-Clay, Ruth

2013-07-01

The core accretion model proposes that giant planets form by the accretion of gas onto a solid protoplanetary core. Previous studies have found that there exists a "critical core mass" past which hydrostatic solutions can no longer be found and unstable atmosphere collapse occurs. This core mass is typically quoted to be around 10Me. In standard calculations of the critical core mass, planetesimal accretion deposits enough heat to alter the luminosity of the atmosphere, increasing the core mass required for the atmosphere to collapse. In this study we consider the limiting case in which planetesimal accretion is negligible and Kelvin-Helmholtz contraction dominates the luminosity evolution of the planet. We develop a two-layer atmosphere model with an inner convective region and an outer radiative zone that matches onto the protoplanetary disk, and we determine the minimum core mass for a giant planet to form within the typical disk lifetime for a variety of disk conditions. We denote this mass as critical core mass. The absolute minimum core mass required to nucleate atmosphere collapse is ˜ 8Me at 5 AU and steadily decreases to ˜ 3.5Me at 100 AU, for an ideal diatomic gas with a solar composition and a standard ISM opacity law. Lower opacity and disk temperature significantly reduce the critical core mass, while a decrease in the mean molecular weight of the nebular gas results in a larger critical core mass. Our results yield lower mass cores than corresponding studies for large planetesimal accretion rates.

Shivering heat production and body fat protect the core from cooling during body immersion, but not during head submersion: a structural equation model.

PubMed

Pretorius, Thea; Lix, Lisa; Giesbrecht, Gordon

2011-03-01

Previous studies showed that core cooling rates are similar when only the head or only the body is cooled. Structural equation modeling was used on data from two cold water studies involving body-only, or whole body (including head) cooling. Exposure of both the body and head increased core cooling, while only body cooling elicited shivering. Body fat attenuates shivering and core cooling. It is postulated that this protection occurs mainly during body cooling where fat acts as insulation against cold. This explains why head cooling increases surface heat loss with only 11% while increasing core cooling by 39%. Copyright © 2011 Elsevier Ltd. All rights reserved.

The design of multi-core DSP parallel model based on message passing and multi-level pipeline

NASA Astrophysics Data System (ADS)

Niu, Jingyu; Hu, Jian; He, Wenjing; Meng, Fanrong; Li, Chuanrong

2017-10-01

Currently, the design of embedded signal processing system is often based on a specific application, but this idea is not conducive to the rapid development of signal processing technology. In this paper, a parallel processing model architecture based on multi-core DSP platform is designed, and it is mainly suitable for the complex algorithms which are composed of different modules. This model combines the ideas of multi-level pipeline parallelism and message passing, and summarizes the advantages of the mainstream model of multi-core DSP (the Master-Slave model and the Data Flow model), so that it has better performance. This paper uses three-dimensional image generation algorithm to validate the efficiency of the proposed model by comparing with the effectiveness of the Master-Slave and the Data Flow model.

Research Perspectives on Core French: A Literature Review

ERIC Educational Resources Information Center

Lapkin, Sharon; Mady, Callie; Arnott, Stephanie

2009-01-01

This article reviews the research literature on core French in three main areas: student diversity, delivery models for the core French program, and instructional approaches. These topics are put into context through a discussion of studies on community attitudes to French as a second language (FSL), dissatisfaction with core French outcomes and…

Generating unstructured nuclear reactor core meshes in parallel

DOE PAGES

Jain, Rajeev; Tautges, Timothy J.

2014-10-24

Recent advances in supercomputers and parallel solver techniques have enabled users to run large simulations problems using millions of processors. Techniques for multiphysics nuclear reactor core simulations are under active development in several countries. Most of these techniques require large unstructured meshes that can be hard to generate in a standalone desktop computers because of high memory requirements, limited processing power, and other complexities. We have previously reported on a hierarchical lattice-based approach for generating reactor core meshes. Here, we describe efforts to exploit coarse-grained parallelism during reactor assembly and reactor core mesh generation processes. We highlight several reactor coremore » examples including a very high temperature reactor, a full-core model of the Korean MONJU reactor, a ¼ pressurized water reactor core, the fast reactor Experimental Breeder Reactor-II core with a XX09 assembly, and an advanced breeder test reactor core. The times required to generate large mesh models, along with speedups obtained from running these problems in parallel, are reported. A graphical user interface to the tools described here has also been developed.« less

Core layering

NASA Astrophysics Data System (ADS)

Jacobson, S. A.; Rubie, D. C.; Hernlund, J. W.; Morbidelli, A.

2015-12-01

We have created a planetary accretion and differentiation model that self-consistently builds and evolves Earth's core. From this model, we show that the core grows stably stratified as the result of rising metal-silicate equilibration temperatures and pressures, which increases the concentrations of light element impurities into each newer core addition. This stable stratification would naturally resist convection and frustrate the onset of a geodynamo, however, late giant impacts could mechanically mix the distinct accreted core layers creating large homogenous regions. Within these regions, a geodynamo may operate. From this model, we interpret the difference between the planetary magnetic fields of Earth and Venus as a difference in giant impact histories. Our planetary accretion model is a numerical N-body integration of the Grand Tack scenario [1]—the most successful terrestrial planet formation model to date [2,3]. Then, we take the accretion histories of Earth-like and Venus-like planets from this model and post-process the growth of each terrestrial planet according to a well-tested planetary differentiation model [4,5]. This model fits Earth's mantle by modifying the oxygen content of the pre-cursor planetesimals and embryos as well as the conditions of metal-silicate equilibration. Other non-volatile major, minor and trace elements included in the model are assumed to be in CI chondrite proportions. The results from this model across many simulated terrestrial planet growth histories are robust. If the kinetic energy delivered by larger impacts is neglected, the core of each planet grows with a strong stable stratification that would significantly impede convection. However, if giant impact mixing is very efficient or if the impact history delivers large impacts late, than the stable stratification can be removed. [1] Walsh et al. Nature 475 (2011) [2] O'Brien et al. Icarus 223 (2014) [3] Jacobson & Morbidelli PTRSA 372 (2014) [4] Rubie et al. EPSL 301 (2011) [5] Rubie et al. Icarus 248 (2015)

Photoelastic stress analysis of different prefabricated post-and-core materials.

PubMed

Asvanund, Pattapon; Morgano, Steven M

2011-01-01

The purpose of this study was to investigate stress developed by a combination of a stainless steel post or a fiber-reinforced resin post with a silver amalgam core or a composite resin core. Two-dimensional photoelastic models were used to simulate root dentin. Posts (ParaPost XT and ParaPost-FiberWhite) were cemented with a luting agent (RelyX Unicem). Silver amalgam cores and composite resin cores were fabricated on the posts. Complete crowns were fabricated and cemented on the cores. Each model was analyzed with 2 force magnitudes and in 2 directions. Fringe orders were recorded and compared using ANOVA (p=0.05) and the Scheffe's test. With vertical force, no stress differences occurred among the 4 groups (p=0.159). With a 30-degree force, there was stress differences among the 4 groups (p<0.001). The combination of a fiber-reinforced post and composite resin core could potentially reduce stresses within the radicular dentin when angled loads are applied.

Measurement and simulation of thermal neutron flux distribution in the RTP core

NASA Astrophysics Data System (ADS)

Rabir, Mohamad Hairie B.; Jalal Bayar, Abi Muttaqin B.; Hamzah, Na'im Syauqi B.; Mustafa, Muhammad Khairul Ariff B.; Karim, Julia Bt. Abdul; Zin, Muhammad Rawi B. Mohamed; Ismail, Yahya B.; Hussain, Mohd Huzair B.; Mat Husin, Mat Zin B.; Dan, Roslan B. Md; Ismail, Ahmad Razali B.; Husain, Nurfazila Bt.; Jalil Khan, Zareen Khan B. Abdul; Yakin, Shaiful Rizaide B. Mohd; Saad, Mohamad Fauzi B.; Masood, Zarina Bt.

2018-01-01

The in-core thermal neutron flux distribution was determined using measurement and simulation methods for the Malaysian’s PUSPATI TRIGA Reactor (RTP). In this work, online thermal neutron flux measurement using Self Powered Neutron Detector (SPND) has been performed to verify and validate the computational methods for neutron flux calculation in RTP calculations. The experimental results were used as a validation to the calculations performed with Monte Carlo code MCNP. The detail in-core neutron flux distributions were estimated using MCNP mesh tally method. The neutron flux mapping obtained revealed the heterogeneous configuration of the core. Based on the measurement and simulation, the thermal flux profile peaked at the centre of the core and gradually decreased towards the outer side of the core. The results show a good agreement (relatively) between calculation and measurement where both show the same radial thermal flux profile inside the core: MCNP model over estimation with maximum discrepancy around 20% higher compared to SPND measurement. As our model also predicts well the neutron flux distribution in the core it can be used for the characterization of the full core, that is neutron flux and spectra calculation, dose rate calculations, reaction rate calculations, etc.

Exploiting the functional and taxonomic structure of genomic data by probabilistic topic modeling.

PubMed

Chen, Xin; Hu, Xiaohua; Lim, Tze Y; Shen, Xiajiong; Park, E K; Rosen, Gail L

2012-01-01

In this paper, we present a method that enable both homology-based approach and composition-based approach to further study the functional core (i.e., microbial core and gene core, correspondingly). In the proposed method, the identification of major functionality groups is achieved by generative topic modeling, which is able to extract useful information from unlabeled data. We first show that generative topic model can be used to model the taxon abundance information obtained by homology-based approach and study the microbial core. The model considers each sample as a “document,” which has a mixture of functional groups, while each functional group (also known as a “latent topic”) is a weight mixture of species. Therefore, estimating the generative topic model for taxon abundance data will uncover the distribution over latent functions (latent topic) in each sample. Second, we show that, generative topic model can also be used to study the genome-level composition of “N-mer” features (DNA subreads obtained by composition-based approaches). The model consider each genome as a mixture of latten genetic patterns (latent topics), while each functional pattern is a weighted mixture of the “N-mer” features, thus the existence of core genomes can be indicated by a set of common N-mer features. After studying the mutual information between latent topics and gene regions, we provide an explanation of the functional roles of uncovered latten genetic patterns. The experimental results demonstrate the effectiveness of proposed method.

LPV gain-scheduled control of SCR aftertreatment systems

NASA Astrophysics Data System (ADS)

Meisami-Azad, Mona; Mohammadpour, Javad; Grigoriadis, Karolos M.; Harold, Michael P.; Franchek, Matthew A.

2012-01-01

Hydrocarbons, carbon monoxide and some of other polluting emissions produced by diesel engines are usually lower than those produced by gasoline engines. While great strides have been made in the exhaust aftertreatment of vehicular pollutants, the elimination of nitrogen oxide (NO x ) from diesel vehicles is still a challenge. The primary reason is that diesel combustion is a fuel-lean process, and hence there is significant unreacted oxygen in the exhaust. Selective catalytic reduction (SCR) is a well-developed technology for power plants and has been recently employed for reducing NO x emissions from automotive sources and in particular, heavy-duty diesel engines. In this article, we develop a linear parameter-varying (LPV) feedforward/feedback control design method for the SCR aftertreatment system to decrease NO x emissions while keeping ammonia slippage to a desired low level downstream the catalyst. The performance of the closed-loop system obtained from the interconnection of the SCR system and the output feedback LPV control strategy is then compared with other control design methods including sliding mode, and observer-based static state-feedback parameter-varying control. To reduce the computational complexity involved in the control design process, the number of LPV parameters in the developed quasi-LPV (qLPV) model is reduced by applying the principal component analysis technique. An LPV feedback/feedforward controller is then designed for the qLPV model with reduced number of scheduling parameters. The designed full-order controller is further simplified to a first-order transfer function with a parameter-varying gain and pole. Finally, simulation results using both a low-order model and a high-fidelity and high-order model of SCR reactions in GT-POWER interfaced with MATLAB/SIMULINK illustrate the high NO x conversion efficiency of the closed-loop SCR system using the proposed parameter-varying control law.

Probability modeling of the number of positive cores in a prostate cancer biopsy session, with applications.

PubMed

Serfling, Robert; Ogola, Gerald

2016-02-10

Among men, prostate cancer (CaP) is the most common newly diagnosed cancer and the second leading cause of death from cancer. A major issue of very large scale is avoiding both over-treatment and under-treatment of CaP cases. The central challenge is deciding clinical significance or insignificance when the CaP biopsy results are positive but only marginally so. A related concern is deciding how to increase the number of biopsy cores for larger prostates. As a foundation for improved choice of number of cores and improved interpretation of biopsy results, we develop a probability model for the number of positive cores found in a biopsy, given the total number of cores, the volumes of the tumor nodules, and - very importantly - the prostate volume. Also, three applications are carried out: guidelines for the number of cores as a function of prostate volume, decision rules for insignificant versus significant CaP using number of positive cores, and, using prior distributions on total tumor size, Bayesian posterior probabilities for insignificant CaP and posterior median CaP. The model-based results have generality of application, take prostate volume into account, and provide attractive tradeoffs of specificity versus sensitivity. Copyright © 2015 John Wiley & Sons, Ltd. Copyright © 2015 John Wiley & Sons, Ltd.

Structure, Dynamics, and Deuterium Fractionation of Massive Pre-stellar Cores

NASA Astrophysics Data System (ADS)

Goodson, Matthew D.; Kong, Shuo; Tan, Jonathan C.; Heitsch, Fabian; Caselli, Paola

2016-12-01

High levels of deuterium fraction in N2H+ are observed in some pre-stellar cores. Single-zone chemical models find that the timescale required to reach observed values ({D}{frac}{{{N}}2{{{H}}}+}\\equiv {{{N}}}2{{{D}}}+/{{{N}}}2{{{H}}}+≳ 0.1) is longer than the free-fall time, possibly 10 times longer. Here, we explore the deuteration of turbulent, magnetized cores with 3D magnetohydrodynamics simulations. We use an approximate chemical model to follow the growth in abundances of N2H+ and N2D+. We then examine the dynamics of the core using each tracer for comparison to observations. We find that the velocity dispersion of the core as traced by N2D+ appears slightly sub-virial compared to predictions of the Turbulent Core Model of McKee & Tan, except at late times just before the onset of protostar formation. By varying the initial mass surface density, the magnetic energy, the chemical age, and the ortho-to-para ratio of H2, we also determine the physical and temporal properties required for high deuteration. We find that low initial ortho-to-para ratios (≲ 0.01) and/or multiple free-fall times (≳ 3) of prior chemical evolution are necessary to reach the observed values of deuterium fraction in pre-stellar cores.

Misfit stresses in a composite core-shell nanowire with an eccentric parallelepipedal core subjected to one-dimensional cross dilatation eigenstrain

NASA Astrophysics Data System (ADS)

Krasnitckii, S. A.; Kolomoetc, D. R.; Smirnov, A. M.; Gutkin, M. Yu

2017-05-01

The boundary-value problem in the classical theory of elasticity for a core-shell nanowire with an eccentric parallelepipedal core of an arbitrary rectangular cross section is solved. The core is subjected to one-dimensional cross dilatation eigenstrain. The misfit stresses are given in a closed analytical form suitable for theoretical modeling of misfit accommodation in relevant heterostructures.

Steady-state, lumped-parameter model for capacitor-run, single-phase induction motors

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

Umans, S.D.

1996-01-01

This paper documents a technique for deriving a steady-state, lumped-parameter model for capacitor-run, single-phase induction motors. The objective of this model is to predict motor performance parameters such as torque, loss distribution, and efficiency as a function of applied voltage and motor speed as well as the temperatures of the stator windings and of the rotor. The model includes representations of both the main and auxiliary windings (including arbitrary external impedances) and also the effects of core and rotational losses. The technique can be easily implemented and the resultant model can be used in a wide variety of analyses tomore » investigate motor performance as a function of load, speed, and winding and rotor temperatures. The technique is based upon a coupled-circuit representation of the induction motor. A notable feature of the model is the technique used for representing core loss. In equivalent-circuit representations of transformers and induction motors, core loss is typically represented by a core-loss resistance in shunt with the magnetizing inductance. In order to maintain the coupled-circuit viewpoint adopted in this paper, this technique was modified slightly; core loss is represented by a set of core-loss resistances connected to the ``secondaries`` of a set of windings which perfectly couple to the air-gap flux of the motor. An example of the technique is presented based upon a 3.5 kW, single-phase, capacitor-run motor and the validity of the technique is demonstrated by comparing predicted and measured motor performance.« less

Research on Shock Responses of Three Types of Honeycomb Cores

NASA Astrophysics Data System (ADS)

Peng, Fei; Yang, Zhiguang; Jiang, Liangliang; Ren, Yanting

2018-03-01

The shock responses of three kinds of honeycomb cores have been investigated and analyzed based on explicit dynamics analysis. According to the real geometric configuration and the current main manufacturing methods of aluminum alloy honeycomb cores, the finite element models of honeycomb cores with three different cellular configurations (conventional hexagon honeycomb core, rectangle honeycomb core and auxetic honeycomb core with negative Poisson’s ratio) have been established through FEM parametric modeling method based on Python and Abaqus. In order to highlight the impact response characteristics of the above three honeycomb cores, a 5 mm thick panel with the same mass and material was taken as contrast. The analysis results showed that the peak values of longitudinal acceleration history curves of the three honeycomb cores were lower than those of the aluminum alloy panel in all three reference points under the loading of a longitudinal pulse pressure load with the peak value of 1 MPa and the pulse width of 1 μs. It could be concluded that due to the complex reflection and diffraction of stress wave induced by shock in honeycomb structures, the impact energy was redistributed which led to a decrease in the peak values of the longitudinal acceleration at the measuring points of honeycomb cores relative to the panel.

Update to core reporting practices in structural equation modeling.

PubMed

Schreiber, James B

This paper is a technical update to "Core Reporting Practices in Structural Equation Modeling." 1 As such, the content covered in this paper includes, sample size, missing data, specification and identification of models, estimation method choices, fit and residual concerns, nested, alternative, and equivalent models, and unique issues within the SEM family of techniques. Copyright © 2016 Elsevier Inc. All rights reserved.

A laboratory model for solidification of Earth's core

NASA Astrophysics Data System (ADS)

Bergman, Michael I.; Macleod-Silberstein, Marget; Haskel, Michael; Chandler, Benjamin; Akpan, Nsikan

2005-11-01

To better understand the influence of rotating convection in the outer core on the solidification of the inner core we have constructed a laboratory model for solidification of Earth's core. The model consists of a 15 cm radius hemispherical acrylic tank concentric with a 5 cm radius hemispherical aluminum heat exchanger that serves as the incipient inner core onto which we freeze ice from salt water. Long exposure photographs of neutrally buoyant particles in illuminated planes suggest reduction of flow parallel to the rotation axis. Thermistors in the tank near the heat exchanger show that in experiments with rotation the temperature near the pole is lower than near the equator, unlike for control experiments without rotation or with a polymer that increases the fluid viscosity. The photographs and thermistors suggest that our observation that ice grows faster near the pole than near the equator for experiments with rotation is a result of colder water not readily convecting away from the pole. Because of the reversal of the thermal gradient, we expect faster equatorial solidification in the Earth's core. Such anisotropy in solidification has been suggested as a cause of inner core elastic (and attenuation) anisotropy, though the plausibility of this suggestion will depend on the core Nusselt number and the slope of the liquidus, and the effects of post-solidification deformation. Previous experiments on hexagonal close-packed alloys such as sea ice and zinc-tin have shown that fluid flow in the melt can result in a solidification texture transverse to the solidification direction, with the texture depending on the nature of the flow. A comparison of the visualized flow and the texture of columnar ice crystals in thin sections from these experiments confirms flow-induced transverse textures. This suggests that the convective pattern at the base of the outer core is recorded in the texture of the inner core, and that outer core convection might contribute to the complexity in the seismically inferred pattern of anisotropy in the Earth's inner core.

X-ray and Sunyaev-Zel'dovich Effect Measurements of the Gas Mass Fraction in Galaxy Clusters

NASA Technical Reports Server (NTRS)

LaRoque, Samuel J.; Bonamente, Massimiliano; Carlstrom, John E.; Joy, Marshall K.; Nagai, Daisuke; Reese, Erik D.; Dawson, Kyle S.

2006-01-01

We present gas mass fractions of 38 massive galaxy clusters spanning redshifts from 0.14 to 0.89, derived from Chandra X-ray data and OVRO/BIMA interferometric Sunyaev-Zel' dovich Effect (SZE) measurements. We use three models for the gas distribution: (1) an isothermal Beta-model fit jointly to the X-ray data at radii beyond 100 kpc and to all of the SZE data, (2) a nonisothermal double Beta-model fit jointly to all of the X-ray and SZE data, and (3) an isothermal Beta-model fit only to the SZE spatial data. We show that the simple isothermal model well characterizes the intracluster medium (ICM) outside of the cluster core, and provides consistently good fits to clusters spanning a wide range of morphological properties. The agreement in the results shows that the core can be satisfactorily accounted for by either excluding the core in fits to the X-ray data (the 100 kpc-cut model) or modeling the intracluster gas with a non-isothermal double Beta-model. We find that the SZE is largely insensitive to structure in the core.

Climate Simulations with an Isentropic Finite Volume Dynamical Core

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

Chen, Chih-Chieh; Rasch, Philip J.

2012-04-15

This paper discusses the impact of changing the vertical coordinate from a hybrid pressure to a hybrid-isentropic coordinate within the finite volume dynamical core of the Community Atmosphere Model (CAM). Results from a 20-year climate simulation using the new model coordinate configuration are compared to control simulations produced by the Eulerian spectral and FV dynamical cores of CAM which both use a pressure-based ({sigma}-p) coordinate. The same physical parameterization package is employed in all three dynamical cores. The isentropic modeling framework significantly alters the simulated climatology and has several desirable features. The revised model produces a better representation of heatmore » transport processes in the atmosphere leading to much improved atmospheric temperatures. We show that the isentropic model is very effective in reducing the long standing cold temperature bias in the upper troposphere and lower stratosphere, a deficiency shared among most climate models. The warmer upper troposphere and stratosphere seen in the isentropic model reduces the global coverage of high clouds which is in better agreement with observations. The isentropic model also shows improvements in the simulated wintertime mean sea-level pressure field in the northern hemisphere.« less

DNA compaction by poly (amido amine) dendrimers of ammonia cored and ethylene diamine cored

NASA Astrophysics Data System (ADS)

Qamhieh, K.; Al-Shawwa, J.

2017-06-01

The complexes build-up of DNA and soft particles poly amidoamine (PAMAM) dendrimers of ammonia cored of generations (G1-G6) and ethylenediamine cored of generations (G1-G10) have been studied, using a new theoretical model developed by Qamhieh and coworkers. The model describes the interaction between linear polyelectrolyte (LPE) chain and ion-penetrable spheres. Many factors affecting LPE/dendrimer complex have been investigated such as dendrimer generation, the Bjerrum length, salt concentration, and rigidity of the LPE chain represented by the persistence length. It is found that the wrapping chain length around dendrimer increases by increasing dendrimer`s generation, Bjerrum length, and salt concentration, while decreases by increasing the persistence length of the LPE chain. Also we can conclude that the wrapping length of LPE chain around ethylenediamine cored dendrimers is larger than its length around ammonia cored dendrimers.

Martian interior structure models with different crustal density

NASA Astrophysics Data System (ADS)

Gudkova, T. V.; Zharkov, V. N.

2007-08-01

The information necessary to construct a model of Mars (observation data, a choice of a chemical model, a cosmogonic aspect of the problem) is discussed. We consider an interior structure model which comprises four submodels - a model of the outer porous layer, a model of the crust, a model of the mantle and a model of the core. The first 10-11 km layer is considered as an averaged transition from regolith to consolidated rock. The mineral composition of the crustal basaltic rock varies with depth because of the gabbro-eclogite phase transition. Mineralogical and seismic models of the Martian crust were constructed by numerical thermodynamic simulation by Babeiko and Zharkov (2000). For the obtained from this simulation densities at the crust-mantle boundary (about 3.3-3.4 g/cm3) a density contrast between the crust and the mantle is low enough. However, the joint interpretation of gravity and topography data assumes that there is a noticeable density jump at the crust-mantle boundary. As discussed by many authors a plausible range of bulk crustal densities is from 2.7 to 3.1 g/ cm3. It can be interpreted as either the composition of rocks at the surface of Mars is somewhat different than those of the Martian basaltic meteorites or a certain amount of crustal porosity might be expected if water (or some other substances) is present in the subsurface. Assuming a range of crustal densities (2.7-3.2 g/cm3) and the average thickness of the martian crust of 50 and 100 km we have recalculated a set of interior structure models of Mars to determine this effect on the other model parameters. The models are stronly constrained by new values of Love number k2 and the mean moment of inertia have been derived by Konopliv et al. (2006). The inferred radius of Martian core (from the Love number k2) is between 1700 and 1800 km. Keeping in mind that the estimated value of the correction introduced to the Love number k2 due to the inelasticity of the interior can be both somewhat higher (~ 0.005) or slightly lower (~ 0.003) we have the inferred model radius of Martian core between 1650 and 1830 km. As the radius of the core is increasing two tendencies are seen: the density of the core is decreasing and the Fe/Si weight ratio is approaching to its chondritic value 1.7. From cosmochemical point of view, it is difficult to assume that the core contains more than 20 wt % of sulfur. The radius of such core is about 1600 km. Therefore, if the core of Mars turns out to be larger, it should contain some light admixture elements.

Modeling of water isotopes in polar regions and application to ice core studies

NASA Astrophysics Data System (ADS)

Jouzel, J.

2012-04-01

Willi Dansgaard spear-headed the use of the stable isotopes of water in climatology and palaeoclimatology especially as applied to deep ice cores for which measurements of the oxygen and hydrogen isotope ratios remain the key tools for reconstructing continuous palaeotemperature records. In the line of his pioneering work on "Stable isotopes in precipitation" published in Tellus in 1964, I will review how isotopic models, either Rayleigh type or based on the implementation of water isotopes in General Circulation Models, have developed and been used for applications in polar ice core studies. This will include a discussion of the conventional approach for interpreting water isotopes in ice cores and of additional information provided by measurements of the deuterium excess and more recently of the 17O-excess.

Experimental study of carbonate formation in oceanic peridotite

NASA Astrophysics Data System (ADS)

Grozeva, Niya G.; Klein, Frieder; Seewald, Jeffrey S.; Sylva, Sean P.

2017-02-01

Interactions of CO2-rich aqueous fluids with mantle peridotite have major implications for geochemical budgets and microbial life in the shallow oceanic lithosphere through the formation of carbonate minerals and reduced carbon species. However, the underlying mechanisms controlling the transformation of CO2 to carbonates in ultramafic-hosted hydrothermal systems remain incompletely understood. A long-term laboratory experiment was conducted at 300 °C and 35 MPa to investigate serpentinization and carbonate formation pathways during hydrothermal alteration of peridotite. Powdered harzburgite was initially reacted with a Ca-rich aqueous fluid for 14,592 h (608 days) and changes in fluid composition were monitored with time. Once the system reached a steady state, a CO2(aq)-rich fluid was injected and allowed to react with the system for 5907 h (246 days). Fluid speciation and mineral analyses suggest that serpentinization of harzburgite in the CO2-poor system led to the precipitation of serpentine, brucite, magnetite, and minor calcite, in addition to other minor phases including chlorite and sulfur-poor Ni sulfides. The addition of the CO2(aq)-rich fluid caused dolomite, Ca-rich dolomite, and high-Mg calcite to form at the expense of olivine, calcite, and brucite, while serpentine remained unreactive. Replacement textures and mineral assemblages mimic those documented in carbonate-altered seafloor serpentinites, particularly those from the Mid-Atlantic Ridge and the Iberia Margin. In contrast to thermodynamic predictions, magnesite did not form in the experiment because the dissolution of clinopyroxene, in combination with the lack of serpentine reactivity, maintained low Mg/Ca ratios in solution. Clinopyroxene dissolution and unreactive serpentine may similarly maintain low Mg/Ca ratios in submarine serpentinization systems and limit magnesite formation in subseafloor environments. Results of this study suggest that the formation of Ca-Mg carbonates by mineral carbonation is favorable in subseafloor serpentinization systems and likely represents a significant, but poorly quantified, carbon sink in hydrothermally altered oceanic lithosphere at slow-spreading mid-ocean ridges.

Immune-unreactive urinary albumin as a predictor of cardiovascular events: the Hortega Study.

PubMed

Martínez, Fernando; Pichler, Gernot; Ruiz, Adrian; Martín-Escudero, Juan C; Chaves, Felipe J; Gonzalez-Albert, Veronica; Tellez-Plaza, Maria; Heerspink, Hiddo J L; Zeeuw, Dick D E; Redon, Josep

2018-05-16

We aimed to determine if immune-unreactive albumin excretion (IURAE) is associated with cardiovascular (CV) events in a representative sample of a general population from Spain. We included 1297 subjects (mean age ± standard error 48.0 ± 0.2 years, 48% females), who participated in the Hortega Follow-Up Study. The primary endpoint was incidence of fatal and non-fatal CV events. Urinary albumin excretion (UAE) was measured in spot voided urine, frozen at -80°C, by immunonephelometry [immune-reactive albumin excretion (IRAE)] and by high-performance liquid chromatography (HPLC) [total albumin excretion (AE)]. IURAE was calculated as the difference between HPLC measurements and IRAE. We estimated fully adjusted hazard ratios (HRs) of CV incidence by Cox regression for IRAE, IURAE and total AE. After an average at-risk follow-up of 13 years, we observed 172 CV events. urinary albumin to creatinine ratio (UACR) of ≥30 mg/g assessed by IRAE, IURAE or total AE concentrations was observed in 74, 273 and 417 participants, respectively. Among discordant pairs, there were 49 events in those classified as micro- and macroalbuminuric by IURAE, but normoalbuminuric by IRAE. Only the IRAE was a significant independent factor for the incidence of CV events [HR (95% confidence interval) 1.15 (1.04-1.27)]. The association of UAE with CV events was mainly driven by heart failure (HF) [HR 1.33 (1.15-1.55) for IRAE; HR 1.38 (1.06-1.79) for IURAE; HR 1.62 (1.22-2.13) for total AE]. Those subjects who were micro- and macroalbuminuric by both IRAE and IURAE had a significant increase in risk for any CV event, and especially for HF. IRAE, IURAE and AE were associated with an increased risk for CV events, but IRAE offered better prognostic assessment.

Setting of commercial glass ionomer cement Fuji IX by (27)Al and (19)F MAS-NMR.

PubMed

Munhoz, Tais; Karpukhina, Natalia; Hill, Robert G; Law, Robert V; De Almeida, L H

2010-04-01

To investigate the long term setting reaction in the glass ionomer restorative, Fuji IX, by monitoring the structural evolution of aluminium and fluorine species using (27)Al and (19)F MAS-NMR spectroscopy. Fuji IX cements aged from 5min up to 3 months were prepared according to the manufacturer instructions from the commercial material. The (27)Al and (19)F MAS-NMR studies were carried out on powders made after terminating the setting reaction. (27)Al MAS-NMR results show conversion of aluminium from the glass phase, where it has coordination number four, Al(IV), into the cement matrix where it has a coordination number of six, Al(VI). At least two different Al(VI) species were detected at short ageing time cements. Assignment of these species is discussed and compared with the data from other sources. The possibility for a condensed aluminium species [Al(13)(OH)(24)(H(2)O)(12)](7+) to form is considered. The ratio of aluminium in the cement, Al(VI), to the remaining unreacted in glass has been evaluated by deconvolution of the spectra. Various theoretical ratios of aluminium species in the cement matrix to the unreacted ones remaining in glass have been estimated. The (19)F MAS-NMR spectra are identical for the glass and cements at the early times and contain a dominant signal assigned to Al-F-Sr(n). The data confirms that the conversion of aluminium is a diffusion-controlled process at early stage less than 1h and it is largely complete between 1 and 6h. The comparison with the experimental data shows that the majority of aluminium cations do not form tricarboxylates but are coordinated with one or two carboxylic groups and other ligands. Insufficient amount of water and excess of glass in this cement formulation affect glass degradation mechanism. Crown Copyright 2009. Published by Elsevier Ltd. All rights reserved.

Performance measurements of a pilot superconducting solenoid model core for a wind tunnel magnetic suspension and balance system

NASA Technical Reports Server (NTRS)

Goodyer, M. J.; Britcher, C. P.

1983-01-01

The results of experimental demonstrations of a superconducting solenoid model core in the Southampton University Magnetic Suspension and Balance System are detailed. Technology and techniques relevant to large-scale wind tunnel MSBSs comprise the long term goals. The magnetic moment of solenoids, difficulties peculiar to superconducting solenoid cores, lift force and pitching moment, dynamic lift calibration, and helium boil-off measurements are discussed.