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Sample records for dioxide powder structure

  1. Manufacture of uranium dioxide powder

    International Nuclear Information System (INIS)

    Becker, M.

    1976-01-01

    Uranium dioxide powder is prepared by the AUC (ammonium uranyl carbonate) method. Supplementing the known process steps, the AUC, after separation from the mother liquor, is washed with an ammonium hydrogen carbonate or an NH 4 OH solution and is subsequently post-treated with a liquid which reduces the surface tension of the residual water in an AUC. Such a liquid is, for instance, alcohol

  2. Uranium Dioxide Powder Flow ability Improvement Using Sol-Gel

    International Nuclear Information System (INIS)

    Juanda, D.; Sambodo Daru, G.

    1998-01-01

    The improvement of flow ability characteristics of uranium dioxide powder has been done using sol-gel process. To anticipate a pellet mass production with uniform pellet dimension, the uranium dioxide powder must be have a spherical form. Uranium dioxide spherical powder has been diluted in acid transformed into sol colloidal solution. To obtain uranium dioxide spherical form, the uranium sol-colloidal solution has been dropped in a hot paraffin ( at the temperature of 90 0 C) to form gelatinous colloid and then dried at 800 0 C, and sintered at the temperature of 1700 0 C. The flow ability of spherical uranium dioxide powder has been examined by using Flowmeter Hall (ASTM. B. 213-46T). The measurement result reveals that the spherical uranium dioxide powder has a flow ability twice than that of unprocessed uranium dioxide powder

  3. Erosion of common structural materials and the degradation of suspended particles in flowing suspension of graphite powder in carbon dioxide gas

    International Nuclear Information System (INIS)

    Garton, D.A.; Hawes, R.I.; Rose, P.W.

    1968-06-01

    Experiments have been performed to examine the erosion of common materials of construction by a flowing suspension of graphite powder in carbon dioxide gas and the degradation of the graphite powder in the suspension. The suspension was circulated through a stainless steel loop at a pressure of 200 p.s.i.g. and bulk fluid temperature of 100-150 deg. C. No change in the weight of pins of mild steel, stainless steel and zircaloy, which were placed across the flow stream in a region where the velocity approached 100 ft./sec, could be detected after 350 hours of circulation. Examination of micro-photographs of the cross sections of the specimens showed no change in the structure of the metals. Considerable erosion of graphite pins producing a 6% decrease in the weight was observed under similar conditions. Detailed spectrographic analysis of the suspended powder taken at various times during the experiment showed no noticeable increase in the impurity content which could be attributed to erosion of the test specimens. A considerable increase in the tungsten, tin and cobalt concentration was observed and this is attributed to wear of the pump seal surfaces. The mean particle size of the suspended graphite powder was observed to decrease rapidly from 5 microns to 3 microns after only a few hours of circulation in the loop. After this initial period there was little further change in the particle size, the mean diameter being 2.85 microns after 167 hours of circulation. (author)

  4. Studies on the sintering behaviour of uranium dioxide powder compacts

    International Nuclear Information System (INIS)

    Das, P.; Chowdhury, R.

    1988-01-01

    Uranium dioxide fuel pellets are normally made from their precursor ammonium diuranate, followed by calcination, subsequent reduction to sinterable grade powders and a post operation treatment of pressing and sintering. The low temperature calcined powders, usually exhibiting non-crystalline behaviour (under X-ray diffraction studies) progressively transforms into a crystalline variety on subsequent heat treatment at higher temperature. It is observed however that powders calcined between 800 to 900 0 C exhibit enhanced densification behaviour when sintered at higher temperatures. The isothermal shrinkage versus time plot of the sintered compacts are well described by a hyperbolic relationship which takes care of the observed shrinkage (λ) as caused due to a cumulative effect from the initial sintering of the powder compacts at zero time (α) and that caused due to the structural transformation from a non-crystalline modification with increased thermal treatment (β). The derived equation is a modification of the sintering mechanism of the viscous flow type proposed by Frenkel, involving sintering of an amorphous phase, the viscosity of the latter is presumed to increase with increasing thermal treatment to assume the final modified form as λ=t/(α+βt), where t = time, λ = shrinkage and α and β are the unknown parameters. (orig.)

  5. Gas adsorption during storage of plutonium dioxide powders

    International Nuclear Information System (INIS)

    Cuillerdier, C.; Cossonnet, C.; Germain, M.

    1984-10-01

    Adsorption phenomena occuring in plutonium dioxide containers are studied for the determination of safe conditions for storage and transportation of plutonium dioxide powders. Adsorption on dried PuO 2 of air individual gases, influence of powder isotopic composition, chemisorption, effect of moisture are determined. Adsorption of dry air obeys an Elovich's law for its kinetics it is greatly exchange by α radiolysis. Pressure in the container can be reduced by storage under dry inert gas (Ar), decreasing the PuO 2 load and using powder containing preadsorbed water or wet air then radiolysis may occur (H 2 formation)

  6. Doped titanium dioxide nanocrystalline powders with high photocatalytic activity

    International Nuclear Information System (INIS)

    Castro, A.L.; Nunes, M.R.; Carvalho, M.D.; Ferreira, L.P.; Jumas, J.-C.; Costa, F.M.; Florencio, M.H.

    2009-01-01

    Doped titanium dioxide nanopowders (M:TiO 2 ; M=Fe, Co, Nb, Sb) with anatase structure were successfully synthesized through an hydrothermal route preceded by a precipitation doping step. Structural and morphological characterizations were performed by powder XRD and TEM. Thermodynamic stability studies allowed to conclude that the anatase structure is highly stable for all doped TiO 2 prepared compounds. The photocatalytic efficiency of the synthesized nanopowders was tested and the results showed an appreciable enhancement in the photoactivity of the Sb:TiO 2 and Nb:TiO 2 , whereas no photocatalytic activity was detected for the Fe:TiO 2 and Co:TiO 2 nanopowders. These results were correlated to the doping ions oxidation states, determined by Moessbauer spectroscopy and magnetization data. - Graphical abstract: Doped titanium dioxide nanopowders (M:TiO 2 ; M=Fe, Co, Nb, Sb) with highly stable anatase structure were successfully synthesized through an hydrothermal route. The photocatalytic efficiencies of the synthesized nanopowders were tested and the results show an appreciable enhancement in the photoactivity of the Sb:TiO 2 and Nb:TiO 2 .

  7. Method for preparing a sinterable uranium dioxide powder

    International Nuclear Information System (INIS)

    Thornton, T.A.; Holaday, V.D. Jr.

    1985-01-01

    This invention provides an improved method for preparing a sinterable uranium dioxide powder for the preparation of nuclear fuel, using microwave radiation in a microwave induction furnace. The starting compound may be uranyl nitrate hexahydrate, ammonium diuranate or ammonium uranyl carbonate. The starting compound is heated in a microwave induction furnace for a period of time sufficient for compound decomposition. The decomposed compound is heated in a microwave induction furnace in a reducing atmosphere for a period of time sufficient to reduce the decomposed compound to uranium dioxide powder

  8. Predictor of regulation of uranium dioxide powder pressing process

    International Nuclear Information System (INIS)

    Motta, Eduardo Souza; Araujo, Victor Hugo Leal de; Bernardelli, Sergio Henrique

    2007-01-01

    One of the most important steps of the uranium dioxide pellets fabrication used in the nuclear fuel elements is the green pellets pressing. The target density of the pellets after the sintering process determines the density of the green pellet. To meet the same sintered target density the green density may vary according to the powder characteristics. These variations implies in changing the regulation of the press for different powder's patches. The regulation done empirically imply in productivity loss and necessity of reprocessing the pellets pressed during the press regulation and also depends on the operator experience. At this work, was developed an artificial neural network feed forward back propagation to predict the press regulation, depending on the powder characteristics and the green pellet's target density. The results obtained at INB - Industrias Nucleares do Brasil S. A. during the fabrication of the fifth recharge of Angra II nuclear power plant are presented. (author)

  9. Green strength of zirconium sponge and uranium dioxide powder compacts

    International Nuclear Information System (INIS)

    Balakrishna, Palanki; Murty, B. Narasimha; Sahoo, P.K.; Gopalakrishna, T.

    2008-01-01

    Zirconium metal sponge is compacted into rectangular or cylindrical shapes using hydraulic presses. These shapes are stacked and electron beam welded to form a long electrode suitable for vacuum arc melting and casting into solid ingots. The compact electrodes should be sufficiently strong to prevent breakage in handling as well as during vacuum arc melting. Usually, the welds are strong and the electrode strength is limited by the green strength of the compacts, which constitute the electrode. Green strength is also required in uranium dioxide (UO 2 ) powder compacts, to withstand stresses during de-tensioning after compaction as well as during ejection from the die and for subsequent handling by man and machine. The strengths of zirconium sponge and UO 2 powder compacts have been determined by bending and crushing respectively, and Weibul moduli evaluated. The green density of coarse sponge compact was found to be larger than that from finer sponge. The green density of compacts from lightly attrited UO 2 powder was higher than that from unattrited category, accompanied by an improvement in UO 2 green crushing strength. The factors governing green strength have been examined in the light of published literature and experimental evidence. The methodology and results provide a basis for quality control in metal sponge and ceramic powder compaction in the manufacture of nuclear fuel

  10. Light extinction in metallic powder beds: Correlation with powder structure

    International Nuclear Information System (INIS)

    Rombouts, M.; Froyen, L.; Gusarov, A.V.; Bentefour, E.H.; Glorieux, C.

    2005-01-01

    A theoretical correlation between the effective extinction coefficient, the specific surface area, and the chord length distribution of powder beds is verified experimentally. The investigated powder beds consist of metallic particles of several tens of microns. The effective extinction coefficients are measured by a light-transmission technique at a wavelength of 540 nm. The powder structure is characterized by a quantitative image analysis of powder bed cross sections resulting in two-point correlation functions and chord length distributions. The specific surface area of the powders is estimated by laser-diffraction particle-size analysis and by the two-point correlation function. The theoretically predicted tendency of increasing extinction coefficient with specific surface area per unit void volume is confirmed by the experiments. However, a significant quantitative discrepancy is found for several powders. No clear correlation of the extinction coefficient with the powder material and particle size, and morphology is revealed, which is in line with the assumption of geometrical optics

  11. Solving Crystal Structures from Powder Diffraction Data

    DEFF Research Database (Denmark)

    Christensen, A. Nørlund; Lehmann, M. S.; Nielsen, Mogens

    1985-01-01

    High resolution powder data from both neutron and X-ray (synchrotron) sources have been used to estimate the possibility of direct structure determination from powder data. Two known structures were resolved by direct methods with neutron and X-ray data. With synchrotron X-ray data, the measured ...

  12. Superficial evolution and compacting aptitude of uranium dioxide powders

    International Nuclear Information System (INIS)

    Danroc, J.

    1982-04-01

    Long term storage of UO 2 powder improves slightly shaping and solidity of compacted powder. The aim of this work is the study of material evolution and the increase of this evolution rate for application to industrial fabrication. Aging in wet air at different temperatures is examined. Evolution of texture and superficial composition is followed. Below 80 0 C UO 3 , 2H 2 O is formed at crystal surface and thermal decomposition gives different hydrates. Kinetics of the transformation is studied. Oxidohydratation in liquid phase is rapid with hydrogen peroxide. The aged or treated material is compacted and mechanical behaviour is examined. Improvement is explained by inter-layer water molecule of the superficial hydrate giving lubricant and pseudo-plastic properties [fr

  13. Nano-scale analysis of titanium dioxide fingerprint-development powders

    International Nuclear Information System (INIS)

    Reynolds, A J; Jones, B J; Sears, V; Bowman, V

    2008-01-01

    Titanium dioxide based powders are regularly used in the development of latent fingerprints on dark surfaces. For analysis of prints on adhesive tapes, the titanium dioxide is suspended in a surfactant and used in the form of a small particle reagent (SPR). Analysis of commercially available products shows varying levels of effectiveness of print development, with some powders adhering to the background as well as the print. Scanning electron microscopy (SEM) images of prints developed with different powders show a range of levels of aggregation of particles. Analytical transmission electron microscopy (TEM) of the fingerprint powder shows TiO 2 particles with a surrounding coating, tens of nanometres thick, consisting of Al and Si rich material. X ray photoelectron spectroscopy (XPS) is used to determine the composition and chemical state of the surface of the powders; with a penetration depth of approximately 10nm, this technique demonstrates differing Ti: Al: Si ratios and oxidation states between the surfaces of different powders. Levels of titanium detected with this technique demonstrate variation in the integrity of the surface coating. The thickness, integrity and composition of the Al/Si-based coating is related to the level of aggregation of TiO 2 particles and efficacy of print development.

  14. Nano-scale analysis of titanium dioxide fingerprint-development powders

    Energy Technology Data Exchange (ETDEWEB)

    Reynolds, A J; Jones, B J [Experimental Techniques Centre, Brunei University, Kingston Lane, Uxbridge, Middlesex, UB8 3PH (United Kingdom); Sears, V; Bowman, V [Fingerprint and Footwear Forensics, Home Office Scientific Development Branch, Sandridge, St Albans, Hertfordshire, AL4 9HQ (United Kingdom)], E-mail: b.j.jones@physics.org

    2008-08-15

    Titanium dioxide based powders are regularly used in the development of latent fingerprints on dark surfaces. For analysis of prints on adhesive tapes, the titanium dioxide is suspended in a surfactant and used in the form of a small particle reagent (SPR). Analysis of commercially available products shows varying levels of effectiveness of print development, with some powders adhering to the background as well as the print. Scanning electron microscopy (SEM) images of prints developed with different powders show a range of levels of aggregation of particles. Analytical transmission electron microscopy (TEM) of the fingerprint powder shows TiO{sub 2} particles with a surrounding coating, tens of nanometres thick, consisting of Al and Si rich material. X ray photoelectron spectroscopy (XPS) is used to determine the composition and chemical state of the surface of the powders; with a penetration depth of approximately 10nm, this technique demonstrates differing Ti: Al: Si ratios and oxidation states between the surfaces of different powders. Levels of titanium detected with this technique demonstrate variation in the integrity of the surface coating. The thickness, integrity and composition of the Al/Si-based coating is related to the level of aggregation of TiO{sub 2} particles and efficacy of print development.

  15. Room-temperature ferromagnetism in cerium dioxide powders

    Energy Technology Data Exchange (ETDEWEB)

    Rakhmatullin, R. M., E-mail: rrakhmat@kpfu.ru; Pavlov, V. V.; Semashko, V. V.; Korableva, S. L. [Kazan Federal University, Institute of Physics (Russian Federation)

    2015-08-15

    Room-temperature ferromagnetism is detected in a CeO{sub 2} powder with a grain size of about 35 nm and a low (<0.1 at %) manganese and iron content. The ferromagnetism in a CeO{sub 2} sample with a submicron crystallite size and the same manganese and iron impurity content is lower than in the nanocrystalline sample by an order of magnitude. Apart from ferromagnetism, both samples exhibit EPR spectra of localized paramagnetic centers, the concentration of which is lower than 0.01 at %. A comparative analysis of these results shows that the F-center exchange (FCE) mechanism cannot cause ferromagnetism. This conclusion agrees with the charge-transfer ferromagnetism model proposed recently.

  16. Powder Neutron Diffraction and Magnetic structures

    International Nuclear Information System (INIS)

    Vigneron, F.

    1986-01-01

    The determination of the magnetic structures of materials (ferromagnetic, antiferromagnetic, helimagnetic, .) can be achieved only by neutron diffraction. A general survey of the powder technique is given: 2-axis spectrometer and analysis of the magnetic data. For the REBe/sb13/ intermetallic compounds (RE = Rare Earth), commensurate and/or incommensurate magnetic structures are observed and discussed as a function of RE (Gd, Tb, Dy, Ho, Er)

  17. Determination of trace elements in ceramic uranium dioxide pellets powders CRMs by ICP-AES

    International Nuclear Information System (INIS)

    Liu Husheng; Li Jun

    1997-01-01

    The 237-quaternary ammonium extraction resin chromatography is used to the separation of 6 trace elements in ceramic uranium dioxide pellets powders, which are used as certified reference materials (CRMs). The sample is dissolved in 6.5 mol/L HNO 3 and uranium is separated by chromatographic column. the 6 trace elements Al, Ba, Co, Ta, Ti and V contained in the elutriant are determined by using ICP directly reading spectrometer. For a 300 mg sample, the lowest determinable concentration of impurities in ceramic UO 2 pellets powders CRMs is (0.016-0.250) x 10 -6 . The relative standard deviation is less than 7.5%. The proposed method provides excellent and accurate analytical data for the ceramic UO 2 pellets powders samples (CRMs)

  18. Tungsten oxide coatings deposited by plasma spray using powder and solution precursor for detection of nitrogen dioxide gas

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Chao, E-mail: zhangc@yzu.edu.cn [College of Mechanical Engineering, Yangzhou University, Yangzhou 225127 (China); Wang, Jie [College of Mechanical Engineering, Yangzhou University, Yangzhou 225127 (China); Geng, Xin [College of Mechanical Engineering, Yangzhou University, Yangzhou 225127 (China); College of Chemistry and Chemical Engineering, Yangzhou University, Yangzhou 225002 (China)

    2016-05-25

    Increasing attention has been paid on preparation methods for resistive-type gas sensors based on semiconductor metal oxides. In this work, tungsten oxide (WO{sub 3}) coatings were prepared on alumina substrates and used as gas sensitive layers. The coatings were deposited by atmospheric plasma spray using powder, solution precursor, or a combination of both. Tungsten oxide powder through a powder port and ammonium tungstate aqueous solution through a liquid port were injected into plasma stream respectively or together to deposit WO{sub 3} coatings. Phase structures in the coatings were characterized by X-ray diffraction analyzer. The field-emission scanning electron microscopy images confirmed that the coatings were in microstructure, nanostructure or micro-nanostructure. The sensing properties of the sensors based on the coatings exposed to 1 ppm nitrogen dioxide gas were characterized in a home-made instrument. Sensing properties of the coatings were compared and discussed. The influences of gas humidity and working temperature on the sensor responses were further studied. - Highlights: • Porous gas sensitive coatings were deposited by plasma spray using powder and solution precursor. • Crystallized WO{sub 3} were obtained through hybrid plasma spray plus a pre-conditioned step. • Plasma power had an important influence on coating microstructure. • The particle size of atmospheric plasma-sprayed microstructured coating was stable. • Solution precursor plasma-sprayed WO{sub 3} coatings had nanostructure and showed good responses to 1 ppm NO{sub 2}.

  19. High Resolution Powder Diffraction and Structure Determination

    International Nuclear Information System (INIS)

    Cox, D. E.

    1999-01-01

    It is clear that high-resolution synchrotrons X-ray powder diffraction is a very powerful and convenient tool for material characterization and structure determination. Most investigations to date have been carried out under ambient conditions and have focused on structure solution and refinement. The application of high-resolution techniques to increasingly complex structures will certainly represent an important part of future studies, and it has been seen how ab initio solution of structures with perhaps 100 atoms in the asymmetric unit is within the realms of possibility. However, the ease with which temperature-dependence measurements can be made combined with improvements in the technology of position-sensitive detectors will undoubtedly stimulate precise in situ structural studies of phase transitions and related phenomena. One challenge in this area will be to develop high-resolution techniques for ultra-high pressure investigations in diamond anvil cells. This will require highly focused beams and very precise collimation in front of the cell down to dimensions of 50 (micro)m or less. Anomalous scattering offers many interesting possibilities as well. As a means of enhancing scattering contrast it has applications not only to the determination of cation distribution in mixed systems such as the superconducting oxides discussed in Section 9.5.3, but also to the location of specific cations in partially occupied sites, such as the extra-framework positions in zeolites, for example. Another possible application is to provide phasing information for ab initio structure solution. Finally, the precise determination of f as a function of energy through an absorption edge can provide useful information about cation oxidation states, particularly in conjunction with XANES data. In contrast to many experiments at a synchrotron facility, powder diffraction is a relatively simple and user-friendly technique, and most of the procedures and software for data analysis

  20. Design of a uranium-dioxide powder spheroidization system by plasma processing

    Science.gov (United States)

    Cavender, Daniel

    The plasma spheroidization system (PSS) is the first process in the development of a tungsten-uranium dioxide (W-UO2) ceramic-metallic (cermet) fuel for nuclear thermal rocket (NTR) propulsion. For the purposes of fissile fuel retention, UO2 spheroids ranging in size from 50 - 100 micrometers (μm) in diameter will be encapsulated in a tungsten shell. The PSS produces spherical particles by melting angular stock particles in an argon-hydrogen plasma jet where they become spherical due to surface tension. Surrogate CeO 2 powder was used in place of UO2 for system and process parameter development. Stock and spheroidized powders were micrographed using optical and scanning electron microscopy and evaluated by statistical methods to characterize and compare the spherocity of pre and post process powders. Particle spherocity was determined by irregularity parameter. Processed powders showed a statistically significant improvement in spherocity, with greater that 60% of the examined particles having an irregularity parameter of equal to or lower than 1.2, compared to stock powder.

  1. In-Flight Formation of Nano-Crystalline Titanium Dioxide Powder in a Plasma Jet and Its Characterization

    International Nuclear Information System (INIS)

    Ananthapadmanabhan, P. V.; Thiyagarajan, T. K.; Sreekumar, K. P.; Vijay, M.; Selvarajan, V.; Yu, Jiaguo; Liu, Shengwei

    2010-01-01

    Nanocrystalline titanium dioxide powder was synthesized by in-flight oxidation of titanium dihydride (TiH 2 ) powder in a thermal plasma jet. TiH 2 powder was injected into the thermal plasma jet and allowed to react with oxygen injected downstream the jet. Characterization of the powder by various analytical tools indicated that the powder consisted of nano-sized titanium dioxide particles consisting predominantly of the anatase phase. It is suggested that the thermo-chemistry of the oxidation process contributes significantly to the formation of nano-sized titania. The large energy released during the oxidation process dissociates the TiO 2 particles into TiO (g) and titanium vapour, which recombine downstream with oxygen and form nano particles of TiO 2 .

  2. Optical, Physical, and Chemical Properties of Surface Modified Titanium Dioxide Powders

    Science.gov (United States)

    2011-02-01

    PROPERTIES OF SURFACE MODIFIED TITANIUM DIOXIDE POWDERS fwn Scivrxc fa SciWcrrs Brendan G. DeLacy RESEARCH AND TECHNOLOGY DIRECTORATE David R. Redding ...NUMBER 5c PROGRAM ELEMENT NUMBER 6. AUTHOR(S) DeLacy, Brendan G. (SAIC) Redding , David R. (ECBC); and Matthews. Joshua 5d. PROJECT NUMBER...X3,300?t>5flm* ** aJI ^-15 SEf Figure 7 - SEM Image #1 of CR-470 •i i .#1. • ^ iW i > hp ^•R^^^Ay *£ $ ^< W^# K HB8 %^ vj\\ X

  3. Polyphenol-Retaining Decaffeinated Cocoa Powder Obtained by Supercritical Carbon Dioxide Extraction and Its Antioxidant Activity.

    Science.gov (United States)

    Kobori, Kinji; Maruta, Yuto; Mineo, Shigeru; Shigematsu, Toru; Hirayama, Masao

    2013-10-14

    Cocoa beans contain many functional ingredients such as theobromine and polyphenols, but also contain a relatively high amount of caffeine, which can negatively impact human health. It is therefore desirable to reduce caffeine levels in cocoa powder used to make chocolate or cocoa beverages while retaining functional ingredients. We have established conditions for supercritical carbon dioxide (SCCO₂) extraction that remove 80.1% of the caffeine from cocoa powder while retaining theobromine (94.1%) and polyphenols (84.7%). The antioxidant activity of the decaffeinated cocoa powder (DCP) made with this optimized SCCO₂ extraction method was 85.3% that of non-processed cocoa powder. The total procyanidin and total polyphenol concentrations of the DCPs resulting from various SCCO₂ extractions showed a significant positive correlation with oxygen radical absorbance capacity (ORAC). The correlation coefficient between total polyphenols and ORAC was higher than that between total procyanidins and ORAC; thus, the concentration of total polyphenols might be a greater factor in the antioxidant activity of DCP. These results indicate that we could remove large quantities of caffeine from conventional high-cocoa products while retaining the functional benefits of high polyphenol content. This SCCO₂ extraction method is expected to be applicable high-cocoa products, such as dark chocolate.

  4. Polyphenol-Retaining Decaffeinated Cocoa Powder Obtained by Supercritical Carbon Dioxide Extraction and Its Antioxidant Activity

    Directory of Open Access Journals (Sweden)

    Kinji Kobori

    2013-10-01

    Full Text Available Cocoa beans contain many functional ingredients such as theobromine and polyphenols, but also contain a relatively high amount of caffeine, which can negatively impact human health. It is therefore desirable to reduce caffeine levels in cocoa powder used to make chocolate or cocoa beverages while retaining functional ingredients. We have established conditions for supercritical carbon dioxide (SCCO2 extraction that remove 80.1% of the caffeine from cocoa powder while retaining theobromine (94.1% and polyphenols (84.7%. The antioxidant activity of the decaffeinated cocoa powder (DCP made with this optimized SCCO2 extraction method was 85.3% that of non-processed cocoa powder. The total procyanidin and total polyphenol concentrations of the DCPs resulting from various SCCO2 extractions showed a significant positive correlation with oxygen radical absorbance capacity (ORAC. The correlation coefficient between total polyphenols and ORAC was higher than that between total procyanidins and ORAC; thus, the concentration of total polyphenols might be a greater factor in the antioxidant activity of DCP. These results indicate that we could remove large quantities of caffeine from conventional high-cocoa products while retaining the functional benefits of high polyphenol content. This SCCO2 extraction method is expected to be applicable high-cocoa products, such as dark chocolate.

  5. Uranium metal and uranium dioxide powder and pellets - Determination of nitrogen content - Method using ammonia-sensing electrode. 1. ed.

    International Nuclear Information System (INIS)

    1994-01-01

    This International Standard specifies an analytical method for determining the nitrogen content in uranium metal and uranium dioxide powder and pellets. It is applicable to the determination of nitrogen, present as nitride, in uranium metal and uranium dioxide powder and pellets. The concentration range within which the method can be used is between 9 μg and 600 μg of nitrogen per gram. Interference can occur from metals which form complex ammines, but these are not normally present in significant amounts

  6. Thermal Oxidation of Structured Silicon Dioxide

    DEFF Research Database (Denmark)

    Christiansen, Thomas Lehrmann; Hansen, Ole; Jensen, Jørgen Arendt

    2014-01-01

    The topography of thermally oxidized, structured silicon dioxide is investigated through simulations, atomic force microscopy, and a proposed analytical model. A 357 nm thick oxide is structured by removing regions of the oxide in a masked etch with either reactive ion etching or hydrofluoric acid....... Subsequent thermal oxidation is performed in both dry and wet ambients in the temperature range 950◦C to 1100◦C growing a 205 ± 12 nm thick oxide in the etched mask windows. Lifting of the original oxide near the edge of the mask in the range 6 nm to 37 nm is seen with increased lifting for increasing...

  7. Temperature dependence and P/Ti ratio in phosphoric acid treatment of titanium dioxide and powder properties.

    Science.gov (United States)

    Onoda, H; Matsukura, A

    2015-02-01

    Titanium dioxide has photocatalytic activity and is used as a white pigment for cosmetics. A certain degree of sebum on the skin is decomposed by the ultraviolet radiation in sunlight. In this work, titanium dioxide was shaken with phosphoric acid to synthesize a white pigment for cosmetics. Titanium dioxide was treated with 0.1 mol/L of phosphoric acid at various P/Ti molar ratios, and then shaken in hot water for 1 h. The chemical composition, powder properties, photocatalytic activity, colour phase, and smoothness of the obtained powder were studied. The obtained materials indicated XRD peaks of titanium dioxide, however the peaks diminished subsequent to phosphoric acid treatment. The samples included small particles with sub-micrometer size. The photocatalytic activity of the obtained powders decreased, decomposing less sebum on the skin. Samples prepared at high P/Ti ratio with high shaking temperature indicated low whiteness in in L*a*b* colour space. The shaking and heating temperature and P/Ti ratio had influence on the smoothness of the obtained materials. Phosphoric acid treatment of titanium dioxide is an effective method to inhibit photocatalytic activity for a white pigment. © 2014 Society of Cosmetic Scientists and the Société Française de Cosmétologie.

  8. Standard test methods for chemical, mass spectrometric, and spectrochemical analysis of nuclear-grade uranium dioxide powders and pellets

    CERN Document Server

    American Society for Testing and Materials. Philadelphia

    1999-01-01

    1.1 These test methods cover procedures for the chemical, mass spectrometric, and spectrochemical analysis of nuclear-grade uranium dioxide powders and pellets to determine compliance with specifications. 1.2 This test method covers the determination of uranium and the oxygen to uranium atomic ratio in nuclear-grade uranium dioxide powder and pellets. 1.4 This test method covers the determination of chlorine and fluorine in nuclear-grade uranium dioxide. With a 1 to 10-g sample, concentrations of 5 to 200 g/g of chlorine and 1 to 200 μg/g of fluorine are determined without interference. 1.5 This test method covers the determination of moisture in uranium dioxide samples. Detection limits are as low as 10 μg. 1.6 This test method covers the determination of nitride nitrogen in uranium dioxide in the range from 10 to 250 μg. 1.7 This test method covers the spectrographic analysis of nuclear-grade UO2 for the 26 elements in the ranges indicated in Table 2. 1.8 For simultaneous determination of trace ele...

  9. The effect of particle structure on apparent density of electrolytic copper powder

    Directory of Open Access Journals (Sweden)

    K. I. POPOV

    2001-12-01

    Full Text Available The quantitative microstructural analysis and the sieve analysis of copper powder as well as the scanning electron microscopy analysis of the copper powders particles were performed. It was found that the structure of the copper powder particles determines the apparent density of copper powder. The powder particles from the same fractions of different powders occupy approximately the same volume, but the structure of metallic copper is very different. This causes the difference in apparent densities of copper powder obtained under different conditions. The more dendritic is the structure of powder particles the smaller is the apparent density of copper powder.

  10. Method and device to produce pourable, directly pressable uranium dioxide powder. Verfahren und Vorrichtung zur Herstellung von rieselfaehigem, direkt verpressbarem Urandioxid-Pulver

    Energy Technology Data Exchange (ETDEWEB)

    Boerner, P.; Isensee, H.J.; Vietzke, H.

    1978-08-17

    The uranium dioxide powder is produced from uranium peroxide which is obtained by continuous precipitation of uranyl nitrate solutions. By varying the precipitation conditions, one can exactly adjust the desired properties of the UO/sub 2/ powder, there is no 'post sintering'. The individual process steps are shown in detail.

  11. Properties of 40N3M powder structural steel

    International Nuclear Information System (INIS)

    Moskvina, T.P.; Gulyaev, A.P.; Gulyaev, I.A.; Byakov, S.V.; Melent'ev, I.V.; Morgun, G.N.

    1984-01-01

    Effect of the fabrication technique of compact slabs made of the 40N3M powder structural steel on mechanical properties with determination of a cold brittleness threshold was studied. It is established that after a thermal treatment at a density close to 100% a powder steel is sufficiently close to steel, rolled of an ingot, but is second in reference to steel in its ductility and impact strength. Properties of powder steel obtained by the method of dynamic hot forming (DHF) and hot extrusion are practically equal, but the first method has definite advantages as it allows to obtain details with a definitive form. The above investigation permits to recommend an application of the 40N3M powder steel fabricated by the DHF methods. The optimum thermal treatment course is: quenching+high annealing

  12. Powder diffraction in structural characterization of ...

    Indian Academy of Sciences (India)

    Administrator

    scientists for studying the structure and microstruc- ture of crystalline solids. .... No specific colour brown habit, brown habit, dark red habit, brown habit, dark red ..... polymorphic modifications of this compound, where atom N14 will play a role ...

  13. Zirconium dioxide ultrafine powders formation in ultra-high frequency discharge plasma

    International Nuclear Information System (INIS)

    Triotskij, V.N.; Kurkin, E.N.; Torbov, V.I.; Berestenko, V.I.; Torbova, O.D.; Gurov, S.V.; Alekseev, N.V.

    1995-01-01

    ZrO 2 fine powders of 30...60 nm particle size were synthesized by ZrCl 4 oxidation in a flow of oxygen microwave plasma. Oxygen flow rate and ZrCl 4 feeding rate were the defining parameters effecting on powder particles size at constant discharge power.At predominant contribution of the coalescence process into ZrO 2 powder particles formation their heterogeneous growth was shown necessary to take into account. 16 refs.; 5 figs

  14. The pressure bonding ability of uranium dioxide powders in relation to the evolution of their surface properties

    International Nuclear Information System (INIS)

    Danroc, J.

    1982-09-01

    The long term storage of sinterable uranium dioxide powders generally improves their pressure bonding ability and the strength of the resulting green pellets. Evidence of the gradual evolution of the surface texture and composition of these powders during storage at room temperature and pressure has been provided by infrared spectroscopy, X-ray diffraction and thermogravimetric and microcalorimetric methods. These techniques demonstrated the existence of a thin adherent surface layer of UO 3 2H 2 0. Such a natural evolutionary process can be reproduced and substantially amplified by subjecting the powder to thermal treatments at temperatures up to 90 0 C in a moist air environment. It was shown that powder treated in this manner could be more readily compacted into strong green pellets than could raw material. The tensile strength, commonly regarded as a quality test for such pellets and measured by the brazilian method, was found to be at least twice that of normal pellets. The high density and geometric integrity of these sintered products ensures the extrapolation of these preparation techniques to the mass production of nuclear reactor fuel pellets [fr

  15. Structure of zirconium dioxide based porous glasses

    Czech Academy of Sciences Publication Activity Database

    Gubanova, N. N.; Kopitsa, G. P.; Ezdakova, K. V.; Baranchikov, A. Y.; Angelov, Borislav; Feoktystov, A.; Pipich, V.; Ryukhtin, Vasyl; Ivanov, V. K.

    2014-01-01

    Roč. 8, č. 5 (2014), s. 967-975 ISSN 1027-4510 R&D Projects: GA ČR GAP208/10/1600; GA MŠk(XE) LM2011019; GA ČR GB14-36566G Institutional support: RVO:61389013 ; RVO:61389005 Keywords : zirconium dioxide * porous glasse * nanoparticles Subject RIV: CF - Physical ; Theoretical Chemistry; BG - Nuclear, Atomic and Molecular Physics, Colliders (UJF-V) Impact factor: 0.359, year: 2012

  16. Modeling conversion of ammonium diuranate (ADU) into uranium dioxide (UO{sub 2}) powder

    Energy Technology Data Exchange (ETDEWEB)

    Hung, Nguyen Trong; Thuan, Le Ba [Institute for Technology of Radioactive and Rare Elements (ITRRE), 48 Lang Ha, Dong Da, Ha Noi (Viet Nam); Khoai, Do Van [Institute for Technology of Radioactive and Rare Elements (ITRRE), 48 Lang Ha, Dong Da, Ha Noi (Viet Nam); Current Postdoctoral Fellow at Tokai Reprocessing Technology Development Center, Japan Atomic Energy Agency (JAEA), 4-33 Tokaimura, Nakagun, Ibaraki, 319-1194 (Japan); Lee, Jin-Young, E-mail: jylee@kigam.re.kr [Convergence Research Center for Development of Mineral Resources (DMR), Korea Institute of Geoscience and Mineral Resources (KIGAM), Daejeon, 34132 (Korea, Republic of); Jyothi, Rajesh Kumar, E-mail: rkumarphd@kigam.re.kr [Convergence Research Center for Development of Mineral Resources (DMR), Korea Institute of Geoscience and Mineral Resources (KIGAM), Daejeon, 34132 (Korea, Republic of)

    2016-10-15

    In the paper, Brandon mathematical model that describes the relationship between the essential fabrication parameters [reduction temperature (T{sub R}), calcination temperature (T{sub C}), calcination time (t{sub C}) and reduction time (t{sub R})] and specific surface area of ammonium diuranate (ADU)-derived UO{sub 2} powder products was established. The proposed models can be used to predict and control the specific surface area of UO{sub 2} powders prepared through ADU route. Suitable temperatures for conversion of ADU and ammonium uranyl carbonate (AUC) was examined with the proposed model through assessment of the sinterability of UO{sub 2} powders.

  17. An investigation of heat exchanger fouling in dust suspension cooling systems using graphite powder and carbon dioxide gas

    International Nuclear Information System (INIS)

    Garton, D.A.; Hawes, R.I.; Rose, P.W.

    1966-01-01

    Some experiments have been performed to study the fouling of heat exchanger surfaces where heat is being transferred from a heated fluid to a cooled surface. The fluid studied was a suspension of 4-5 microns mean diameter graphite powder in carbon dioxide gas at near atmospheric pressures. The solids loading range covered was from 5 to 30 lb. graphite/lb. carbon dioxide, and gas Reynolds numbers from 6000 to 16000. Temperature gradients across the cooler of from 20 to 120 deg. C were obtained. The heat transfer ratio is correlated to show the dependence upon the solids loading ratio of the suspension, the gas Reynolds number and the temperature gradient across the cooler. The results have demonstrated that stringent precautions are necessary to ensure complete dryness of the graphite powder and the loop flow surfaces before any quantitative fouling data can be obtained, as the presence of entrained moisture will accelerate the deposition of material on the cold walls of the heat exchanger and can result in plugging. The heat transfer coefficient showed no obvious dependency upon either the gas Reynolds number or the temperature gradient across the cooler over the range investigated. The measured heat transfer coefficient was considerably lower than that obtained when the heat is transferred from a hot wall to a cooler fluid. At a solids loading of 30 lb, graphite/lb. carbon dioxide, the heat transfer coefficient was only 50% of that for heat transfer from a heated wall. At solids loadings below 7 lb/lb., the heat transfer was less than that for a gas alone. (author)

  18. Industrial structural transformation and carbon dioxide emissions in China

    International Nuclear Information System (INIS)

    Zhou, Xiaoyan; Zhang, Jie; Li, Junpeng

    2013-01-01

    Using provincial panel data from the period 1995–2009 to analyze the relationship between the industrial structural transformation and carbon dioxide emissions in China, we find that the first-order lag of industrial structural adjustment effectively reduced the emissions; technical progress itself did not reduce the emissions, but indirectly led to decreasing emissions through the upgrading and optimization of industrial structure. Foreign direct investment and intervention by local governments reduced carbon dioxide emissions, but urbanization significantly increased the emissions. Thus, industrial structural adjustment is an important component of the development of a low-carbon economy. In the context of industrial structural transformation, an effective way to reduce a region’s carbon dioxide emissions is to promote the upgrading and optimization of industrial structure through technical progress. Tighter environmental access policies, selective utilization of foreign direct investment, and improvements in energy efficiency can help to reduce carbon dioxide emissions. - Highlights: ► Relationship between the transformation of industrial structure and CO 2 emissions in China. ► Dynamic panel data model. ► Industrial structural adjustments can effectively reduce current CO 2 emissions. ► Technical progress leads to decreasing CO 2 emissions through upgrading of industrial structure

  19. Nuclear energy - Determination of chlorine and fluorine in uranium dioxide powder and sintered pellets

    International Nuclear Information System (INIS)

    2008-01-01

    This International Standard describes a method for determining the chlorine and fluorine concentrations in uranium dioxide and in sintered fuel pellets by pyrohydrolysis of samples, followed either by liquid ion-exchange chromatography or by selective electrode measurement of chlorine and fluorine ions. Many ion-exchange chromatography systems and ion-selective electrode measurement systems are available

  20. [Ultra-Fine Pressed Powder Pellet Sample Preparation XRF Determination of Multi-Elements and Carbon Dioxide in Carbonate].

    Science.gov (United States)

    Li, Xiao-li; An, Shu-qing; Xu, Tie-min; Liu, Yi-bo; Zhang, Li-juan; Zeng, Jiang-ping; Wang, Na

    2015-06-01

    The main analysis error of pressed powder pellet of carbonate comes from particle-size effect and mineral effect. So in the article in order to eliminate the particle-size effect, the ultrafine pressed powder pellet sample preparation is used to the determination of multi-elements and carbon-dioxide in carbonate. To prepare the ultrafine powder the FRITSCH planetary Micro Mill machine and tungsten carbide media is utilized. To conquer the conglomeration during the process of grinding, the wet grinding is preferred. The surface morphology of the pellet is more smooth and neat, the Compton scatter effect is reduced with the decrease in particle size. The intensity of the spectral line is varied with the change of the particle size, generally the intensity of the spectral line is increased with the decrease in the particle size. But when the particle size of more than one component of the material is decreased, the intensity of the spectral line may increase for S, Si, Mg, or decrease for Ca, Al, Ti, K, which depend on the respective mass absorption coefficient . The change of the composition of the phase with milling is also researched. The incident depth of respective element is given from theoretical calculation. When the sample is grounded to the particle size of less than the penetration depth of all the analyte, the effect of the particle size on the intensity of the spectral line is much reduced. In the experiment, when grounded the sample to less than 8 μm(d95), the particle-size effect is much eliminated, with the correction method of theoretical α coefficient and the empirical coefficient, 14 major, minor and trace element in the carbonate can be determined accurately. And the precision of the method is much improved with RSD element, the fluorescence yield is low and the interference is serious. With the manual multi-layer crystal PX4, coarse collimator, empirical correction, X-ray spectrometer can be used to determine the carbon dioxide in the carbonate

  1. Standard test methods for chemical, mass spectrometric, and spectrochemical analysis of nuclear-grade plutonium dioxide powders and pellets

    CERN Document Server

    American Society for Testing and Materials. Philadelphia

    2010-01-01

    1.1 These test methods cover procedures for the chemical, mass spectrometric, and spectrochemical analysis of nuclear-grade plutonium dioxide powders and pellets to determine compliance with specifications. 1.2 The analytical procedures appear in the following order: Sections Plutonium Sample Handling 8 to 10 Plutonium by Controlled-Potential Coulometry Plutonium by Ceric Sulfate Titration Plutonium by Amperometric Titration with Iron(II) Plutonium by Diode Array Spectrophotometry Nitrogen by Distillation Spectrophotometry Using Nessler Reagent 11 to 18 Carbon (Total) by Direct Combustion–Thermal Conductivity 19 to 30 Total Chlorine and Fluorine by Pyrohydrolysis 31 to 38 Sulfur by Distillation Spectrophotometry 39 to 47 Plutonium Isotopic Analysis by Mass Spectrometry Rare Earth Elements by Spectroscopy 48 to 55 Trace Elements by Carrier–Distillation Spectroscopy 56 to 63 Impurities by ICP-AES Impurity Elements by Spark-Source Mass Spectrography 64 to 70 Moisture by the Coulomet...

  2. Acemetacin cocrystal structures by powder X-ray diffraction

    Science.gov (United States)

    Bolla, Geetha

    2017-01-01

    Cocrystals of acemetacin drug (ACM) with nicotinamide (NAM), p-aminobenzoic acid (PABA), valerolactam (VLM) and 2-pyridone (2HP) were prepared by melt crystallization and their X-ray crystal structures determined by high-resolution powder X-ray diffraction. The powerful technique of structure determination from powder data (SDPD) provided details of molecular packing and hydrogen bonding in pharmaceutical cocrystals of acemetacin. ACM–NAM occurs in anhydrate and hydrate forms, whereas the other structures crystallized in a single crystalline form. The carboxylic acid group of ACM forms theacid–amide dimer three-point synthon R 3 2(9)R 2 2(8)R 3 2(9) with three different syn amides (VLM, 2HP and caprolactam). The conformations of the ACM molecule observed in the crystal structures differ mainly in the mutual orientation of chlorobenzene fragment and the neighboring methyl group, being anti (type I) or syn (type II). ACM hydrate, ACM—NAM, ACM–NAM-hydrate and the piperazine salt of ACM exhibit the type I conformation, whereas ACM polymorphs and other cocrystals adopt the ACM type II conformation. Hydrogen-bond interactions in all the crystal structures were quantified by calculating their molecular electrostatic potential (MEP) surfaces. Hirshfeld surface analysis of the cocrystal surfaces shows that about 50% of the contribution is due to a combination of strong and weak O⋯H, N⋯H, Cl⋯H and C⋯H interactions. The physicochemical properties of these cocrystals are under study. PMID:28512568

  3. Acemetacin cocrystal structures by powder X-ray diffraction

    Directory of Open Access Journals (Sweden)

    Geetha Bolla

    2017-05-01

    Full Text Available Cocrystals of acemetacin drug (ACM with nicotinamide (NAM, p-aminobenzoic acid (PABA, valerolactam (VLM and 2-pyridone (2HP were prepared by melt crystallization and their X-ray crystal structures determined by high-resolution powder X-ray diffraction. The powerful technique of structure determination from powder data (SDPD provided details of molecular packing and hydrogen bonding in pharmaceutical cocrystals of acemetacin. ACM–NAM occurs in anhydrate and hydrate forms, whereas the other structures crystallized in a single crystalline form. The carboxylic acid group of ACM forms theacid–amide dimer three-point synthon R32(9R22(8R32(9 with three different syn amides (VLM, 2HP and caprolactam. The conformations of the ACM molecule observed in the crystal structures differ mainly in the mutual orientation of chlorobenzene fragment and the neighboring methyl group, being anti (type I or syn (type II. ACM hydrate, ACM—NAM, ACM–NAM-hydrate and the piperazine salt of ACM exhibit the type I conformation, whereas ACM polymorphs and other cocrystals adopt the ACM type II conformation. Hydrogen-bond interactions in all the crystal structures were quantified by calculating their molecular electrostatic potential (MEP surfaces. Hirshfeld surface analysis of the cocrystal surfaces shows that about 50% of the contribution is due to a combination of strong and weak O...H, N...H, Cl...H and C...H interactions. The physicochemical properties of these cocrystals are under study.

  4. Structure determination of modulated structures by powder X-ray diffraction and electron diffraction

    Czech Academy of Sciences Publication Activity Database

    Zhou, Z.Y.; Palatinus, Lukáš; Sun, J.L.

    2016-01-01

    Roč. 3, č. 11 (2016), s. 1351-1362 ISSN 2052-1553 Institutional support: RVO:68378271 Keywords : electron diffraction * incommensurate structure * powder diffraction Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 4.036, year: 2016

  5. Enhancement of antioxidant activity of C-phycocyanin of Spirulina powder treated with supercritical fluid carbon dioxide

    Directory of Open Access Journals (Sweden)

    Monchai Dejsungkranont

    2017-10-01

    Full Text Available The functionality and activity of proteins can be modified by supercritical fluid CO2 (SCFCO2. The objectives of this study were to investigate the possibility of enhanced antioxidant activity of C-phycocyanin (C-PC proteins from light-harvested Spirulina maxima powder using the SCFCO2 pretreatment and to optimize the SCFCO2 pretreatment conditions enhancing the antioxidant activity of C-PC. The Taguchi method was used to determine the optimum conditions for the SCFCO2 pretreatment. The experimental factors were the pretreatment temperature, pressure, pretreatment mode (static, dynamic and conjugated and duration. The optimal conditions of SCFCO2 pretreatment were: 60 °C, 24.13 MPa and 60 min in static batch mode. Using these pretreatment conditions, the maximum antioxidant activity of C-PC from the treated residual biomass was 410.1 μmole trolox/mg, which was 1.7-fold higher than the untreated biomass (control. The factor that most affected the antioxidant activity of C-PC was temperature (59%. A high pretreatment temperature could damage C-PC, but promoted antioxidant activity. Of note is that this work was the first to explore SCFCO2 treatment enhancing the antioxidant activity of C-PC in Spirulina sp. powder. Keywords: Antioxidant activity, C-phycocyanin, Spirulina sp., Supercritical fluid carbon dioxide pretreatment, Taguchi method

  6. Structural comparison of sintering products made of "TiC + Ti" composite powders and "Ti + C" powder mixtures

    Science.gov (United States)

    Krinitcyn, Maksim G.; Pribytkov, Gennadii A.; Korosteleva, Elena N.; Firsina, Irina A.; Baranovskii, Anton V.

    2017-12-01

    In this study, powder composite materials comprised of TiC and Ti with different ratios are processed by sintering of Ti and C powder mixtures and self-propagating high-temperature synthesis (SHS) in "Ti+C" system followed by sintering. The microstructure and porosity of obtained composites are investigated and discussed. The dependence of porosity on sintering time is explained theoretically. Optimal regimes that enable to obtain the most homogeneous structure with the least porosity are described.

  7. Toxicity and Fate Comparison between Several Brass and Titanium Dioxide Powders

    Science.gov (United States)

    1993-07-01

    the entire gut without showing any apparent effects . 14. UBJET TEMS1I. NUMBER OF PAGES 27 Daphnia Algae EC50 Aquatic toxicity 11T.PRICE CODE 9...levels of soluble copper and zinc in solution. 3. RESULTS The titanium dioxide ( TiO2 ) materials did not show any apparent toxic effects to daphnia up to...The extended exposure did not show any apparent toxic effects . Long term effects on aquatic org.rnisms exposed to TiO2 are not known. It is apparent

  8. Preparation and Characterization of Nano-structured Ceramic Powders Synthesized by Emulsion Combustion Method

    International Nuclear Information System (INIS)

    Takatori, Kazumasa; Tani, Takao; Watanabe, Naoyoshi; Kamiya, Nobuo

    1999-01-01

    The emulsion combustion method (ECM), a novel powder production process, was originally developed to synthesize nano-structured metal-oxide powders. Metal ions in the aqueous droplets were rapidly oxidized by the combustion of the surrounding flammable liquid. The ECM achieved a small reaction field and a short reaction period to fabricate the submicron-sized hollow ceramic particles with extremely thin wall and chemically homogeneous ceramic powder. Alumina, zirconia, zirconia-ceria solid solutions and barium titanate were synthesized by the ECM process. Alumina and zirconia powders were characterized to be metastable in crystalline phase and hollow structure. The wall thickness of alumina was about 10 nm. The zirconia-ceria powders were found to be single-phase solid solutions for a wide composition range. These powders were characterized as equiaxed-shape, submicron-sized chemically homogeneous materials. The powder formation mechanism was investigated through the synthesis of barium titanate powder with different metal sources

  9. Nuclear energy - Uranium dioxide powder and sintered pellets - Determination of oxygen/uranium atomic ratio by the amperometric method. 2. ed.

    International Nuclear Information System (INIS)

    2007-01-01

    This International Standard specifies an analytical method for the determination of the oxygen/uranium atomic ratio in uranium dioxide powder and sintered pellets. The method is applicable to reactor grade samples of hyper-stoichiometric uranium dioxide powder and pellets. The presence of reducing agents or residual organic additives invalidates the procedure. The test sample is dissolved in orthophosphoric acid, which does not oxidize the uranium(IV) from UO 2 molecules. Thus, the uranium(VI) that is present in the dissolved solution is from UO 3 and/or U 3 O 8 molecules only, and is proportional to the excess oxygen in these molecules. The uranium(VI) content of the solution is determined by titration with a previously standardized solution of ammonium iron(II) sulfate hexahydrate in orthophosphoric acid. The end-point of the titration is determined amperometrically using a pair of polarized platinum electrodes. The oxygen/uranium ratio is calculated from the uranium(VI) content. A portion, weighing about 1 g, of the test sample is dissolved in orthophosphoric acid. The dissolution is performed in an atmosphere of nitrogen or carbon dioxide when sintered material is being analysed. When highly sintered material is being analysed, the dissolution is performed at a higher temperature in purified phosphoric acid from which the water has been partly removed. The cooled solution is titrated with an orthophosphoric acid solution of ammonium iron(II) sulfate, which has previously been standardized against potassium dichromate. The end-point of the titration is detected by the sudden increase of current between a pair of polarized platinum electrodes on the addition of an excess of ammonium iron(II) sulfate solution. The paper provides information about scope, principle, reactions, reagents, apparatus, preparation of test sample, procedure (uranium dioxide powder, sintered pellets of uranium dioxide, highly sintered pellets of uranium dioxide and determination

  10. Internal exposure to neutron-activated {sup 56}Mn dioxide powder in Wistar rats. Pt. 1. Dosimetry

    Energy Technology Data Exchange (ETDEWEB)

    Stepanenko, Valeriy; Kaprin, Andrey; Galkin, Vsevolod; Ivanov, Sergey; Kolyzhenkov, Timofey; Petukhov, Aleksey; Yaskova, Elena; Belukha, Irina; Khailov, Artem; Skvortsov, Valeriy; Ivannikov, Alexander; Akhmedova, Umukusum; Bogacheva, Viktoria [Medical Radiological Research Center (MRRC) named after A.F. Tsyb - National Medical Research Radiological Center of the Health Ministry of the Russian Federation, Obninsk, Kaluga Region (Russian Federation); Rakhypbekov, Tolebay; Dyussupov, Altay; Chaizhunusova, Nailya; Sayakenov, Nurlan; Uzbekov, Darkhan; Saimova, Aisulu; Shabdarbaeva, Dariya; Kairkhanova, Yankar [Semey State Medical University, Semey (Kazakhstan); Otani, Keiko; Endo, Satoru; Satoh, Kenichi; Kawano, Noriyuki; Fujimoto, Nariaki; Hoshi, Masaharu [Hiroshima University, Hiroshima (Japan); Shichijo, Kazuko; Nakashima, Masahiro; Takatsuji, Toshihiro [Nagasaki University, Nagasaki (Japan); Sakaguchi, Aya; Kato, Hiroaki; Onda, Yuichi [University of Tsukuba, Ibaraki (Japan); Toyoda, Shin [Okayama University of Science, Okayama (Japan); Sato, Hitoshi [Ibaraki Prefectural University of Health Science, Ibaraki (Japan); Skakov, Mazhin; Vurim, Alexandr; Gnyrya, Vyacheslav; Azimkhanov, Almas; Kolbayenkov, Alexander [National Nuclear Center of the Republic of Kazakhstan, Kurchatov (Kazakhstan); Zhumadilov, Kasym [Eurasian National University named after L.N. Gumilyov, Astana (Kazakhstan)

    2017-03-15

    There were two sources of ionizing irradiation after the atomic bombings of Hiroshima and Nagasaki: (1) initial gamma-neutron irradiation at the moment of detonation and (2) residual radioactivity. Residual radioactivity consisted of two components: radioactive fallout containing fission products, including radioactive fissile materials from nuclear device, and neutron-activated radioisotopes from materials on the ground. The dosimetry systems DS86 and DS02 were mainly devoted to the assessment of initial radiation exposure to neutrons and gamma rays, while only brief considerations were given for the estimation of doses caused by residual radiation exposure. Currently, estimation of internal exposure of atomic bomb survivors due to dispersed radioactivity and neutron-activated radioisotopes from materials on the ground is a matter of some interest, in Japan. The main neutron-activated radionuclides in soil dust were {sup 24}Na, {sup 28}Al, {sup 31}Si, {sup 32}P, {sup 38}Cl, {sup 42}K, {sup 45}Ca, {sup 46}Sc, {sup 56}Mn, {sup 59}Fe, {sup 60}Co, and {sup 134}Cs. The radionuclide {sup 56}Mn (T{sub 1/2} = 2.58 h) is known as one of the dominant beta- and gamma emitters during the first few hours after neutron irradiation of soil and other materials on ground, dispersed in the form of dust after a nuclear explosion in the atmosphere. To investigate the peculiarities of biological effects of internal exposure to {sup 56}Mn in comparison with external gamma irradiation, a dedicated experiment with Wistar rats exposed to neutron-activated {sup 56}Mn dioxide powder was performed recently by Shichijo and coworkers. The dosimetry required for this experiment is described here. Assessment of internal radiation doses was performed on the basis of measured {sup 56}Mn activity in the organs and tissues of the rats and of absorbed fractions of internal exposure to photons and electrons calculated with the MCNP-4C Monte Carlo using a mathematical rat phantom. The first results of

  11. Structure and amphoteric properties of titanium dioxide gels

    International Nuclear Information System (INIS)

    Kertesz, C.

    1991-01-01

    Mechanisms responsible for the in-solution ion retention by titanium dioxide are studied. Mineral oxide gel formation and structure are described and various titanium dioxide gel synthesis modes are presented. A two-phase model, taking into account the porous nature of the solid and allowing for the application of the mass action law, is adopted. The oxide amphoteric properties are studied with the potentiometric titration technique. Hysteresis loops are imputed to the slowness of the acid-basic neutralization reaction. The main characteristics are determined: isoelectric point, cation and anion retention capacity. Depending on the suspension agitation, the speed limiting factor may be the diffusion in the film or the diffusion in the particle. 60 fig., 128 ref

  12. Nanostructured Polypyrrole Powder: A Structural and Morphological Characterization

    Directory of Open Access Journals (Sweden)

    Edgar A. Sanches

    2015-01-01

    Full Text Available Polypyrrole (PPY powder was chemically synthesized using ferric chloride (FeCl3 and characterized by X-ray diffraction (XRD, Le Bail Method, Fourier Transform Infrared Spectrometry (FTIR, and Scanning Electron Microscopy (SEM. XRD pattern showed a broad scattering of a semicrystalline structure composed of main broad peaks centered at 2θ = 11.4°, 22.1°, and 43.3°. Crystallinity percentage was estimated by the ratio between the sums of the peak areas to the area of amorphous broad halo due to the amorphous phase and showed that PPY has around 20 (1%. FTIR analysis allowed assigning characteristic absorption bands in the structure of PPY. SEM showed micrometric particles of varying sizes with morphologies similar to cauliflower. Crystal data (monoclinic, space group P 21/c, a=7.1499 (2 Å, b=13.9470 (2 Å, c=17.3316 (2 Å, α=90 Å, β=61.5640 (2 Å and γ=90 Å were obtained using the FullProf package program under the conditions of the method proposed by Le Bail. Molecular relaxation was performed using the density functional theory (DFT and suggests that tetramer polymer chains are arranged along the “c” direction. Average crystallite size was found in the range of 20 (1 Å. A value of 9.33 × 10−9 S/cm was found for PPY conductivity.

  13. Thermoexpanded graphite modification by titanium dioxide

    International Nuclear Information System (INIS)

    Semko, L.S.; Gorbik, P.P.; Chujko, O.O.; Kruchek, Ya.Yi.; Dzyubenko, L.S.; Orans'ka, O.Yi.

    2006-01-01

    A method of the synthesis of thermoexpanded graphite (TEG) powders coated by titanium dioxide is developed. The conversion of n-buthylorthotitanate into TiO 2 on the TEG surface is investigated. The optimal parameters of the synthesis and the structure of titanium dioxide clusters on the TEG surface are determined

  14. Structure, mechanical and corrosion properties of powdered stainless steel Kh13

    International Nuclear Information System (INIS)

    Radomysel'skij, I.D.; Napara-Volgina, S.G.; Orlova, L.N.; Apininskaya, L.M.

    1982-01-01

    Structure, mechanical and corrosion properties are studied for compact powdered stainless steel, Grade Kh13, produced from prealloyed powder and a mixture of chromium and iron powders by hot vacuum pressing (HVP) following four schemes: HVP of unsintered billets; HVP of presintered billets; HVP of unsintered billets followed by diffusion annealing; HVP of sintered billets followed by diffusion annealing. Analysis of the structure, mechanical and corrosion properties of Kh13 steel produced according to the four schemes confirmed that production of this steel by the HVP method without presintering of porous billets and diffusion annealing of compact stampings is possible only when prealloyed powder of particular composition is used as a starting material

  15. Control of core structure in MgB{sub 2} wire through tailoring boron powder

    Energy Technology Data Exchange (ETDEWEB)

    Maeda, Minoru, E-mail: maeda.minoru70@nihon-u.ac.jp [Department of Physics, College of Science and Technology, Nihon University, 1-8-14 Kanda-Surugadai, Chiyoda-ku, Tokyo 101-8308 (Japan); Uchiyama, Daisuke [Department of Physics, College of Science and Technology, Nihon University, 1-8-14 Kanda-Surugadai, Chiyoda-ku, Tokyo 101-8308 (Japan); Hossain, Md Shahriar Al; Ma, Zongqing [Institute for Superconducting and Electronic Materials, University of Wollongong, North Wollongong, New South Wales 2500 (Australia); Shahabuddin, Mohammed [Department of Physics and Astronomy, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451 (Saudi Arabia); Kim, Jung Ho, E-mail: jhk@uow.edu.au [Institute for Superconducting and Electronic Materials, University of Wollongong, North Wollongong, New South Wales 2500 (Australia)

    2015-07-05

    Highlights: • The typical void structure in the wire is obtained by using large-sized B powder. • In contrast, void alignment can be achieved by using fine B powder. • The sintering at lower temperatures improves the critical current density in fields. - Abstract: A common fabrication process for MgB{sub 2} wire, namely, the in situ powder-in-tube process, forms numerous voids within the wire core, and void formation cannot be completely avoided. The orientation is, however, known to be aligned more or less along the current-flow direction when ductile coarse magnesium powder is used as a precursor, and further tailoring approaches could open up the way to improving the transport critical current density. Herein, we have used boron powders with different particle sizes, in combination with the coarse magnesium powder, and evaluated their size effects on the phase composition, microstructure, and transport properties. A mixture of the coarse magnesium powder with large-sized boron powder in the wire core, after cold working and sintering, forms a granular morphology. In contrast, an aligned core appears during the reduction process for wire which is prepared by using fine boron powder. The sintering process, especially at a low temperature, where magnesium evaporation hardly occurs, yields an aligned structure, mainly consisting of MgB{sub 2} phase, along the wire direction. These findings demonstrate that the initial size of the starting materials is critical for the tailored structure.

  16. Standard test method for the determination of uranium by ignition and the oxygen to uranium (O/U) atomic ratio of nuclear grade uranium dioxide powders and pellets

    CERN Document Server

    American Society for Testing and Materials. Philadelphia

    2000-01-01

    1.1 This test method covers the determination of uranium and the oxygen to uranium atomic ratio in nuclear grade uranium dioxide powder and pellets. 1.2 This test method does not include provisions for preventing criticality accidents or requirements for health and safety. Observance of this test method does not relieve the user of the obligation to be aware of and conform to all international, national, or federal, state and local regulations pertaining to possessing, shipping, processing, or using source or special nuclear material. 1.3 This standard does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibility of the user of this standard to establish appropriate safety and health practices and determine the applicability of regulatory limitations prior to use. 1.4 This test method also is applicable to UO3 and U3O8 powder.

  17. Optical modulation in silicon-vanadium dioxide photonic structures

    Science.gov (United States)

    Miller, Kevin J.; Hallman, Kent A.; Haglund, Richard F.; Weiss, Sharon M.

    2017-08-01

    All-optical modulators are likely to play an important role in future chip-scale information processing systems. In this work, through simulations, we investigate the potential of a recently reported vanadium dioxide (VO2) embedded silicon waveguide structure for ultrafast all-optical signal modulation. With a VO2 length of only 200 nm, finite-differencetime- domain simulations suggest broadband (200 nm) operation with a modulation greater than 12 dB and an insertion loss of less than 3 dB. Predicted performance metrics, including modulation speed, modulation depth, optical bandwidth, insertion loss, device footprint, and energy consumption of the proposed Si-VO2 all-optical modulator are benchmarked against those of current state-of-the-art all-optical modulators with in-plane optical excitation.

  18. Computational characterization of 13C NMR lineshapes of carbon dioxide in structure 1 clathrate hydrates

    Energy Technology Data Exchange (ETDEWEB)

    Dornan, P.; Woo, T.K. [Ottawa Univ., ON (Canada). Dept. of Chemistry

    2008-07-01

    Nonspherical large cages in structure one clathrates impose non-uniform motion of nonspherical guest molecules and anisotropic lineshapes in nuclear magnetic resonance (NMR) spectra of the guest. This paper presented a general method for calculating the chemical shift lineshape anisotropy of guest molecules in clathrate hydrate compounds from molecular dynamics simulations for the case of weak host, guest dipolar coupling. In order to calculate the cage chemical shielding tensors and the NMR lineshape produced by each guest molecule, the study involved the use of orientational distributions from molecular dynamics simulation along with time and powder angle averaging. The total predicted lineshape anisotropy was calculated from the superposition of the lineshapes of all guests. The approach was applied to calculate the temperature dependent 13C NMR lineshape anisotropy of carbon dioxide in structure 1 clathrates. The paper presented the computational methodology and results and discussion. It was concluded that the resulting lineshapes were in good agreement with the experimental 13C NMR spectrum at each temperature. The method provided a uniform procedure to calculate the lineshapes at different temperatures and no prior assumptions about the nature of the motion of the guest in cages was required. 37 refs., 2 tabs., 3 figs.

  19. Structure and properties of powder metallurgy constructional steel of different densities

    International Nuclear Information System (INIS)

    Gulyaev, A.P.; Moskvina, T.P.

    1986-01-01

    A specific feature of powder metallurgy steels is porosity, the degree of which depends upon the method of their production. This article establishes the influence of a small amount of porosity on the mechanical properties of powder metallurgy constructional steel. The structure of heat-treated cast and powder metallurgy steels with different porosities are shown. The results of mechanical tests of the experimental steels with different porosities are shown. With an increase in porosity the nonmetallic inclusion rating of the powder metallurgy constructional steel increases, primarily as the result of the increase in the coarse particles, which is caused by the lower degree of plastic deformation in pressing. With an increase in porosity the mechanical properties of the powder metallurgy steel become poorer: the hardness and strength properties with a porosity of more than 3-5%, the plasticity with more than 1-2%, and the toughness even with a porosity of 1%

  20. The application of the zeolyte powder for the construction of the dense composite membranes for the carbon-dioxide separation

    Directory of Open Access Journals (Sweden)

    Nedeljković Dragutin M.

    2015-01-01

    Full Text Available The main task of the work is to construct the polymeric membrane that could be used for the waste gases treatment. For this purpose, membrane must have high permeability for the carbon dioxide and low permeability of the other gases commonly present in waste gases (hydrogen, oxygen, nitrogen and methane. The constructed membranes were of a dense type, based on a solubility/diffusivity mechanism. In order to enchase the permeability of carbon dioxide, four different zeolytes were added, and in order to improve mechanical stability two different additives were tested. Three zeolytes were with the 3-dimensional pores (ZSM5; Faujasite Linde type A and one was with the 1-dimensional pores (Linde type L. As an additive, n-tetradecyldimethylamonium bromide - n-C14TMABr was tested. The aim of an additive was to provide good wetting of a highly electrically charged zeolyte particle by the hydrophobic polymer chains. The other examined additive was dimethylaminopyridine (DMAP which should improve the solubility of carbon dioxide due to its alkali properties. The best results in carbon dioxide/hydrogen selectivity and permeability were obtained with the membrane constructed with PEBAX 1657 and surface treated zeolyte. The obtained permeability of carbon dioxide was 128 Barrer, and the carbon dioxide/hydrogen selectivity was 9.7.

  1. Gamma Radiation Dosimetry Using Tellurium Dioxide Thin Film Structures

    Directory of Open Access Journals (Sweden)

    Olga Korostynska

    2002-08-01

    Full Text Available Thin films of Tellurium dioxide (TeO2 were investigated for γ-radiation dosimetry purposes. Samples were fabricated using thin film vapour deposition technique. Thin films of TeO2 were exposed to a 60Co γ-radiation source at a dose rate of 6 Gy/min at room temperature. Absorption spectra for TeO2 films were recorded and the values of the optical band gap and energies of the localized states for as-deposited and γ-irradiated samples were calculated. It was found that the optical band gap values were decreased as the radiation dose was increased. Samples with electrical contacts having a planar structure showed a linear increase in current values with the increase in radiation dose up to a certain dose level. The observed changes in both the optical and the electrical properties suggest that TeO2 thin film may be considered as an effective material for room temperature real time γ-radiation dosimetry.

  2. Effect of Pressing Parameters on the Structure of Porous Materials Based on Cobalt and Nickel Powders

    Science.gov (United States)

    Shustov, V. S.; Rubtsov, N. M.; Alymov, M. I.; Ankudinov, A. B.; Evstratov, E. V.; Zelensky, V. A.

    2018-03-01

    Porous materials with a bulk porosity of more than 68% were synthesized by powder metallurgy methods from a cobalt-nickel mixture. The effect of the ratio of nickel and cobalt powders used in the synthesis of this porous material (including cases when either nickel or cobalt alone was applied) and the conditions of their compaction on structural parameters, such as open and closed porosities and pose size, was established.

  3. Electronic structure of the actinides and their dioxides. Application to the defect formation energy and krypton solubility in uranium dioxide

    International Nuclear Information System (INIS)

    Petit, T.; CEA Centre d'Etudes de Grenoble, 38

    1996-01-01

    Uranium dioxide is the standard nuclear fuel used in French h power plants. During irradiation, fission products such as krypton and xenon are created inside fuel pellets. So, gas release could become, at very high burnup, a limiting factor in the reactor exploitation. To study this subject, we have realised calculations using the Density Functional Theory (DFT) into the Local Density Approximation (LDA) and the Atomic Sphere Approximation (ASA). First, we have validated our approach by calculating cohesive properties of thorium, protactinium and uranium metals. The good agreement between our results and experimental values implies that 5f electrons are itinerant. Calculated lattice parameter, cohesive energy and bulk modulus for uranium and thorium dioxides are in very good agreement with experiment. We show that binding between uranium and oxygen atoms is not completely ionic but partially covalent. The question of the electrical conductivity still remains an open problem. We have been able to calculate punctual defect formation energies in uranium dioxide. Accordingly to experimental observations, we find that it is easier to create a defect in the oxygen sublattice than in the uranium sublattice. Finally, we have been able to predict a probable site of krypton atoms in nuclear fuel: the Schottky trio. Experiences of Extended X-ray Absorption Fine structure Spectroscopy (EXAFS) and X-ray Photoelectron Spectroscopy (XPS) on uranium dioxide doped by ionic implantation will help us in the comprehension of the studied phenomena and the interpretation of our calculations. (author)

  4. Use of the CSD program package for structure determination from powder data

    International Nuclear Information System (INIS)

    Akselrud, L.G.; Zavalii, P.Yu.; Grin, Yu.N.; Pecharski, V.K.; Baumgartner, B.; Woelfel, E.

    1993-01-01

    Although Rietveld's method of full profile structure refinement of powder data is a much-used tool today, ab initio structure solution from powder data is still not a routine task. One of the reasons for this is that fully overlapped peaks usually cannot be handled by routine structure determination programs. This shortcoming is not present in the Crystal Structure Determination (CSD) package which accepts intensities from powder diagrams as well as single crystal data. In order to demonstrate the possibilities of the CSD package, powder diagrams of five substances with already known crystal structure were collected and evaluated with the CSD package. The samples were scheelite (CaWO 4 ), pentaerythritol (C(CH 2 OH) 4 ), sodium sulfite (Na 2 SO 3 ), copper sulfate pentahydrate (CuSO 4 .5H 2 O) and silver germanium phosphide (Ag 6 Ge 10 P 12 ) and showed problems typical for powder work like preferred orientation and heavy peak overlapping. For four of the samples, correct atomic positions for some atoms could be found from the automatic MULTAN solution, which were then used in subsequent least squares- and difference Fourier calculations to locate the remaining atoms. Surprisingly, the cubic Ag 6 Ge 10 P 12 posed the most problems for the structure solution although one third of the observed intensities was single-indexed and the final R-value was as low as 4%. (orig.)

  5. Identification of a Herbal Powder by Deoxyribonucleic Acid Barcoding and Structural Analyses.

    Science.gov (United States)

    Sheth, Bhavisha P; Thaker, Vrinda S

    2015-10-01

    Authentic identification of plants is essential for exploiting their medicinal properties as well as to stop the adulteration and malpractices with the trade of the same. To identify a herbal powder obtained from a herbalist in the local vicinity of Rajkot, Gujarat, using deoxyribonucleic acid (DNA) barcoding and molecular tools. The DNA was extracted from a herbal powder and selected Cassia species, followed by the polymerase chain reaction (PCR) and sequencing of the rbcL barcode locus. Thereafter the sequences were subjected to National Center for Biotechnology Information (NCBI) basic local alignment search tool (BLAST) analysis, followed by the protein three-dimension structure determination of the rbcL protein from the herbal powder and Cassia species namely Cassia fistula, Cassia tora and Cassia javanica (sequences obtained in the present study), Cassia Roxburghii, and Cassia abbreviata (sequences retrieved from Genbank). Further, the multiple and pairwise structural alignment were carried out in order to identify the herbal powder. The nucleotide sequences obtained from the selected species of Cassia were submitted to Genbank (Accession No. JX141397, JX141405, JX141420). The NCBI BLAST analysis of the rbcL protein from the herbal powder showed an equal sequence similarity (with reference to different parameters like E value, maximum identity, total score, query coverage) to C. javanica and C. roxburghii. In order to solve the ambiguities of the BLAST result, a protein structural approach was implemented. The protein homology models obtained in the present study were submitted to the protein model database (PM0079748-PM0079753). The pairwise structural alignment of the herbal powder (as template) and C. javanica and C. roxburghii (as targets individually) revealed a close similarity of the herbal powder with C. javanica. A strategy as used here, incorporating the integrated use of DNA barcoding and protein structural analyses could be adopted, as a novel

  6. A new powder morphology for making high-porosity nickel structures

    International Nuclear Information System (INIS)

    Cormier, Elena; Yang, Quan Min; Charles, Doug; Wasmund, Eric Bain; Renny, Les V.

    2007-01-01

    Nickel powders with a special branched chain microstructure such as CVRD Inco Limited's Type 255 trademark have been used for more than 50 years as the basis for making porous metal monoliths for applications such as the electrical backbone of nickel electrode batteries by the sinter/slurry process. The classic trade-off when making these structures is that the strength and porosity are inversely correlated. A number of adaptations to the sinter/slurry making process have been proposed to address this problem. The current approach proposes another solution, optimization of the particle microstructure. The strength and porosity relationship of battery plaques made from Type 255 trademark is compared with plaques made with the new powder and it is statistically verified that plaques made from the new powder have an improved combination of structural properties. A comparison of the rheological characteristics of metal powder slurries suggests ways that the new powder can be incorporated into existing processes. Finally, it is shown that properties such as the slurry apparent viscosity can be used as the basis for measuring and predicting the characteristics of particle microstructure that impute these benefits to the sinter/slurry process. An analysis of battery plaques made with the new powder on an industrial battery sinter/slurry production line confirms that the laboratory results are valid. (author)

  7. Structural modeling and intermolecular correlation of liquid chlorine dioxide

    International Nuclear Information System (INIS)

    Ogata, Norio; Hironori, Shimakura; Kawakita, Yukinobu; Ohara, Yukoji; Kohara, Shinji; Takeda, Shinichi

    2009-01-01

    Chlorine dioxide (ClO 2 ) is water-soluble yellow gas at room temperature. It has long been used as a disinfectant of tap water and various commodities owing to its strong oxidizing activity against various microbial proteins. The oxidizing activity is believed to be due to the presence of unpaired electron in its molecular orbital. Despite wealth of physicochemical studies of gaseous ClO 2 , little is known about liquid ClO 2 , especially about fine molecular structure and intermolecular interactions of liquid ClO 2 . The purpose of this study is to elucidate the fine structure and intermolecular orientations of ClO 2 molecules in its liquid state using a high-energy X-ray diffraction technique. The measurements of liquid ClO 2 were carried out at -50 to 0 degree Celsius using a two-axis diffractometer installed at the BL04B2 beamline in the third-generation synchrotron radiation facility SPring-8 (Hyogo, Japan). The incident X-ray beamline was 113.4 keV in energy and 0.1093 Armstrong in wavelength from a Si(111) monochromator with the third harmonic reflection. Liquid ClO 2 held in a quartz capillary tube was placed in a temperature-controlled vacuum chamber. We obtained a structure factor S(Q) to a range of Q = 0.3-30 Amstrong -1 and a pair distribution function g(r) upon Fourier transform of the S(Q). The total g(r) showed peaks at 1.46, 2.08, 2.48, 3.16 and 4.24 Armstrong. From intramolecular bond lengths of 1.46 Armstrong for Cl-O and 2.48 Armstrong for O-O, O-Cl-O bond angle was estimated to be 116.1 degrees. Peaks at 3.16 and 4.24 Armstrong in the total g(r) strongly indicate presence of specific intermolecular orientations of ClO 2 molecules that are distinct from those observed as a dimer in the solid phase ClO 2 . This view was further supported by molecular simulation using a reverse Monte Carlo method (RMC). (author)

  8. Structure and hardness of a hard metal alloy prepared with a WC powder synthesized at low temperature

    Energy Technology Data Exchange (ETDEWEB)

    Costa, F.A. da [Programa de Pos-Graduacao em Ciencia e Engenharia de Materiais, UFRN, Campus Universitario, 59072-970 Natal, RN (Brazil)], E-mail: francineac@yahoo.com; Medeiros, F.F.P. de [Programa de Pos-Graduacao em Ciencia e Engenharia de Materiais, UFRN, Campus Universitario, 59072-970 Natal, RN (Brazil); Silva, A.G.P. da [Laboratorio de Materiais Avancados, UENF, 28015-620 Campos de Goytacazes, RJ (Brazil); Gomes, U.U. [Departamento de Fisica Teorica e Experimental, UFRN, Campus Universitario, 59072-970 Natal, RN (Brazil); Filgueira, M. [Laboratorio de Materiais Avancados, UENF, 28015-620 Campos de Goytacazes, RJ (Brazil); Souza, C.P. de [Laboratorio de Termodinamica e Reatores, UFRN, Campus Universitario, 59072-970 Natal, RN (Brazil)

    2008-06-25

    The structure and hardness of a WC-10 wt% Co alloy prepared with an experimental WC powder are compared with those of another alloy of the same composition produced under the same conditions and prepared with a commercial WC powder. The experimental WC powder was synthesized by a gas-solid reaction between APT and methane at low temperature and the commercial WC powder was conventionally produced by a solid-solid reaction between tungsten and carbon black. WC-10 wt% Co alloys with the two powders were prepared under the same conditions of milling and sintering. The structure of the sample prepared with the experimental WC powder is homogeneous and coarse grained. The structure of the sample prepared with the commercial powder is heterogeneous. Furthermore the size and shape of the WC grains are significantly different.

  9. Preparation and characterization of functional fabrics from bamboo charcoal/silver and titanium dioxide/silver composite powders and evaluation of their antibacterial efficacy

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Fu-Chu, E-mail: yfc580629@yahoo.com.tw [Army Command Headquarters, MND, Taoyuan, Taiwan (China); Wu, Kuo-Hui [Department of Applied Chemistry and Materials Science, Chung Cheng Institute of Technology, NDU, No. 190, Sanyuan 1st Street, Tahsi, Taoyuan 335, Taiwan (China); Huang, Jen-Wei [Department of Physics, Chinese Military Academy, Fengshan, Kaohsiung, Taiwan (China); Horng, Deng-Nan; Liang, Chia-Feng [Department of Chemistry, Chinese Military Academy, Fengshan, Kaohsiung, Taiwan (China); Hu, Ming-Kuan [School of Pharmacy, National Defense Medical Center, Taipei, Taiwan (China)

    2012-07-01

    Bamboo charcoal supporting silver (BC/Ag) and titanium dioxide supporting silver (TiO{sub 2}/Ag) were prepared by activation and chemical reduction. The BC/Ag and TiO{sub 2}/Ag composites were characterized by silver particle size and distribution and antibacterial properties. The pore and surface properties were studied in terms of BET volumetric measurement with nitrogen adsorption, X-ray diffraction (XRD), and scanning electron microscopy (SEM). The antibacterial effects of the BC/Ag and TiO{sub 2}/Ag composite powders were assessed from the minimum inhibitory concentrations (MICs) and minimum bactericidal concentrations (MBCs), and an excellent antibacterial performance was discovered. Moreover, these composite powders were deposited via immersion coating onto fabrics (nonwoven and carbon fibers) to improve the antibacterial efficacy and to act as a biologically-protective material. The antibacterial activities of the fabrics supported by BC/Ag and TiO{sub 2}/Ag were studied in zone of inhibition and plate counting tests against Gram-positive Staphylococcus aureus ME/GM/TC Resistant, Bacillus subtilis, Candida albicans, Gram-negative Pseudomonas aeruginosae (CTZ and EM and GM) Res. Clin. Isol., Escherichia coli Juhl, and Klebsiella pneumoniae. The results showed that fabric-BC/Ag and fabric-TiO{sub 2}/Ag possess a strong antibacterial activity and an inhibitory effect on the growth of these bacteria and are therefore believed to have great potential for use as antibacterial fabrics.

  10. Nanocomposites based on titanium dioxide and polythiophene: structure and properties

    Czech Academy of Sciences Publication Activity Database

    Vu, Q. T.; Pavlík, Martin; Hebestreit, N.; Rammelt, U.; Plieth, W.; Pfleger, Jiří

    2005-01-01

    Roč. 65, 1-2 (2005), s. 69-77 ISSN 1381-5148. [International Conference on Polymers and Organic Chemistry /11./. Prague, 18.06.2004-23.06.2004] R&D Projects: GA AV ČR IAA4050406 Grant - others:European Graduate School: Advanced Polymeric Materials(XE) IGK720 Institutional research plan: CEZ:AV0Z40500505 Keywords : polythiophene * titanium dioxide * nanocomposites Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.565, year: 2005

  11. Ab initio structure determination via powder X-ray diffraction

    Indian Academy of Sciences (India)

    Unknown

    Although the method of structure completion when once the starting model is provided is ... In this article a survey of the recent development in this area is ..... The Monte Carlo method 4,9 differs from the traditional approaches as it operates in.

  12. Crystal structure determination from powder diffraction data of the coumarin vanillin chalcone

    Czech Academy of Sciences Publication Activity Database

    Ghouili, A.; Rohlíček, Jan; Ayed, T.B.; Hassen, R.B.

    2014-01-01

    Roč. 29, č. 4 (2014), s. 361-365 ISSN 0885-7156 Grant - others:AV ČR(CZ) Praemium Academiae Institutional support: RVO:68378271 Keywords : chalcone * absorption spectra * powder diffraction * crystal structure determination * coumarin derivatives Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.636, year: 2014

  13. Dihydroxycoumarin Schiff base synthesis and structure determination from powder diffraction data

    Czech Academy of Sciences Publication Activity Database

    Rohlíček, Jan; Ketata, I.; Ben Ayed, T.; Ben Hassen, R.

    2013-01-01

    Roč. 1051, NOV (2013), s. 280-284 ISSN 0022-2860 Grant - others:AV ČR(CZ) AP0701 Program:Akademická prémie - Praemium Academiae Institutional support: RVO:68378271 Keywords : powder diffraction * structure solution * Schiff base * dihydroxycoumarine Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.599, year: 2013

  14. Structure of orthorhombic SrZrO/sub 3/ by neutron powder diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Ahtee, A; Ahtee, M [Helsinki Univ. (Finland). Dept. of Physics; Glazer, A M [Cambridge Univ. (UK). Cavendish Lab.; Hewat, A W [Institut Max von Laue - Paul Langevin, 38 - Grenoble (France)

    1976-12-15

    The room-temperature structure of SrZrO/sub 3/ has been established by neutron powder-profile refinement. The space group is Pbnm and SrZrO/sub 3/ is isostructural with other perovskites, such as CaTiO/sub 3/.

  15. Control over Coating Structure during Electromagnetic Welding and Application of HighSpeed Steel Powder

    Directory of Open Access Journals (Sweden)

    L. M. Kozhuro

    2004-01-01

    Full Text Available The paper considers peculiar features concerning coating formation in the process of electromagnetic welding of high-speed steel powder. The paper reveals how to control coating structure that ensures the required operational properties of working surfaces of machine parts. 

  16. Structural and electrical properties of copper-nickel-aluminum alloys obtained by conventional powder metallurgy method

    International Nuclear Information System (INIS)

    Monteiro, Waldemar A.; Carrio, Juan A.G.; Silveira, C.R. da; Pertile, H.K.S.

    2009-01-01

    This work looked for to search out systematically, in scale of laboratory, copper-nickel-aluminum alloys (Cu-Ni-Al) with conventional powder metallurgy processing, in view of the maintenance of the electric and mechanical properties with the intention of getting electric connectors of high performance or high mechanical damping. After cold uniaxial pressing (1000 kPa), sintering (780 deg C) and convenient homogenization treatments (500 deg C for different times) under vacuum (powder metallurgy), the obtained Cu-Ni-Al alloys were characterized by optical microscopy, electrical conductivity, Vickers hardness. X rays powder diffraction data were collected for the sintered samples in order to a structural and microstructural analysis. The comparative analysis is based on the sintered density, hardness, macrostructures and microstructures of the samples. (author)

  17. Structure and magnetic properties of nanocrystalline Fe75Si25 powders prepared by mechanical alloying

    International Nuclear Information System (INIS)

    Kalita, M.P.C.; Perumal, A.; Srinivasan, A.

    2008-01-01

    Nanocrystalline Fe 75 Si 25 powders were prepared by mechanical alloying in a planetary ball mill. The evolution of the microstructure and magnetic properties during the milling process were studied by X-ray diffraction, scanning electron microscope and vibrating sample magnetometer measurements. The evolution of non-equilibrium solid solution Fe (Si) during milling was accompanied by refinement of crystallite size down to 10 nm and the introduction of high density of dislocations of the order of 10 17 m -2 . During the milling process, Fe sites get substituted by Si. This structural change and the resulting disorder are reflected in the lattice parameters and average magnetic moment of the powders milled for various time periods. A progressive increase of coercivity was also observed with increasing milling time. The increase of coercivity could be attributed to the introduction of dislocations and reduction of powder particle size as a function of milling time

  18. Structure and morphology of dispersed lanthanum powders and compact specimens of them

    International Nuclear Information System (INIS)

    Strashinskaya, L.V.; Dudnik, E.M.; Kopylova, L.I.; Savvakin, G.I.

    1986-01-01

    In this work a comparative electron microscopic investigation was made of the structure of dispersed LaB 6 powders. Specimens were prepared from the original and shock-wavetreated LaB 6 powders by hot-pressing. The compaction was done in such a manner that the coarser grains are surrounded by finer grains and all of the grains are rounded. Dispersion of LaB 6 powder by a shock wave leads to a decrease in the residual porosity of hot pressed specimens as the result of an increase in the quantity of finer fraction (1-2 um) in the mixture, i.e., better compaction, and the coarser grains are as immersed in a dense ''matrix'' of the finer ones. To obtain compact porosity-free parts of ultradispersed powders it is necessary to have a purer original material and to adopt special methods of forming which would make it possible to realize the potential reserves of activity of these powders in sintering. Illustrations and table are shown

  19. Studies on the structure of zirconium carbide powders subjected to vibration grinding

    International Nuclear Information System (INIS)

    Kravchik, A.E.; Neshpor, V.S.

    1976-01-01

    The present work is a study of zirconium carbide powders subjected to vibratory milling in various media. The powders were comminuted in air (dry milling), benzene, trichloroethylene, and distilled water. The milling time was 10-160 h. The chemical compositions, specific surfaces, and crystal lattice parameters of the powder in the initial condition and after milling for 100 h in the various media are given. Vibratory milling of zirconium carbide powder can be successfully performed in benzene. Comminution in benzene enables a large specific surface to be attained, with practically no chemical reaction between the medium and the milling products. In milling in trichloroethylene the latter decomposes, with the formation of hydrochloric acid which reacts with the milling products. In a study of the fine structure parameters of zirconium carbide in the , , and directions the smallest crystal lattice strains and block sizes were observed in the direction. This may be taken as evidence that under such disintegration conditions the (110) planes constitute cleavage planes. An evaluation of internal and surface energies established that the strained crystal lattice energy reaches values which must be allowed for in any subsequent uses of the powder

  20. The fabrication and visible-near-infrared optical modulation of vanadium dioxide/silicon dioxide composite photonic crystal structure

    Science.gov (United States)

    Liang, Jiran; Li, Peng; Song, Xiaolong; Zhou, Liwei

    2017-12-01

    We demonstrated a visible and near-infrared light tunable photonic nanostructure, which is composed of vanadium dioxide (VO2) thin film and silicon dioxide (SiO2) ordered nanosphere arrays. The vanadium films were sputtered on two-dimensional (2D) SiO2 sphere arrays. VO2 thin films were prepared by rapid thermal annealing (RTA) method with different oxygen flow rates. The close-packed VO2 shell formed a continuous surface, the composition of VO2 films in the structure changed when the oxygen flow rates increased. The 2D VO2/SiO2 composite photonic crystal structure exhibited transmittance trough tunability and near-infrared (NIR) transmittance modulation. When the oxygen flow rate increased from 3 slpm to 4 slpm, the largest transmittance trough can be regulated from 904 to 929 nm at low temperature, the transmittance troughs also appear blue shift when the VO2 phase changes from insulator to metal. The composite nanostructure based on VO2 films showed visible transmittance tunability, which would provide insights into the glass color changing in smart windows.

  1. The fabrication and visible-near-infrared optical modulation of vanadium dioxide/silicon dioxide composite photonic crystal structure

    Energy Technology Data Exchange (ETDEWEB)

    Liang, Jiran; Li, Peng; Song, Xiaolong; Zhou, Liwei [Tianjin University, School of Microelectronics, Tianjin (China)

    2017-12-15

    We demonstrated a visible and near-infrared light tunable photonic nanostructure, which is composed of vanadium dioxide (VO{sub 2}) thin film and silicon dioxide (SiO{sub 2}) ordered nanosphere arrays. The vanadium films were sputtered on two-dimensional (2D) SiO{sub 2} sphere arrays. VO{sub 2} thin films were prepared by rapid thermal annealing (RTA) method with different oxygen flow rates. The close-packed VO{sub 2} shell formed a continuous surface, the composition of VO{sub 2} films in the structure changed when the oxygen flow rates increased. The 2D VO{sub 2}/SiO{sub 2} composite photonic crystal structure exhibited transmittance trough tunability and near-infrared (NIR) transmittance modulation. When the oxygen flow rate increased from 3 slpm to 4 slpm, the largest transmittance trough can be regulated from 904 to 929 nm at low temperature, the transmittance troughs also appear blue shift when the VO{sub 2} phase changes from insulator to metal. The composite nanostructure based on VO{sub 2} films showed visible transmittance tunability, which would provide insights into the glass color changing in smart windows. (orig.)

  2. Structural and optical analysis of ZnBeMgO powder and thin films

    International Nuclear Information System (INIS)

    Panwar, Neeraj; Liriano, J.; Katiyar, Ram S.

    2011-01-01

    Research highlights: → Structural and optical studies of Zn 1-x-y Be x Mg y O (0 ≤ x ≤0.10; 0 ≤ y ≤ 0.20) powders and thin films. → Raman studies of the pure ZnO powder showed all the characteristic peaks of the wurtzite hexagonal structure and with (Be, Mg) co-doping new modes appeared which can be attributed to arise as a result of doping effect. → The XRD of the films prepared from the powders using pulsed laser deposition (PLD) technique exhibited the preferential orientation and with doping the (0 0 0 2) peak also shifts to higher 2θ values suggesting the incorporation of Be/Mg at the Zn-site. → From the UV-visible optical band gap measurement it was noticed that the band gap of the pristine ZnO film is 3.3 eV which enhanced up to 4.51 eV for Zn 0.7 Be 0.1 Mg 0.2 O film which lies in the solar blind region and is very useful for the deep UV detection. - Abstract: We here report the structural and optical studies of Zn 1-x-y Be x Mg y O (0 ≤ x ≤ 0.15; 0 ≤ y ≤ 0.20) powders and thin films. From the Rietveld refinement of the powder X-ray diffraction (XRD) patterns it was revealed that the value of 'a' lattice parameter remains almost unchanged whereas 'c' parameter reduces with Be and Mg co-doping in ZnO. The Zn-O bond length also decreases in co-doped samples. Raman studies of the pure ZnO powder showed all the characteristic peaks of the wurtzite hexagonal structure and with (Be, Mg) co-doping new modes appeared which can be attributed to arise as a result of substitution. The XRD of the films prepared from the powders using pulsed laser deposition (PLD) technique exhibited the preferential orientation and with increase in co-doping the (0 0 0 2) peak also shifts to higher 2θ values suggesting the incorporation of Be/Mg at the Zn-site. From the UV-visible optical transmittance measurement it was noticed that the band gap of the pristine ZnO film is 3.3 eV which enhanced up to 4.51 eV for Zn 0.7 Be 0.1 Mg 0.2 O film which lies in the

  3. Structural investigations of zirconia powders obtained by hf-plasmochemical denitration

    International Nuclear Information System (INIS)

    Dedov, N.V.; Ivanov, Yu.F.; Dorda, F.A.; Paul', A.V.; Zav'yalov, A.V.; Koneva, N.A.; Korobtsev, V.P.; Kutyavin, E.M.; Mazin, V.I.; Matyukha, V.A.

    1992-01-01

    Results are presented of structural and physicochemical investigations of unstabilized and stabilized (using yttria, magnesia, calcium oxide and alumina) zirconia, obtained from nitrate solutions on pilot HF-plasmochemical equipment with an electric rating of 63 kW. The phase composition of the ultradispersed powder is shown. Morphological and grain-size analyses were carried out on the EM-125K electron diffraction microscope. specimens were prepared by applying powder to a carbon film obtained in a VUP-4 vacuum cell. The phase composition was studied by x-ray analysis on the DRON-3 diffractometer. These studies established that the main morphological constituents of the ZrO 2 powder are polycrystalline hollow spheres and fragments of films. The average sizes (diameter) of the spheres in 0.77 μ (mean square deviation σ n = 0.57μ) and for the grains in them 31 nm (σ n = 9.5 nm). There exists a certain correlation between the dimensions of the polycrystalline spheres and their grain structure - the coarser the powders, the larger the grains observed

  4. Effects of bioglass powders with and without mesoporous structures on fibroblast and osteoblast responses

    Energy Technology Data Exchange (ETDEWEB)

    Shih, Chi-Jen, E-mail: cjshih@kmu.edu.tw [Department of Fragrance and Cosmetic Science, College of Pharmacy, Kaohsiung Medical University, 100 Shi-Chuan 1st Road, Kaohsiung 80708, Taiwan (China); Lu, Pei-Shan [Department of Fragrance and Cosmetic Science, College of Pharmacy, Kaohsiung Medical University, 100 Shi-Chuan 1st Road, Kaohsiung 80708, Taiwan (China); Hsieh, Chih-Hsin [Department of Orthopaedics, Kaohsiung Medical University Hospital, Kaohsiung Medical University, Kaohsiung 80708, Taiwan (China); Chen, Wen-Cheng [Advanced Medical Devices and Composites Laboratory, Department of Fiber and Composite Materials, College of Engineering, Feng Chia University, Taichung 40724, Taiwan (China); Chen, Jian-Chih [Department of Orthopaedics, Kaohsiung Medical University Hospital, Kaohsiung Medical University, Kaohsiung 80708, Taiwan (China); Department of Orthopaedics, College of Medicine, Kaohsiung Medical University, Kaohsiung 80708, Taiwan (China)

    2014-09-30

    Highlights: • Fluorescent microscopy images show that BG-M has excellent cellular affinity. • Both the BG and BG-M substrates had positive effects on the proliferation of the osteoblastic cells. • Cells cultured on BG-M had approximately 1.4 times higher proliferation activity. - Abstract: The main objective of this study was to compare the responses of fibroblasts and osteoblasts to bioglass (BG) and bioglass-containing mesoporous structure (BG-M) powders. The BG-M powders exhibited specific surface areas approximately three times larger than those of the BG powders. The formation of a hysteresis loop also signified the presence of mesoporous structures in the BG-M samples; however, a hysteresis loop was not observed for the BG samples, resulting in 1/5 the pore volume of the BG-M samples. The viabilities of the fibroblasts and osteoblasts cultured in media containing the BG-M powders for 1, 2, and 3 days were greater than 90%. Importantly, the results of fluorescent microscopy images show that BG-M has excellent cellular affinity. Both the BG and BG-M substrates had positive effects on the proliferation of the osteoblastic cells. However, cells cultured on BG-M had approximately 1.4 times higher proliferation activity.

  5. Effects of bioglass powders with and without mesoporous structures on fibroblast and osteoblast responses

    International Nuclear Information System (INIS)

    Shih, Chi-Jen; Lu, Pei-Shan; Hsieh, Chih-Hsin; Chen, Wen-Cheng; Chen, Jian-Chih

    2014-01-01

    Highlights: • Fluorescent microscopy images show that BG-M has excellent cellular affinity. • Both the BG and BG-M substrates had positive effects on the proliferation of the osteoblastic cells. • Cells cultured on BG-M had approximately 1.4 times higher proliferation activity. - Abstract: The main objective of this study was to compare the responses of fibroblasts and osteoblasts to bioglass (BG) and bioglass-containing mesoporous structure (BG-M) powders. The BG-M powders exhibited specific surface areas approximately three times larger than those of the BG powders. The formation of a hysteresis loop also signified the presence of mesoporous structures in the BG-M samples; however, a hysteresis loop was not observed for the BG samples, resulting in 1/5 the pore volume of the BG-M samples. The viabilities of the fibroblasts and osteoblasts cultured in media containing the BG-M powders for 1, 2, and 3 days were greater than 90%. Importantly, the results of fluorescent microscopy images show that BG-M has excellent cellular affinity. Both the BG and BG-M substrates had positive effects on the proliferation of the osteoblastic cells. However, cells cultured on BG-M had approximately 1.4 times higher proliferation activity

  6. Experimental study on influence of carbon dioxide on porous structure and mechanical properties of shale rock

    Directory of Open Access Journals (Sweden)

    Danuta Miedzińska

    2017-12-01

    Full Text Available Shale rocks are geological formations which can be unconventional gas reservoirs. During their interaction with carbon dioxide, which can be used as a fracturing fluid in shale gas recovery process, many phenomena take place that can influence rock structure and mechanical properties. The research on changes in rock structure under super critical carbon dioxide interaction and their influence of shale properties were presented in the paper. The structural tests were carried out with the use of microscopic techniques with different resolutions of visualization. The uniaxial compression test was applied as a mechanical properties’ assessment experiment. As a result of research, some dependence was observed. The bigger decrease was in porosity after infiltration in lower zooms, the bigger increase in porosity in high zooms and mechanical properties was noticed. Keywords: geomechanics, shale rock, carbon dioxide

  7. Biaxially textured articles formed by powder metallurgy

    Science.gov (United States)

    Goyal, Amit; Williams, Robert K.; Kroeger, Donald M.

    2003-08-05

    A biaxially textured alloy article having a magnetism less than pure Ni includes a rolled and annealed compacted and sintered powder-metallurgy preform article, the preform article having been formed from a powder mixture selected from the group of ternary mixtures consisting of: Ni powder, Cu powder, and Al powder, Ni powder, Cr powder, and Al powder; Ni powder, W powder and Al powder; Ni powder, V powder, and Al powder; Ni powder, Mo powder, and Al powder; the article having a fine and homogeneous grain structure; and having a dominant cube oriented {100} orientation texture; and further having a Curie temperature less than that of pure Ni.

  8. Development of nano-structured silicon carbide ceramics: from synthesis of the powder to sintered ceramics

    International Nuclear Information System (INIS)

    Reau, A.

    2008-12-01

    The materials used inside future nuclear reactors will be subjected to very high temperature and neutrons flux. Silicon carbide, in the form of SiC f /SiC nano-structured composite is potentially interesting for this type of application. It is again necessary to verify the contribution of nano-structure on the behaviour of this material under irradiation. To verify the feasibility and determine the properties of the matrix, it was envisaged to produce it by powder metallurgy from SiC nanoparticles. The objective is to obtain a fully dense nano-structured SiC ceramic without additives. For that, a parametric study of the phases of synthesis and agglomeration was carried out, the objective of which is to determine the active mechanisms and the influence of the key parameters. Thus, studying the nano-powder synthesis by laser pyrolysis allowed to produce, with high production rates, homogeneous batches of SiC nanoparticles whose size can be adjusted between 15 and 90 nm. These powders have been densified by an innovating method: Spark Plasma Sintering (SPS). The study and the optimization of the key parameters allowed the densification of silicon carbide ceramic without sintering aids while preserving the nano-structure of material. The thermal and mechanical properties of final materials were studied in order to determine the influence of the microstructure on their properties. (author)

  9. Observation of Conducting Structures in Detonation Nanodiamond Powder by Electron Paramagnetic Resonance

    Science.gov (United States)

    Binh, Nguyen Thi Thanh; Dolmatov, V. Yu.; Lapchuk, N. M.

    2018-01-01

    We have used electron paramagnetic resonance (EPR) to study high-purity detonation nanodiamond (DND) powders at room temperature. In recording the EPR signal with g factor 2.00247 and line width 0.890 mT, with automatic frequency control locking the frequency of the microwave generator (klystron) to the frequency of the experimental cavity, we observed a change in the shape of the EPR signal from the DND powder due to formation of an anisotropic electrically conducting structure in the powder. The electrical conductivity of the DND sample is apparent in the Dysonian EPR lineshape (strongly asymmetric signal with g factor 2.00146 and line width 0.281 mT) together with an abrupt shift of the baseline at the time of resonant absorption, and in the decrease in the cavity Q due to nonresonant microwave absorption. The observed effect can be explained by transition of the DND powder from a dielectric state to a state with metallic conductivity, due to spin ordering in a preferred direction.

  10. Structure investigations of ferromagnetic Co-Ni-Al alloys obtained by powder metallurgy.

    Science.gov (United States)

    Maziarz, W; Dutkiewicz, J; Lityńska-Dobrzyńska, L; Santamarta, R; Cesari, E

    2010-03-01

    Elemental powders of Co, Ni and Al in the proper amounts to obtain Co(35)Ni(40)Al(25) and Co(40)Ni(35)Al(25) nominal compositions were ball milled in a high-energy mill for 80 h. After 40 h of milling, the formation of a Co (Ni, Al) solid solution with f.c.c. structure was verified by a change of the original lattice parameter and crystallite size. Analytical transmission electron microscopy observations and X-ray diffraction measurements of the final Co (Ni, Al) solid solution showed that the crystallite size scattered from 4 to 8 nm and lattice parameter a = 0.36086 nm. The chemical EDS point analysis of the milled powder particles allowed the calculation of the e/a ratio and revealed a high degree of chemical homogeneity of the powders. Hot pressing in vacuum of the milled powders resulted in obtaining compacts with a density of about 70% of the theoretical one. An additional heat treatment increased the density and induced the martensitic transformation in a parent phase. Selected area diffraction patterns and dark field images obtained from the heat-treated sample revealed small grains around 300 nm in diameter consisting mainly of the ordered gamma phase (gamma'), often appearing as twins, and a small amount of the L1(0) ordered martensite.

  11. Structural evolution of Fe-50 at.% Al powders during mechanical alloying and subsequent annealing processes

    International Nuclear Information System (INIS)

    Haghighi, Sh. Ehtemam; Janghorban, K.; Izadi, S.

    2010-01-01

    Iron aluminides, despite having desirable properties like excellent corrosion resistance, present low room-temperature ductility and low strength at high temperatures. Mechanical alloying as a capable process to synthesize nanocrystalline materials is under consideration to modify these drawbacks. In this study, the microstructure of iron aluminide powders synthesized by mechanical alloying and subsequent annealing was investigated. Elemental Fe and Al powders with the same atomic percent were milled in a planetary ball mill for 15 min to 100 h. The powder milled for 80 h was annealed at temperatures of 300, 500 and 700 o C for 1 h. The alloyed powders were disordered Fe(Al) solid solutions which were transformed to FeAl intermetallic after annealing. The effect of the milling time and annealing treatment on structural parameters, such as crystallite size, lattice parameter and lattice strain was evaluated by X-ray diffraction. Typically, these values were 15 nm, 2.92 A and 3.1% for the disordered Fe(Al) solid solution milled for 80 h and were 38.5 nm, 2.896 A and 1.2% for the FeAl intermetallic annealed at 700 o C, respectively.

  12. Internal exposure to neutron-activated {sup 56}Mn dioxide powder in Wistar rats. Pt. 2. Pathological effects

    Energy Technology Data Exchange (ETDEWEB)

    Shichijo, Kazuko; Mussazhanova, Zhanna; Niino, Daisuke; Nakashima, Masahiro; Tomonaga, Masao [Nagasaki University, Nagasaki (Japan); Fujimoto, Nariaki; Hoshi, Masaharu [Hiroshima University, Hiroshima (Japan); Uzbekov, Darkhan; Kairkhanova, Ynkar; Saimova, Aisulu; Chaizhunusova, Nailya; Sayakenov, Nurlan; Shabdarbaeva, Dariya; Aukenov, Nurlan; Rakhypbekov, Tolebay [Semey State Medical University, Semey (Kazakhstan); Azimkhanov, Almas; Kolbayenkov, Alexander [National Nuclear Center of the Republic of Kazakhstan, Kurchatov (Kazakhstan); Zhumadilov, Kassym [L.N. Gumilyov Eurasian National University, Astana (Kazakhstan); Stepanenko, Valeriy [A. Tsyb Medical Radiological Research Center, National Medical Research Radiological Center, Ministry of Health of Russian Federation, Obninsk, Kaluga region (Russian Federation)

    2017-03-15

    To fully understand the radiation effects of the atomic bombing of Hiroshima and Nagasaki among the survivors, radiation from neutron-induced radioisotopes in soil and other materials should be considered in addition to the initial radiation directly received from the bombs. This might be important for evaluating the radiation risks to the people who moved to these cities soon after the detonations and probably inhaled activated radioactive ''dust.'' Manganese-56 is known to be one of the dominant radioisotopes produced in soil by neutrons. Due to its short physical half-life, {sup 56}Mn emits residual radiation during the first hours after explosion. Hence, the biological effects of internal exposure of Wistar rats to {sup 56}Mn were investigated in the present study. MnO{sub 2} powder was activated by a neutron beam to produce radioactive {sup 56}Mn. Rats were divided into four groups: those exposed to {sup 56}Mn, to non-radioactive Mn, to {sup 60}Co γ rays (2 Gy, whole body), and those not exposed to any additional radiation (control). On days 3, 14, and 60 after exposure, the animals were killed and major organs were dissected and subjected to histopathological analysis. As described in more detail by an accompanying publication, the highest internal radiation dose was observed in the digestive system of the rats, followed by the lungs. It was found that the number of mitotic cells increased in the small intestine on day 3 after {sup 56}Mn and {sup 60}Co exposure, and this change persisted only in {sup 56}Mn-exposed animals. Lung tissue was severely damaged only by exposure to {sup 56}Mn, despite a rather low radiation dose (less than 0.1 Gy). These data suggest that internal exposure to {sup 56}Mn has a significant biological impact on the lungs and small intestine. (orig.)

  13. Powder-based synthesis of nanocrystalline material components for structural application. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Ilyuschenko, A.F.; Ivashko, V.S.; Okovity, V.A. [Powder Metallurgy Research Inst., Minsk (Belarus)] [and others

    1998-12-01

    Hydroxiapate spray coatings and substrates for implant production as well as multilayered metal ceramic coatings from nanocrystalline materials are a subject of the investigation. The work aims at the improvement of quality of said objects. This study has investigated the processes of hydroxiapatite powder production. Sizes, shapes and relief of initial HA powder surface are analyzed using SEM and TEM. Modes of HA plasma spraying on a substrate from titanium and associated compositions of traditional and nanocrystalline structure are optimized. The quality of the sprayed samples are studied using X-ray phase analysis and metallographic analysis. The results of investigations of bioceramic coating spraying on titanium are theoretically generalized, taking into account obtained experimental data. The results of investigations of ion-beam technology are presented for spraying multilayered coatings consisting of alternating metal-ceramic layers of nanocrystalline structure.

  14. The influence of raw material, added emulsifying salt and spray drying on cheese powder structure and hydration properties

    DEFF Research Database (Denmark)

    Felix da Silva, Denise; Larsen, Flemming Hofmann; Hougaard, Anni Bygvrå

    2017-01-01

    The present work has evaluated how raw material, addition of emulsifying salts (ES) and drying technology affect particle characteristics, structure, and hydration of cheese powders. In this context the spray drying technology induced the strongest effect on morphology and swelling of cheese powder...

  15. Fine defective structure of silicon carbide powders obtained from different starting materials

    Directory of Open Access Journals (Sweden)

    Tomila T.V.

    2006-01-01

    Full Text Available The fine defective structure of silicon carbide powders obtained from silicic acid-saccharose, aerosil-saccharose, aerosil-carbon black, and hydrated cellulose-silicic acid gel systems was investigated. The relation between IR absorption characteristics and the microstructure of SiC particles obtained from different starting materials was established. The numerical relationship between the lattice parameter a and the frequency νTO is presented.

  16. Structure and properties of permeable fine-fibrous materials fabricated of powders

    Energy Technology Data Exchange (ETDEWEB)

    Fedorchenko, I M; Kostornov, A G; Kirichenko, O V; Guzhva, N S [AN Ukrainskoj SSR, Kiev. Inst. Problem Materialovedeniya

    1982-09-01

    Effect of main structural characteristics of fine fibrous materials (FFM) of nickel and Ni-Cr, Ni-Mo, Ni-Cr-Mo, Ni-Fe-Cr, Ni-Fe alloys on their hydraulic and mechanical properties was studied. FFM was produced by sintering of polymer fibers filled with metal powders and converted to felts. It was shown, that the level of permeable material properties increases with reduction of filament diameter.

  17. Structure and properties of permeable fine-fibrous materials fabricated of powders

    International Nuclear Information System (INIS)

    Fedorchenko, I.M.; Kostornov, A.G.; Kirichenko, O.V.; Guzhva, N.S.

    1982-01-01

    Effect of main structural characteristicf of fine fibrous materials (FFM) of nickel and Ni-Cr, Ni-Mo, Ni-Cr-Mo, Ni-Fe-Cr, Ni-Fe alloys on their hydraulic and mechanical properties was studied. FFM was produced by sintering of polymer fibers filled with metal powders and converted to felts. It was shown, that the level of permeable material properties increases with reduction of filament diameter

  18. Computer simulation of model cohesive powders: Plastic consolidation, structural changes and elasticity under isotropic loads

    OpenAIRE

    Gilabert, Francisco; Roux, Jean-Noël; Castellanos, Antonio

    2008-01-01

    International audience; The quasistatic behavior of a simple 2D model of a cohesive powder under isotropic loads is investigated by Discrete Element simulations. The loose packing states, as studied in a previous paper, undergo important structural changes under growing confining pressure P, while solid fraction \\Phi irreversibly increases by large amounts. The system state goes through three stages, with different forms of the plastic consolidation curve \\Phi(P*), under growing reduced press...

  19. Development of cobalt ferrite powder preparation employing the sol-gel technique and its structural characterization

    International Nuclear Information System (INIS)

    Sajjia, M.; Oubaha, M.; Prescott, T.; Olabi, A.G.

    2010-01-01

    Research highlights: This work focuses on the sol-gel process and the effects that the initial parameters have on the final product, which is the cobalt ferrite powder, in addition to the heat treatment. Particular interest is devoted to understand how the crosslinker and the chelating agent work and affect the final product. - Abstract: This work focuses on the development of a method to make cobalt ferrite powder using the sol-gel process. A particular emphasis is devoted to the understanding of the role of the chemical parameters involved in the sol-gel technique, and of the heat treatment on the structures and morphologies of the materials obtained. Several samples of cobalt ferrite powder were obtained by varying the initial parameters of the process in addition to the heat treatment temperature. X-ray diffraction and scanning electron microscopy were used to identify the structure and morphology of samples demonstrating the influence of the initial parameters. DTA/TGA was carried out on two standard samples to identify important reaction temperatures during the heat treatment. The average size of the nano crystallites was estimated for a sample by the full width at half maximum (FWHM) of the strongest X-ray diffraction (XRD) peak. It has been found that the chelating agent and the crosslinker have a critical influence on the resultant structure, the particle size and the particle size distribution.

  20. The influence of structural changes on electrical and magnetic characteristics of amorphous powder of the nixmoy alloy

    Directory of Open Access Journals (Sweden)

    Ribić-Zelenović Lenka

    2006-01-01

    Full Text Available Nickel and molybdenum alloy powder was electrodeposited on a titanium cathode from a NiSO4⋅7H2O and (NH46 Mo7O24⋅4H2O ammonium solution. The desired chemical composition, structure, size and shape of particles in the powder samples were achieved by an appropriate choice of electrolysis parameters (current density, composition and temperature of the solution, cathode material and electrolysis duration. Metal coatings form in the current density range 15 mA cm-2powders form. The chemical composition of powder samples depends on the current density of electrodeposition. The molybdenum content in the powder increases with the increase of current density (in the low current density range, while in the higher current density range the molybdenum content in the alloy decreases with the increase of the current density of deposition. Smaller sized particles form at higher current density. X-ray analysis, differential scanning calorimetric and measurements of the temperature dependence of electric resistance and magnetic permeability of the powder samples were all used to establish a predominantly amorphous structure of the powder samples formed at the current density of j≥70mA cm-2. The crystalline particle content in the powder samples increases with the decrease of the current density of deposition. Powder heating causes structural changes. The process of thermal stabilization of nickel and molybdenum amorphous powders takes place in the temperature interval from 463K to 573K and causes a decrease in electrical resistance and increase in magnetic permeability. The crystallization temperature depends on the value of current density of powder electrodeposition. Powder formed at j=180 mA cm-2 begins to crystallize at 573K, while the powder deposited at j=50 mA cm-2 begins to crystallize at 673K. Crystallization of the powder causes a decrease in electric resistivity and magnetic

  1. Influence of Process Control Agent on Characterization and Structure of Micron Chitosan Powders Prepared by Ball Milling Method

    Directory of Open Access Journals (Sweden)

    ZHANG Chuan-jie

    2016-12-01

    Full Text Available With ethyl alcohol or distilled water as process control agent (PCA, micron chitosan powder was prepared by ball milling method. The yield rate, particle size distribution, micro morphology, viscosity average molecular mass, chemical and crystal structures, and thermal properties of these different micron chitosan powders were measured. The results indicate that the yield rate of micron chitosan powders prepared with ethyl alcohol as PCA increases significantly, and improves to 94.7% from 25% while the amount of ethyl alcohol is 0.75mL/g. The particle size distribution of micron chitosan powder prepared with ethyl alcohol as PCA is concentrated, while the D50 and D90 in size are 824nm and 1629nm respectively. Chitosan do not react with ethyl alcohol used as PCA, but the viscosity average molecular mass of prepared micron chitosan powder decreases by 23%, the crystal structures are destroyed slightly, and its thermal stability is slightly weakened.

  2. Aqueous Synthesis of Technetium-Doped Titanium Dioxide by Direct Oxidation of Titanium Powder, a Precursor for Ceramic Nuclear Waste Forms

    Energy Technology Data Exchange (ETDEWEB)

    Lukens, Wayne W. [Chemical; Saslow, Sarah A. [Earth

    2017-11-17

    Technetium-99 (Tc) is a problematic fission product that complicates the long-term disposal of nuclear waste due to its long half-life, high fission yield, and the environmental mobility of pertechnetate, its stable form in aerobic environments. One approach to preventing Tc contamination is through incorporation into durable waste forms based on weathering-resistant minerals such as rutile (titanium dioxide). Here, the incorporation of technetium into titanium dioxide by means of simple, aqueous chemistry is presented. X-ray absorption fine structure spectroscopy and diffuse reflectance spectroscopy indicate that Tc(IV) replaces Ti(IV) within the structure. Rather than being incorporated as isolated Tc(IV) ions, Tc is present as pairs of edge-sharing Tc(IV) octahedra similar to molecular Tc(IV) complexes such as [(H2EDTA)TcIV](u-O)2. Technetium-doped TiO2 was suspended in deionized water under aerobic conditions, and the Tc leached under these conditions was followed for 8 months. The normalized release rate of Tc (LRTc) from the TiO2 particles is low (3×10-6 g m-2 d-1), which illustrates the potential utility of TiO2 as waste form. However, the small size of the as-prepared TiO2 nanoparticles results in estimated retention of Tc for 104 years, which is only a fraction of the half-life of Tc (2×10-5 years).

  3. Structural characterization of nanocrystalline cadmium sulphide powder prepared by solvent evaporation technique

    Science.gov (United States)

    Pandya, Samir; Tandel, Digisha; Chodavadiya, Nisarg

    2018-05-01

    CdS is one of the most important compounds in the II-VI group of semiconductor. There are numerous applications of CdS in the form of nanoparticles and nanocrystalline. Semiconductors nanoparticles (also known as quantum dots), belong to state of matter in the transition region between molecules and solids, have attracted a great deal of attention because of their unique electrical and optical properties, compared to bulk materials. In the field of optoelectronic, nanocrystalline form utilizes mostly in the field of catalysis and fluid technology. Considering these observations, presented work had been carried out, i.e. based on the nanocrystalline material preparation. In the present work CdS nano-crystalline powder was synthesized by a simple and cost effective chemical technique to grow cadmium sulphide (CdS) nanoparticles at 200 °C with different concentrations of cadmium. The synthesis parameters were optimized. The synthesized powder was structurally characterized by X-ray diffraction and particle size analyzer. In the XRD analysis, Micro-structural parameters such as lattice strain, dislocation density and crystallite size were analysed. The broadened diffraction peaks indicated nanocrystalline particles of the film material. In addition to that the size of the prepared particles was analyzed by particle size analyzer. The results show the average size of CdS particles ranging from 80 to 100 nm. The overall conclusion of the work can be very useful in the synthesis of nanocrystalline CdS powder.

  4. Thermal and structural study of guava (Psidium guajava L powders obtained by two dehydration methods

    Directory of Open Access Journals (Sweden)

    Coralia Osorio

    2011-01-01

    Full Text Available Two food products (powders were obtained by hot-air drying or lyophilisation methods on the whole guava fruits. The powders were characterised by sensory and thermal analyses (TGA-DSC, infrared spectroscopy (IR, X-ray diffraction (XRD and scanning electron microscopy (SEM. Thermal, morphological and structural characterisations showed a similar behaviour for the two solids. TGA-DSC and IR showed the presence of pectin as the main constituent of solids. A semi-crystalline profile was evidenced by XRD, and lamellar/spherical morphologies were observed by SEM. Sensory analyses revealed an aroma highly related to guava. These value-added food products are an alternative to process guava and avoid loss during postharvest handling.

  5. Structural study on the gas adsorption phenomena in porous coordination polymers by synchrotron powder diffraction method

    International Nuclear Information System (INIS)

    Kubota, Yoshiki

    2017-01-01

    In situ synchrotron powder diffraction measurement of gas adsorption and crystal structure analysis for porous coordination polymers (PCPs) were performed. From the obtained accurate crystal structure in both atomic and charge density levels, not only the position and orientation of adsorbed gas molecules but also the interaction between the adsorbed gas molecule and host framework were found. The information enables us to understand the mechanism of gas adsorption phenomena and functions of PCPs. It will give us the guiding principles for the novel functional materials design. (author)

  6. The Crystal Structure of the Malaria Pigment Hemozoin as Elucidated by X-ray Powder Diffraction

    DEFF Research Database (Denmark)

    Straasø, Tine

    survival. Successful inhibition of hemozoin crystallization will lead to parasitic death and thus break the cycle. The aim of this thesis is to elucidate the structure of hemozoin by means of X-ray diffraction techniques. Knowledge of the structure will help facilitate intelligent drug design in the future....... As part of the project an all-in-vacuum powder diffractometer was developed, which provides data with a minimum background level and an improved signal-to-noise ratio. Moreover, the diffractometer is designed with the particular purpose of decreasing the number of parameters to be fitted. Installation...

  7. The structure-property relationships of powder processed Fe-Al-Si alloys

    Energy Technology Data Exchange (ETDEWEB)

    Prichard, Paul D. [Iowa State Univ., Ames, IA (United States)

    1998-02-23

    Iron-aluminum alloys have been extensively evaluated as semi-continuous product such as sheet and bar, but have not been evaluated by net shape P/M processing techniques such as metal injection molding. The alloy compositions of iron-aluminum alloys have been optimized for room temperature ductility, but have limited high temperature strength. Hot extruded powder alloys in the Fe-Al-Si system have developed impressive mechanical properties, but the effects of sintering on mechanical properties have not been explored. This investigation evaluated three powder processed Fe-Al-Si alloys: Fe-15Al, Fe-15Al-2.8Si, Fe-15Al-5Si (atomic %). The powder alloys were produced with a high pressure gas atomization (HPGA) process to obtain a high fraction of metal injection molding (MIM) quality powder (D84 < 32 μm). The powders were consolidated either by P/M hot extrusion or by vacuum sintering. The extruded materials were near full density with grain sizes ranging from 30 to 50 μm. The vacuum sintering conditions produced samples with density ranging from 87% to 99% of theoretical density, with an average grain size ranging from 26 μm to 104 μm. Mechanical property testing was conducted on both extruded and sintered material using a small punch test. Tensile tests were conducted on extruded bar for comparison with the punch test data. Punch tests were conducted from 25 to 550 C to determine the yield strength, and fracture energy for each alloy as a function of processing condition. The ductile to brittle transition temperature (DBTT) was observed to increase with an increasing silicon content. The Fe-15Al-2.8Si alloy was selected for more extensive testing due to the combination of high temperature strength and low temperature toughness due to the two phase α + DO3 structure. This investigation provided a framework for understanding the effects of silicon in powder processing and mechanical property behavior of Fe-Al-Si alloys.

  8. Determination of crystal structures with large known fragments directly from measured X-ray powder diffraction intensities

    International Nuclear Information System (INIS)

    Rius, J.; Miravitlles, C.

    1988-01-01

    A strategy for the determination of crystal structures with large known fragments directly from measured X-ray powder diffraction intensities is presented. It is based on the automated full-symmetry Patterson search method described by Rius and Miravitlles where the Fourier coefficients of the observed Patterson function are modified to allow the use of powder diffraction intensity data. Its application to two structures, one with simulated and one with experimental data, is shown. (orig.)

  9. Synthesis, characterization and electrochemical performance of core/shell structured carbon coated silicon powders for lithium ion battery negative electrodes

    Directory of Open Access Journals (Sweden)

    Tuğrul Çetinkaya

    2017-06-01

    Full Text Available Surface of nano silicon powders were coated with amorphous carbon by pyrolysis of polyacronitrile (PAN polymer. Microstructural characterization of amorphous carbon coated silicon powders (Si-C were carried out using scanning electron microscopy (SEM and thickness of carbon coating is defined by transmission electron microscopy (TEM. Elemental analyses of Si-C powders were performed using energy dispersive X-ray spectroscopy (EDS. Structural and phase characterization of Si-C composite powders were investigated using X-ray diffractometer (XRD and Raman spectroscopy. Produced Si-C powders were prepared as an electrode on the copper current collector and electrochemical tests were carried out using CR2016 button cells at 200 mA/g constant current density. According to electrochemical test results, carbon coating process enhanced the electrochemical performance by reducing the problems stem from volume change and showed 770 mAh/g discharge capacity after 30 cycles.

  10. Sulfur cathodes with hydrogen reduced titanium dioxide inverse opal structure.

    Science.gov (United States)

    Liang, Zheng; Zheng, Guangyuan; Li, Weiyang; Seh, Zhi Wei; Yao, Hongbin; Yan, Kai; Kong, Desheng; Cui, Yi

    2014-05-27

    Sulfur is a cathode material for lithium-ion batteries with a high specific capacity of 1675 mAh/g. The rapid capacity fading, however, presents a significant challenge for the practical application of sulfur cathodes. Two major approaches that have been developed to improve the sulfur cathode performance include (a) fabricating nanostructured conductive matrix to physically encapsulate sulfur and (b) engineering chemical modification to enhance binding with polysulfides and, thus, to reduce their dissolution. Here, we report a three-dimensional (3D) electrode structure to achieve both sulfur physical encapsulation and polysulfides binding simultaneously. The electrode is based on hydrogen reduced TiO2 with an inverse opal structure that is highly conductive and robust toward electrochemical cycling. The relatively enclosed 3D structure provides an ideal architecture for sulfur and polysulfides confinement. The openings at the top surface allow sulfur infusion into the inverse opal structure. In addition, chemical tuning of the TiO2 composition through hydrogen reduction was shown to enhance the specific capacity and cyclability of the cathode. With such TiO2 encapsulated sulfur structure, the sulfur cathode could deliver a high specific capacity of ∼1100 mAh/g in the beginning, with a reversible capacity of ∼890 mAh/g after 200 cycles of charge/discharge at a C/5 rate. The Coulombic efficiency was also maintained at around 99.5% during cycling. The results showed that inverse opal structure of hydrogen reduced TiO2 represents an effective strategy in improving lithium sulfur batteries performance.

  11. Uranium dioxide. Sintering test

    International Nuclear Information System (INIS)

    Anon.

    Description of a sintering method and of the equipment devoted to uranium dioxide powder caracterization and comparison between different samples. Determination of the curve giving specific volume versus pressure and micrographic examination of a pellet at medium pressure [fr

  12. Determination of Ni(II) crystal structure by powder x-ray diffraction ...

    African Journals Online (AJOL)

    X-ray powder diffraction pattern was used to determine the length of the unit cell, “a”, the lattice structure type, and the number of atoms per unit cell of Ni(II) crystal. The “a” value was determined to be 23.66 ± 0.005 Å, particle size of 34.87 nm, volume 13.24 Å and Strain value ε = 9.8 x 10-3. The cell search on PXRD patterns ...

  13. Structural characterisation of 1- and 2-dimensional transition metal polymers using powder neutron diffraction

    International Nuclear Information System (INIS)

    James, M.

    1999-01-01

    Powder neutron diffraction provides an alternate technique for the structural study of transition metal polymers and finds utility over standard X-ray methods in two significant ways. Firstly, due to a different instrument geometry, preferred orientation effects are removed from the system. The second advantage gained by utilising neutrons is that H atoms in the sample contribute much more to the nuclear scattering of the diffraction profile - allowing their atomic position to be accurately determined. In X-ray diffraction studies, where H atoms typically account for only ∼3-5% of the scattering from the sample, it is essentially impossible to refine their position in the molecular structure. The structures of several transition metal polymers have been determined using neutrons from the HIFAR reactor at ANSTO and the Powder Diffractometers HRPD and MRPD, along with Rietveld refinement methods. The 1-dimensional polymer dibromobis(thiazole)nickel(II) illustrated in the paper is characteristic of these types of systems which are comprised of transition metal centres bridged by halogen atoms with pendant amine side groups

  14. Structural and magnetic properties of turmeric functionalized CoFe2O4 nanocomposite powder

    International Nuclear Information System (INIS)

    Mehran, E; Farjami Shayesteh, S; Sheykhan, M

    2016-01-01

    The structural and magnetic properties of the synthesized pure and functionalized CoFe 2 O 4 magnetic nanoparticles (NPs) are studied by analyzing the results from the x-ray diffraction (XRD), transmission electron microscopy (TEM), FT–IR spectroscopy, thermogravimetry (TG), and vibrating sample magnetometer (VSM). To extract the structure and lattice parameters from the XRD analysis results, we first apply the pseudo-Voigt model function to the experimental data obtained from XRD analysis and then the Rietveld algorithm is used in order to optimize the model function to estimate the true intensity values. Our simulated intensities are in good agreement with the experimental peaks, therefore, all structural parameters such as crystallite size and lattice constant are achieved through this simulation. Magnetic analysis reveals that the synthesized functionalized NPs have a saturation magnetization almost equal to that of pure nanoparticles (PNPs). It is also found that the presence of the turmeric causes a small reduction in coercivity of the functionalized NPs in comparison with PNP. Our TGA and FTIR results show that the turmeric is bonded very well to the surface of the NPs. So it can be inferred that a nancomposite (NC) powder of turmeric and nanoparticles is produced. As an application, the anti-arsenic characteristic of turmeric makes the synthesized functionalized NPs or NC powder a good candidate for arsenic removal from polluted industrial waste water. (paper)

  15. Structural and magnetic properties of turmeric functionalized CoFe2O4 nanocomposite powder

    Science.gov (United States)

    Mehran, E.; Farjami Shayesteh, S.; Sheykhan, M.

    2016-10-01

    The structural and magnetic properties of the synthesized pure and functionalized CoFe2O4 magnetic nanoparticles (NPs) are studied by analyzing the results from the x-ray diffraction (XRD), transmission electron microscopy (TEM), FT-IR spectroscopy, thermogravimetry (TG), and vibrating sample magnetometer (VSM). To extract the structure and lattice parameters from the XRD analysis results, we first apply the pseudo-Voigt model function to the experimental data obtained from XRD analysis and then the Rietveld algorithm is used in order to optimize the model function to estimate the true intensity values. Our simulated intensities are in good agreement with the experimental peaks, therefore, all structural parameters such as crystallite size and lattice constant are achieved through this simulation. Magnetic analysis reveals that the synthesized functionalized NPs have a saturation magnetization almost equal to that of pure nanoparticles (PNPs). It is also found that the presence of the turmeric causes a small reduction in coercivity of the functionalized NPs in comparison with PNP. Our TGA and FTIR results show that the turmeric is bonded very well to the surface of the NPs. So it can be inferred that a nancomposite (NC) powder of turmeric and nanoparticles is produced. As an application, the anti-arsenic characteristic of turmeric makes the synthesized functionalized NPs or NC powder a good candidate for arsenic removal from polluted industrial waste water. Project supported by the University of Guilan and the Iran Nanotechnology Initiative Council.

  16. Structural evolution of Ni-20Cr alloy during ball milling of elemental powders

    International Nuclear Information System (INIS)

    Lopez B, I.; Trapaga M, L. G.; Martinez F, E.; Zoz, H.

    2011-01-01

    The ball milling (B M) of blended Ni and Cr elemental powders was carried out in a Simoloyer performing on high-energy scale mode at maximum production to obtain a nano structured Ni-20Cr alloy. The phase transformations and structural changes occurring during mechanical alloying were investigated by X-ray diffraction (XRD) and optical microscopy (Om). A gradual solid solubility of Cr and the subsequent formation of crystalline metastable solid solutions described in terms of the Avrami-Ero fe ev kinetics model were calculated. The XRD analysis of the structure indicates that cumulative lattice strain contributes to the driving force for solid solution between Ni and Cr during B M. Microstructure evolution has shown, additionally to the lamellar length refinement commonly observed, the folding of lamellae in the final processing stage. Om observations revealed that the lamellar spacing of Ni rich zones reaches a steady value near 500 nm and almost disappears after 30 h of milling. (Author)

  17. Structural evolution of Ni-20Cr alloy during ball milling of elemental powders

    Energy Technology Data Exchange (ETDEWEB)

    Lopez B, I.; Trapaga M, L. G. [IPN, Centro de Investigacion y de Estudios Avanzados, Unidad Queretaro, Libramiento Norponiente No. 2000, Juriquilla, 76230 Queretaro (Mexico); Martinez F, E. [Centro de Investigacion e Innovacion Tecnologica, Cerrada de Cecati s/n, Col. Santa Catarina Azcapotzalco, 02250 Mexico D. F. (Mexico); Zoz, H., E-mail: israelbaez@gmail.co [Zoz GmbH, D-57482, Wenden (Germany)

    2011-07-01

    The ball milling (B M) of blended Ni and Cr elemental powders was carried out in a Simoloyer performing on high-energy scale mode at maximum production to obtain a nano structured Ni-20Cr alloy. The phase transformations and structural changes occurring during mechanical alloying were investigated by X-ray diffraction (XRD) and optical microscopy (Om). A gradual solid solubility of Cr and the subsequent formation of crystalline metastable solid solutions described in terms of the Avrami-Ero fe ev kinetics model were calculated. The XRD analysis of the structure indicates that cumulative lattice strain contributes to the driving force for solid solution between Ni and Cr during B M. Microstructure evolution has shown, additionally to the lamellar length refinement commonly observed, the folding of lamellae in the final processing stage. Om observations revealed that the lamellar spacing of Ni rich zones reaches a steady value near 500 nm and almost disappears after 30 h of milling. (Author)

  18. Hyperfine interactions and structural features of Fe–44Co–6Mo (wt.%) nanostructured powders

    International Nuclear Information System (INIS)

    Moumeni, Hayet; Nemamcha, Abderrafik; Alleg, Safia; Grenèche, Jean Marc

    2013-01-01

    Nanocrystalline Fe–44Co–6Mo (wt.%) powders have been prepared by high-energy ball milling from elemental Fe, Co and Mo pure powders in a P7 planetary ball mill. The obtained powders were characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD) and Mössbauer spectrometry techniques. The influence of milling process and Mo substitution for Co in equiatomic FeCo have been examined in order to study structural evolution and formation mechanism of nanostructured Fe(CoMo) solid solution. XRD results show the formation of a BCC Fe(CoMo) solid solution (a = 0.2874 nm) where unmixed nanocrystalline Mo with a BCC structure is embedded. Disordered Fe(CoMo) solid solution is characterized by a broad hyperfine magnetic field distribution with two regions centered at B 1 = 35.0 T and B 2 = 30.7 T, respectively, attributed to disordered Fe(Co) solid solution and CoMo enriched environments. Prolonged milling and Mo addition cause the decrease of average hyperfine magnetic field while the average isomer shift remains nearly constant. - Highlights: ► BCC nanostructured Fe(CoMo) solid solution is prepared by milling of Fe, Co and Mo. ► Formation mechanism: Co diffusion into Fe lattice and Mo dissolution in Fe(Co). ► Crystallite size of Fe(CoMo) solid solution reaches 11 nm after 24 h of milling. ► Mössbauer analysis reveals 3 components: high field, enriched Co and low field

  19. Hyperfine interactions and structural features of Fe–44Co–6Mo (wt.%) nanostructured powders

    Energy Technology Data Exchange (ETDEWEB)

    Moumeni, Hayet, E-mail: hmoumeni@yahoo.fr [Laboratoire de Chimie Computationnelle et Nanostructures, Département des Sciences de la Matière, Faculté des Mathématiques et de l' Informatique et des Sciences de la Matière, Université 08 Mai 1945 - Guelma, B.P. 401, Guelma 24000 (Algeria); Nemamcha, Abderrafik [Laboratoire d' Analyses Industrielles et Génie des Matériaux, Faculté des Sciences et de la Technologie, Université 08 Mai 1945 - Guelma, B.P. 401, Guelma 24000 (Algeria); Alleg, Safia [Laboratoire de Magnétisme et de Spectroscopie des Solides, Département de Physique, Faculté des Sciences, Université de Annaba, B.P. 12, Annaba 23000 (Algeria); Grenèche, Jean Marc [Laboratoire de Physique de l' Etat Condensé, UMR CNRS 6087, Institut de Recherche en Ingénierie Moléculaire et Matériaux Fonctionnels IRIM2F, FR CNRS 2575, Université du Maine, 72085 Le Mans Cedex 9 (France)

    2013-02-15

    Nanocrystalline Fe–44Co–6Mo (wt.%) powders have been prepared by high-energy ball milling from elemental Fe, Co and Mo pure powders in a P7 planetary ball mill. The obtained powders were characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD) and Mössbauer spectrometry techniques. The influence of milling process and Mo substitution for Co in equiatomic FeCo have been examined in order to study structural evolution and formation mechanism of nanostructured Fe(CoMo) solid solution. XRD results show the formation of a BCC Fe(CoMo) solid solution (a = 0.2874 nm) where unmixed nanocrystalline Mo with a BCC structure is embedded. Disordered Fe(CoMo) solid solution is characterized by a broad hyperfine magnetic field distribution with two regions centered at B{sub 1} = 35.0 T and B{sub 2} = 30.7 T, respectively, attributed to disordered Fe(Co) solid solution and CoMo enriched environments. Prolonged milling and Mo addition cause the decrease of average hyperfine magnetic field while the average isomer shift remains nearly constant. - Highlights: ► BCC nanostructured Fe(CoMo) solid solution is prepared by milling of Fe, Co and Mo. ► Formation mechanism: Co diffusion into Fe lattice and Mo dissolution in Fe(Co). ► Crystallite size of Fe(CoMo) solid solution reaches 11 nm after 24 h of milling. ► Mössbauer analysis reveals 3 components: high field, enriched Co and low field.

  20. Powder X-ray diffraction studies of structural and kinetic aspects of polymorphism

    International Nuclear Information System (INIS)

    Chan, F.C.

    1999-01-01

    Polymorphism is a poorly understood phenomenon that is of considerable technological interest to the pharmaceutical industry. The polymorph selected can influence the bioavailability, processing and stability of the pharmaceutical dosage form. In this study structural, kinetic and thermodynamics aspects of polymorphism and polymorphic phase transformations have been examined using powder X-ray diffraction (PXRD). The compound sulphathiazole is a well-studied model in the investigation of polymorphism and crystal growth. There are five known polymorphic forms and the structure of form V was unknown until this study. The difficulty has been that it has not been possibly to prepare crystals of appropriate size and quality for single crystal diffraction. Furthermore, structure solution from powder data for organic molecules is almost impossible. Despite the challenge the structure of sulphathiazole form V have been solved ab initio from powder data using direct methods. With 16 non-hydrogen atoms in the molecule and two molecules in the asymmetric unit, this structure represents a significant advance in terms of the complexity of an organic structure solved from PXRD data. The structural data should be invaluable for rationalizing experimental observations and the development of theoretical ideas regarding polymorphism and crystal growth. The second part of the study, has examined kinetics of polymorphic phase transformations as a function of pressure combined with temperature using real-time synchrotron PXRD. The significance of pressure arises from the fact that phase transitions can be induced in pharmaceuticals during tabletting. The phase transformation behaviour of rubidium iodide (chosen as a simple test model) has been investigated as a function of isobaric pressure at ambient and elevated temperatures. The kinetics have been characterized by using the Johnson-Melil-Avrami equation. The effect of successive cycling across the transition pressure was also

  1. Influence of the external heating type in the morphological and structural characteristics of alumina powder prepared by combustion reaction

    International Nuclear Information System (INIS)

    Cordeiro, V.V.; Freitas, N.L.; Viana, K.M.S.; Dias, G.; Costa, A.C.F.M.; Lira, H.L.

    2009-01-01

    The aim of this work is to evaluate the influence of the external heating in the morphological and structural characteristics of the alumina powder prepared by combustion reaction. It was evaluated different types of external heating: muffle oven, microwave oven and ceramic plate with electrical spiral resistance. The powders were prepared according to the propellants and explosives theory, using urea in the stoichiometric proportion (Φe = 1). During the synthesis parameters such as flame combustion time and temperature were measured. The structural and morphological characteristics of the powders were evaluate by XRD, particle size distribution, SEM and nitrogen adsorption (BET). The results showed the production of a-alumina as unique phase and formed by agglomerates with irregular plate shape of thin particles for all studied conditions. The powders prepared by electrical oven presented small particle size, with narrow agglomerates size distribution. (author)

  2. Investigation of Structure and Physico-Mechanical Properties of Composite Materials Based on Copper - Carbon Nanoparticles Powder Systems

    Directory of Open Access Journals (Sweden)

    Kovtun V.

    2015-04-01

    Full Text Available Physico-mechanical and structural properties of electrocontact sintered copper matrix- carbon nanoparticles composite powder materials are presented. Scanning electron microscopy revealed the influence of preliminary mechanical activation of the powder system on distribution of carbon nanoparticles in the metal matrix. Mechanical activation ensures mechanical bonding of nanoparticles to the surface of metal particles, thus giving a possibility for manufacture of a composite with high physico-mechanical properties.

  3. Magnetic, hyperthermic and structural properties of zn substituted CaFe2O4 powders

    Science.gov (United States)

    Kheradmand, Abbas; Vahidi, Omid; Masoudpanah, S. M.

    2018-03-01

    In the present study, we have synthesized single phase Ca1 - x Zn x Fe2O4 powders by hydrothermal method. The cation distribution between the tetrahedral and octahedral sites in the spinel structure and the magnetic properties as a function of the zinc substitution have been investigated by X-ray diffraction (XRD), infrared spectroscopy and vibrating sample magnetometer methods. The obtained XRD pattern indicated that the synthesized particles had single phase cubic spinel structure with no impurity. The magnetic measurements showed that the saturation magnetization increased from 83 to 98 emu/g with the addition of zinc due to the decrease of inversity. The particle size observed by electron microscopy decreased from 1.38 to 0.97 µm with the increase of zinc addition. The Ca0.7Zn0.3Fe2O4 powders exhibited appropriate heating capability for hyperthermia applications with the maximum AC heating temperature of 20 °C and specific loss power of 9.29 W/g.

  4. Cold compaction behavior of nano-structured Nd–Fe–B alloy powders prepared by different processes

    International Nuclear Information System (INIS)

    Liu, Xiaoya; Hu, Lianxi; Wang, Erde

    2013-01-01

    Graphical abstract: Relative density enhancement and nanocrystallization of Nd 2 Fe 14 B phase are two major effective means to improve magnetic properties. Since the matrix Nd 2 Fe 14 B phase in the starting Nd–Fe–B alloy can be disproportionated into a nano-structured mixture of NdH 2.7 , Fe 2 B, and α-Fe phases during mechanical milling in hydrogen. It is thus important to study the densification behavior of nanocrystalline powders to evaluate and predict the cold compactibility of powders. By comparison with the as milled as well as melt-spun Nd 16 Fe 76 B 8 alloy powders, we find that the as-disproportionated Nd 16 Fe 76 B 8 alloy powder exhibits the best cold compactibility. As evident from the illustration presented below, compaction parameters (representing the powder compactibility) have been determined by fitting density–pressure data with double logarithm compaction equation. Densification mechanisms involved during cold compaction process are clarified in our work by referring to microstructure observation of samples prepared by various methods. As a result, highly densified green magnet compact can be obtained by cold pressing of as-disproportionated NdFeB alloy powders. Highlights: ► Nano-structured disproportionated Nd–Fe–B alloy powders by mechanical milling in hydrogen. ► Highly densified green magnet compact by cold pressing of as-disproportionated Nd–Fe–B alloy powders. ► Density–pressure data fitted well by an empirical powder compaction model. ► As-disproportionated powder showed better compactibility than as milled and melt-spun counterparts. ► The effects of physical properties on powder compactibility and densification mechanisms are clarified. - Abstract: The compaction behavior of nano-structured Nd 16 Fe 76 B 8 (atomic ratio) alloy powders, which were prepared by three different processing routes including melt spinning, mechanical milling in argon, and mechanically activated disproportionation by milling in

  5. Cold compaction behavior of nano-structured Nd-Fe-B alloy powders prepared by different processes

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Xiaoya [School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001 (China); Hu, Lianxi, E-mail: hulx@hit.edu.cn [School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001 (China); Wang, Erde [School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001 (China)

    2013-02-25

    Graphical abstract: Relative density enhancement and nanocrystallization of Nd{sub 2}Fe{sub 14}B phase are two major effective means to improve magnetic properties. Since the matrix Nd{sub 2}Fe{sub 14}B phase in the starting Nd-Fe-B alloy can be disproportionated into a nano-structured mixture of NdH{sub 2.7}, Fe{sub 2}B, and {alpha}-Fe phases during mechanical milling in hydrogen. It is thus important to study the densification behavior of nanocrystalline powders to evaluate and predict the cold compactibility of powders. By comparison with the as milled as well as melt-spun Nd{sub 16}Fe{sub 76}B{sub 8} alloy powders, we find that the as-disproportionated Nd{sub 16}Fe{sub 76}B{sub 8} alloy powder exhibits the best cold compactibility. As evident from the illustration presented below, compaction parameters (representing the powder compactibility) have been determined by fitting density-pressure data with double logarithm compaction equation. Densification mechanisms involved during cold compaction process are clarified in our work by referring to microstructure observation of samples prepared by various methods. As a result, highly densified green magnet compact can be obtained by cold pressing of as-disproportionated NdFeB alloy powders. Highlights: Black-Right-Pointing-Pointer Nano-structured disproportionated Nd-Fe-B alloy powders by mechanical milling in hydrogen. Black-Right-Pointing-Pointer Highly densified green magnet compact by cold pressing of as-disproportionated Nd-Fe-B alloy powders. Black-Right-Pointing-Pointer Density-pressure data fitted well by an empirical powder compaction model. Black-Right-Pointing-Pointer As-disproportionated powder showed better compactibility than as milled and melt-spun counterparts. Black-Right-Pointing-Pointer The effects of physical properties on powder compactibility and densification mechanisms are clarified. - Abstract: The compaction behavior of nano-structured Nd{sub 16}Fe{sub 76}B{sub 8} (atomic ratio) alloy

  6. Structure solution from powder neutron and x-ray diffraction data: getting the best of both worlds

    International Nuclear Information System (INIS)

    Hunter, B.A.

    2000-01-01

    Full text: Powder diffraction methods have traditionally been used in three main areas: phase identification and quantification, lattice parameter determination and structure refinement. Until recently structure solution has been the almost exclusive domain of single crystal diffraction methods, predominantly using x-rays. The increasing use of synchrotron and neutron sources, and the unrelenting advances in computing hardware and software means that powder methods are challenging single crystal methods as a practical method for structure solution, especially when single crystal method can not be applied. It is known that structural refinements from a known starting structure using combined X-ray and neutron data sets are capable of providing highly accurate structures. Likewise, using combined x-ray and neutron powder diffraction data in the structure solution process should also be a powerful technique, although to date no one is pursuing this methodology. This paper present examples of solutions to the problem. Namely we are using high resolution powder X-ray and neutron methods to solve the structures of molecular materials and minerals, then refining the structures using both sets of data. In this way we exploit the advantages of both methods while minimising the disadvantages. We present our solution for a small amino acid structure, a metalorganic and a mineral structure

  7. Biaxially textured articles formed by powder metallurgy

    Science.gov (United States)

    Goyal, Amit; Williams, Robert K.; Kroeger, Donald M.

    2003-07-29

    A biaxially textured alloy article having a magnetism less than pure Ni includes a rolled and annealed compacted and sintered powder-metallurgy preform article, the preform article having been formed from a powder mixture selected from the group of mixtures consisting of: at least 60 at % Ni powder and at least one of Cr powder, W powder, V powder, Mo powder, Cu powder, Al powder, Ce powder, YSZ powder, Y powder, Mg powder, and RE powder; the article having a fine and homogeneous grain structure; and having a dominant cube oriented {100} orientation texture; and further having a Curie temperature less than that of pure Ni.

  8. Neutron powder diffraction and theory-aided structure refinement of rubidium and cesium ureate

    Energy Technology Data Exchange (ETDEWEB)

    Sterri, Kjersti B.; Deringer, Volker L.; Houben, Andreas; Jacobs, Philipp [RWTH Aachen Univ. (Germany). Inst. of Inorganic Chemistry; Kumar, Chogondahalli M.N. [Forschungszentrum Juelich GmbH, Juelich Centre for Neutron Science (JCNS), Outstation at SNS, Oak Ridge National Laboratory, Oak Ridge, TN (United States); Oak Ridge National Laboratory, TN (United States). Chemical and Engineering Materials Div.; Dronskowski, Richard [RWTH Aachen Univ. (Germany). Inst. of Inorganic Chemistry; RWTH Aachen Univ. (Germany). Juelich-Aachen Research Alliance (JARA-HPC)

    2016-08-01

    Urea (CN{sub 2}H{sub 4}O) is a fundamental biomolecule whose derivatives are abundant throughout chemistry. Among the latter, rubidium ureate (RbCN{sub 2}H{sub 3}O) and its cesium analog (CsCN{sub 2}H{sub 3}O) have been described only very recently and form the first structurally characterized salts of deprotonated urea. Here, we report on a neutron diffraction study on the aforementioned alkaline-metal ureates, which affords the positions for all hydrogen atoms (including full anisotropic displacement tensors) and thus allows us to gain fundamental insights into the hydrogen-bonding networks in the title compounds. The structure refinements of the experimental neutron data proceeded successfully using starting parameters from ab initio simulations of atomic positions and anisotropic displacement parameters. Such joint experimental-theoretical refinement procedures promise significant practical potential in cases where complex solids (organic, organometallic, framework materials) are studied by powder diffraction.

  9. Structural and thermal behaviour of carious and sound powders of human tooth enamel and dentine

    International Nuclear Information System (INIS)

    Tiznado-Orozco, Gaby E; Garcia-Garcia, R; Reyes-Gasga, J

    2009-01-01

    Powder from carious human tooth enamel and dentine were structurally, chemically and thermally analysed and compared against those from sound (healthy) teeth. Structural and chemical analyses were performed using x-ray diffraction, energy-dispersive x-ray spectroscopy and transmission electron microscopy. Thermal analysis was carried out by thermogravimetric analysis, Fourier transform infrared spectroscopy and x-ray diffraction. Results demonstrate partially dissolved crystals of hydroxyapatite (HAP) with substitutions of Na, Mg, Cl and C, and a greater weight loss in carious dentine as compared with carious enamel. A greater amount of thermal decomposition is observed in carious dentine as compared with sound dentine, with major variations in the a-axis of the HAP unit cell than in the c-axis. Variations in shape and intensity of the OH - , CO 3 2- and PO 4 3- FTIR bands were also found.

  10. Synthesis, Structure, and Luminescent Properties of Europium-Doped Hydroxyapatite Nanocrystalline Powders

    International Nuclear Information System (INIS)

    Ciobanu, C.S.; Iconaru, S.L.; Predoi, D.; Massuyeau, F.; Constantin, L.V.; Costescu, A.

    2012-01-01

    The luminescent europium-doped hydroxyapatite (Eu:HAp, Ca 10-x Eu x (PO 4 ) 6 (OH) 2 ) with 0>x>0.2 nanocrystalline powders was synthesized by coprecipitation. The structural, morphological, and textural properties were well characterized by X-ray diffraction, scanning electron microscopy, and transmission electron microscopy. The vibrational studies were performed by Fourier transform infrared, Raman, and photoluminescence spectroscopies. The X-ray diffraction analysis revealed that hydroxyapatite is the unique crystalline constituent of all the samples, indicating that Eu has been successfully inserted into the HAp lattice. Eu doping inhibits HAp crystallization, leading to a decrease of the average crystallite size from around 20 nm in the undoped sample to around 7 nm in the sample with the highest Eu concentration. Furthermore, the samples show the characteristic 5 D 0 → 7 F 0 transition observed at 578 nm related to Eu 3+ ions distributed on Ca 2+ sites of the apatitic structure

  11. Controlled Synthesis of Manganese Dioxide Nano structures via a Facile Hydrothermal

    International Nuclear Information System (INIS)

    Pang, R.S.C.; Chin, S.F.; Ye, Ch. Ling

    2012-01-01

    Manganese dioxide nano structures with controllable morphological structures and crystalline phases were synthesized via a facile hydrothermal route at low temperatures without using any templates or surfactants. Both the aging duration and aging temperatures were the main synthesis parameters used to influence and control the rate of morphological and structural evolution of MnO 2 nano structures. MnO 2 nano structures comprise of spherical nano particulate agglomerates and highly amorphous in nature were formed at lower temperature and/or short aging duration. In contrast, MnO 2 nano structures of sea-urchin-like and nano rods-like morphologies and nanocrystalline in nature were prepared at the combined higher aging temperatures and longer aging durations. These nano structures underwent notable phase transformation from d-MnO 2 to a-MnO 2 upon prolonged hydrothermal aging duration and exhibited accelerated rate of phase transformation at higher aging temperature.

  12. Stereological analysis of structure formation for solid WC-Co alloys in the process of carbide powder consolidation

    Energy Technology Data Exchange (ETDEWEB)

    Chernyavskij, K S

    1986-03-01

    Evolution of particle size distribution in carbide powders of different technological prehistory is studied in the process of their consolidation as a hard alloy. A successive estimate on identical preparations is used to study a structural powder->alloy transition. Temperature dependences of integral measures of the consolidated structure and characteristics of its heterogeneity are studied. It is shown that all studied structural rearrangements: formation of regular alternation of carbide and binding phases, development of particle-phase interfaces, change in size distribution - more intensely proceed in the high-temperature carbide base alloy.

  13. Structural and morphological characterization of TiO2-ZrO2 powders obtained by the polymeric precursors method

    International Nuclear Information System (INIS)

    Ribeiro, M.A.; Gama, L.; Bispo, A.; Neiva, L.S.; Bernardi, M.I.B.; Kiminami, R.H.G.A.

    2010-01-01

    This work aims to characterize the structure and morphology of TiO 2 -ZrO 2 powders obtained by polymeric precursor method. For this we studied the following compositions: 0.25, 0.5 and 0.75 moles of Zr and calcined at 800 deg C for one hour. The powders obtained were characterized by XRD, SEM and nitrogen adsorption (BET). The analysis of X-ray diffraction showed that the powders had a phase of TiO 2 in the anatase form and a tetragonal phase of ZrO 2 . The crystallite size was between 8, 13 and 11 nm respectively. The analysis of scanning electron microscopy showed the growth of ZrO 2 nanoparticles and that these comprise spherical agglomerates of less than 100 nm. Particle size determined by the BET ranging 28.1-29.5 nm, showing thereby the character of nanosized powders. (author)

  14. Rietveld refinement of magnetic structures from pulsed-neutron-source powder-diffraction data

    International Nuclear Information System (INIS)

    Robinson, R.A.; Lawson, A.C.; Larson, A.C.; Von Dreele, R.B.; Goldstone, J.A.

    1994-01-01

    The General Structure Analysis System, GSAS, has recently been modified to include magnetic neutron- scattering cross-sections. Low-temperature diffraction data have been taken on the hexagonal noncollinear antiferromagnet UPdSn on both the HIPD and the NPD powder diffractometers ail LANSCE. The low-resolution data reveal that the magnetic structure has orthorhombic symmetry (magnetic space group P c m'c2 1 ) between 25K and 40K, and monoclinic symmetry (magnetic space group PC 1121 ) below 25K. The high-resolution data reveal that there are structural distortions with corresponding symmetry changes in each of these phases, to give chemical space groups Cmc2 1 and P2 1 , respectively, while the paramagnetic phase above 40K has space group P6 3 mc. Using GSAS, we have refined data sets from both diffractometers simultaneously, including both magnetic and structural cross-sections. Magnetoelastic coefficients for the distortions have been extracted and we have determined the sign of the coupling between the structural monoclinicity and the magnetic monoclinicity. The magnetic results from Rietveld refinement are in good agreement with model fitting to the integrated intensities of seven independent magnetic reflections and these, in turn, agree with measurements made on the same sample using the constant-wavelength reactor technique. Our results therefore validate, to some level, both the technique of using spallation sources for complicated magnetic structures and the specifics of the GSAS Rietveld code

  15. Effects of Lignosulfonate Structure on the Surface Activity and Wettability to a Hydrophobic Powder

    Directory of Open Access Journals (Sweden)

    Yuanyuan Ge

    2014-10-01

    Full Text Available The wettability of a solid material is very important in many applications, such as food, agrochemical formulations, and cosmetics. Wettability can be improved by adding surface active agents, especially biocompatible surfactants derived from biomass. In this work, the surface activity (ability to lower the surface tension of an aqueous solution and wettability toward a hydrophobic powder by a series of sodium lignosulfonates (NaLS synthesized with different degree of sulfonation (QS and weight-average molecular weights (Mw were investigated by measuring the surface tension and contact angle. The results demonstrated NaLS with a larger Mw or lower QS had higher surface activity. Conversely, the wettability of the NaLS aqueous solution toward difenoconazole powder showed a reverse trend, i.e., NaLS with a smaller Mw or higher Qs improved the wettability to difenoconazole. The surface activity and wettability was controlled by the varying densities of the NaLS molecules at the water to air interface or the solid/liquid interface, which was dependent on the molecular structure of NaLS.

  16. Contact-Free Support Structures for Part Overhangs in Powder-Bed Metal Additive Manufacturing

    Directory of Open Access Journals (Sweden)

    Kenneth Cooper

    2017-12-01

    Full Text Available This study investigates the feasibility of a novel concept, contact-free support structures, for part overhangs in powder-bed metal additive manufacturing. The intent is to develop alternative support designs that require no or little post-processing, and yet, maintain effectiveness in minimizing overhang distortions. The idea is to build, simultaneously during part fabrications, a heat sink (called “heat support”, underneath an overhang to alter adverse thermal behaviors. Thermomechanical modeling and simulations using finite element analysis were applied to numerically research the heat support effect on overhang distortions. Experimentally, a powder-bed electron beam additive manufacturing system was utilized to fabricate heat support designs and examine their functions. The results prove the concept and demonstrate the effectiveness of contact-free heat supports. Moreover, the method was tested with different heat support parameters and applied to various overhang geometries. It is concluded that the heat support proposed has the potential to be implemented in industrial applications.

  17. Validation of molecular crystal structures from powder diffraction data with dispersion-corrected density functional theory (DFT-D)

    DEFF Research Database (Denmark)

    van de Streek, Jacco; Neumann, Marcus A

    2014-01-01

    In 2010 we energy-minimized 225 high-quality single-crystal (SX) structures with dispersion-corrected density functional theory (DFT-D) to establish a quantitative benchmark. For the current paper, 215 organic crystal structures determined from X-ray powder diffraction (XRPD) data and published...

  18. Structure and characteristics of functional powder composite materials obtained by spark plasma sintering

    Science.gov (United States)

    Oglezneva, S. A.; Kachenyuk, M. N.; Kulmeteva, V. B.; Ogleznev, N. B.

    2017-07-01

    The article describes the results of spark plasma sintering of ceramic materials based on titanium carbide, titanium carbosilicide, ceramic composite materials based on zirconium oxide, strengthened by carbon nanostructures and composite materials of electrotechnical purpose based on copper with addition of carbon structures and titanium carbosilicide. The research shows that the spark plasma sintering can achieve relative density of the material up to 98%. The effect of sintering temperature on the phase composition, density and porosity of the final product has been studied. It was found that with addition of carbon nanostructures the relative density and hardness decrease, but the fracture strength of ZrO2 increases up to times 2. The relative erosion resistance of the electrodes made of composite copper-based powder materials, obtained by spark plasma sintering during electroerosion treatment of tool steel exceeds that parameter of pure copper up to times 15.

  19. Structure analysis of K3H(SO4)2 by neutron powder diffraction

    International Nuclear Information System (INIS)

    Murakami, Satoshi; Kuroiwa, Yoshihiro; Noda, Yukio; Nakai, Yusuke; Kamiyama, Takashi; Asano, Hajime.

    1993-01-01

    Neutron powder diffraction experiments of K 3 H(SO 4 ) 2 were carried out at KENS-HRP station in order to obtain the positional parameters of hydrogen nuclei. The data was taken at six different temperatures from room temperature to 20K. Even though K 3 H(SO 4 ) 2 contained a hydrogen atom, the structural analysis was successfully performed by using a program RIETAN. Concerning the hydrogen position, four different models give almost the same R-factor so that the state of the hydrogen nucleus is not uniquely determined. The result based on the assumption that a hydrogen nucleus occupies two sites shows that the distance of split hydrogen nuclei is shorter than the distance of hydrogen electron clouds. This result suggests that a large polarizability exists in a hydrogen atom. (author)

  20. Syntheses and crystal structure determination by X-ray powder diffraction of new compounds of Benzovesamicol

    International Nuclear Information System (INIS)

    Rukiah, M.; Assaad, Th.

    2012-06-01

    The compound 2,2,2-Trifluoro-N-(1a,2,7,7 a-tetra-hydronaphtho[2,3-b]oxiren-3-yl)- acetamide, C 1 2H 1 0F 3 NO 2 , an important precursor in the preparation of benzovesamicol analogues for the diagnosis of Alzheimers disease, was prepared by the epoxidation of 5,8-dihydronaphthalene-1-amine using 3-chloroperoxybenzoic acid. The structure was determined by X-ray powder diffraction, multinuclear NMR spectroscopy and FT-IR spectroscopy. A pair of molecules form intermolecular N- H...O hydrogen bonds, involving the amino and oxirene groups, to produce a dimer.The two racemic compounds (2RS,3RS)-5-amino-3-(4-phenylpiperazin-1-yl)-1,2,3,4 tetrahydronaphthalene-2-ol, C 2 0H 2 5N 3 O, (I) and (2RS,3RS)-5-amino-3-[4-(3- methoxyphenyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalene-2-ol, C 2 1H 2 7N 3 O 2 , (II) important benzovesamicol analogues for the diagnosis of Alzheimer's disease, have been synthesized and characterized by FT-IR, and 1 H and 13 C NMR spectroscopic analyses. The crystal structures were analyses using powder diffraction as no suitable single crystal were obtained. The two compounds are racemic mixtures of enantiomers which crystallize in the monoclinic system in a centrosymmetric space group (P21/c). Crystallography, in particular powder X-ray diffraction, was pivotal in revealing that the enantio-resolution did not succeed. In two compounds, the piperazine ring has a chair conformation, while the cyclohexene ring assumes a half-chair conformation. In (I) the crystal packing is mediated by weak contacts, principally by complementary intermolecular N--H...O hydrogen bonds that connect successive molecules into a chain. Further stabilization is provided by weak C--H...N contacts and by a weak intermolecular C--H...π interaction. While in (II), the crystal packing is dominated by intermolecular O--H...N hydrogen bonding which links molecules along the c direction. (authors)

  1. Preparation of TiC/W core–shell structured powders by one-step activation and chemical reduction process

    International Nuclear Information System (INIS)

    Ding, Xiao-Yu; Luo, Lai-Ma; Huang, Li-Mei; Luo, Guang-Nan; Zhu, Xiao-Yong; Cheng, Ji-Gui; Wu, Yu-Cheng

    2015-01-01

    Highlights: • A novel wet chemical method was used to prepare TiC/W core–shell structure powders. • TiC nanoparticles were well-encapsulated by W shells. • TiC phase was present in the interior of tungsten grains. - Abstract: In the present study, one-step activation and chemical reduction process as a novel wet-chemical route was performed for the preparation of TiC/W core–shell structured ultra-fine powders. The XRD, FE-SEM, TEM and EDS results demonstrated that the as-synthesized powders are of high purity and uniform with a diameter of approximately 500 nm. It is also found that the TiC nanoparticles were well-encapsulated by W shells. Such a unique process suggests a new method for preparing X/W (X refers the water-insoluble nanoparticles) core–shell nanoparticles with different cores

  2. Structural markers of the evolution of whey protein isolate powder during aging and effects on foaming properties.

    Science.gov (United States)

    Norwood, E-A; Le Floch-Fouéré, C; Briard-Bion, V; Schuck, P; Croguennec, T; Jeantet, R

    2016-07-01

    The market for dairy powders, including high added-value products (e.g., infant formulas, protein isolates) has increased continuously over the past decade. However, the processing and storage of whey protein isolate (WPI) powders can result in changes in their structural and functional properties. It is therefore of great importance to understand the mechanisms and to identify the structural markers involved in the aging of WPI powders to control their end use properties. This study was performed to determine the effects of different storage conditions on protein lactosylations, protein denaturation in WPI, and in parallel on their foaming and interfacial properties. Six storage conditions involving different temperatures (θ) and water activities (aw) were studied for periods of up to 12mo. The results showed that for θ≤20°C, foaming properties of powders did not significantly differ from nonaged whey protein isolates (reference), regardless of the aw. On the other hand, powders presented significant levels of denaturation/aggregation and protein modification involving first protein lactosylation and then degradation of Maillard reaction products, resulting in a higher browning index compared with the reference, starting from the early stage of storage at 60°C. These changes resulted in a higher foam density and a slightly better foam stability (whisking) at 6mo. At 40°C, powders showed transitional evolution. The findings of this study will make it possible to define maximum storage durations and to recommend optimal storage conditions in accordance with WPI powder end-use properties. Copyright © 2016 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

  3. The (2 × 2) tunnels structured manganese dioxide nanorods with α phase for lithium air batteries

    Science.gov (United States)

    Ghouri, Zafar Khan; Zahoor, Awan; Barakat, Nasser A. M.; Alsoufi, Mohammad S.; Bawazeer, Tahani M.; Mohamed, Ahmed F.; Kim, Hak Yong

    2016-02-01

    The (2 × 2) tunnels structured manganese dioxide nanorods with α phase (α-MnO2) are synthesized via simplistic hydrothermal method at low temperature. The obtained tunnels structured α-MnO2 nanorods are characterized by, Transmission electron microscopy, Scanning electron microscopy, and X-ray diffraction techniques. The oxygen reduction reaction (ORR) activity was studied by cyclic voltammetry and rotating ring-disc electrode voltammetry techniques in alkaline media. Moreover; the highly electrocatalytic tunnels structured α-MnO2 nanorods were then also applied as cathode in rechargeable Li-O2 cells. The Li-O2 cells exhibited initial discharge capacity as high as ∼4000 mAh/g with the tunnels structured α-MnO2 nanorods which was double the original capacity of the cells without any catalyst. Also we obtained 100% round trip efficiency upon cycling with limited capacity for more than 50 cycles.

  4. Crystal structure solution of hydrides containing natEu from neutron powder diffraction data

    International Nuclear Information System (INIS)

    Kohlmann, H.

    1999-01-01

    Complete text of publication follows. The location of hydrogen in crystal structures of metal hydrides usually requires neutron diffraction data. Some elements, however, show excessively high absorption cross sections, σ a , for neutrons, thus making this technique seemingly impractical. Therefore no complete, refined crystal structure data of europium hydrides (σ a ( nat Eu) = .4530 barns at λ = 179.8 pm [1]) have been reported so far. It is shown that the absorption can be reduced to a value reasonable for neutron diffraction experiments by taking advantage of the wavelength dependence of σ a combined with the use of annular samples at advanced diffractometers. Neutron powder diffraction data on several nat Eu containing deuterides suitable for the ab initio crystal structure solution and refinement have been taken at D20 and D4 (ILL, Grenoble). The crystal chemistry of these europium hydrides, among them the two new compounds EuMg 2 H 6 and EuMgH 4 [2], is discussed. (author) [1] V.F. Sears, Neutron News 1992, 3, 26-37.; [2] H. Kohlmann, F. Gingl, T. Hansen, K. Yvon, Angew. Chem. Int. Ed. Eng. 1999, 38, accepted

  5. Relativistic band-structure calculations for electronic properties of actinide dioxides

    International Nuclear Information System (INIS)

    Maehira, Takahiro; Hotta, Takashi

    2007-01-01

    Energy band structures of actinide dioxides AnO 2 (An=Th, U, Np, and Pu) are investigated by a relativistic linear augmented-plane-wave method with the exchange-correlation potential in a local density approximation (LDA). It is found in common that the energy bands in the vicinity of the Fermi level are mainly due to the hybridization between actinide 5f and oxygen 2p electrons. By focusing on the crystalline electric field states, we point out the problem in the application of the LDA to AnO 2

  6. Structural and magnetic properties of Co50Ni50 powder mixtures

    International Nuclear Information System (INIS)

    Loudjani, N.; Bensebaa, N.; Dekhil, L.; Alleg, S.; Sunol, J.J.

    2011-01-01

    In the present work, morphological, structural, thermal and magnetic properties of nanocrystalline Co 50 Ni 50 alloy prepared by high energy planetary ball milling have been studied by means of scanning electron microscopy, X-ray diffraction, and differential scanning calorimetry. The coercivity and the saturation magnetization of alloyed powders were measured at room temperature by a vibration sample magnetization. Morphological observations indicated a narrow distribution in the particle and homogeneous shape form with mean average particle size around 130 μm 2 . The results show that an allotropic Co transformation hcp→fcc occurs within the three first hours of milling and contrary to what expected, the Rietveld refinement method reveals the formation of two fcc solid solutions (SS): fcc Co(Ni) and Ni(Co) beside a small amount of the undissolved Co hcp. Thermal measurement, as a function of milling time was carried out to confirm the existence of the hcp phase and to estimate its amount. Magnetic measurement indicated that the 48 h milled powders with a steady state particles size have the highest saturation (105.3 emu/g) and the lowest coercivity (34.5 Oe). - Highlights: → By using the Rietveld refinement method we found that Co 50 Ni 50 alloy, milled for 48 h, contains two fcc solid solutions: fcc Co(Ni) and Ni(Co), beside a small amount of the undissolved Co hcp. DSC measurement as a function of milling time was carried out to confirm the existence of the hcp phase and to estimate its amount. → By means of imageJ we found the area distribution and not just the diameter distribution. → The coercivity is strongly related to the particles size distribution.

  7. Adsorption of F2C=CFCl on TiO2 nano-powder: Structures, energetics and vibrational properties from DRIFT spectroscopy and periodic quantum chemical calculations

    International Nuclear Information System (INIS)

    Tasinato, Nicola; Moro, Daniele; Stoppa, Paolo; Pietropolli Charmet, Andrea; Toninello, Piero; Giorgianni, Santi

    2015-01-01

    Graphical abstract: - Highlights: • Adsorption of F 2 C=CFCl on TiO 2 unveiled by DRIFTS and periodic DFT. • Structural, energetic and vibrational properties of F 2 C=CFCl @ anatase (1 0 1). • Binding energies (B3LYP-D2) between −17 and −46 kJ mol −1 depending on the anchor point. • Theory and experiment converge on the CF 2 moiety as the main anchor point. - Abstract: Photodegradation over titanium dioxide (TiO 2 ) is a very appealing technology for removing environmental pollutants from the air, the adsorption interaction being the first step of the whole reaction pathway. In the present work the adsorption of F 2 C=CFCl (chlorotrifluoroethene, halon 1113), a compound used by industry and detected in the atmosphere, on a commercial TiO 2 nano-powder is investigated experimentally by in situ DRIFT spectroscopy and theoretically through periodic ab initio calculations rooted in DFT. The spectra of the adsorbed molecule suggest that the anchoring to the surface mainly takes place through F atoms. Theoretically, five adsorption configurations for the molecule interacting with the anatase (1 0 1) surface are simulated at B3LYP level and for each of them, structures, binding energies and vibrational frequencies are derived. The interplay between theory and experiments shows the coexistence of different adsorption configurations, the foremost ones featuring the interaction of one F atom with a fivefold coordinated Ti 4+ of the surface. These two adsorption models, which mostly differ for the orientation of the adsorbate with respect to the surface, feature a binding energy of −45.6 and −41.0 kJ mol −1 according to dispersion corrected DFT calculations. The favorable adsorption interaction appears as an important requirement toward the application of titanium dioxide technologies for the photocatalytic degradation of halon 1113.

  8. Retraction Note to: Ultra-High Strength and Ductile Lamellar-Structured Powder Metallurgy Binary Ti-Ta Alloys

    Science.gov (United States)

    Liu, Yong; Xu, Shenghang; Wang, Xin; Li, Kaiyang; Liu, Bin; Wu, Hong; Tang, Huiping

    2018-05-01

    The editors and authors have retracted the article, "Ultra-High Strength and Ductile Lamellar-Structured Powder Metallurgy Binary Ti-Ta Alloys" by Yong Liu, Shenghang Xu, Xin Wang, Kaiyang Li, Bin Liu, Hong Wu, and Huiping Tang (https://doi.org/10.1007/s11837-015-1801-1).

  9. Simvastatin: structure solution of two new low-temperature phases from synchrotron powder diffraction and ss-NMR

    Czech Academy of Sciences Publication Activity Database

    Hušák, M.; Kratochvíl, B.; Jegorov, A.; Brus, Jiří; Maixner, J.; Rohlíček, J.

    2010-01-01

    Roč. 21, č. 3 (2010), s. 511-518 ISSN 1040-0400 R&D Projects: GA AV ČR IAA400500602; GA MŠk 2B08021 Institutional research plan: CEZ:AV0Z40500505 Keywords : crystal structure * simvastatin * powder diffraction Subject RIV: CD - Macromolecular Chemistry Impact factor: 1.727, year: 2010

  10. Microwave assisted growth of nanorods vanadium dioxide VO2 (R): structural and electrical properties

    Science.gov (United States)

    Derkaoui, I.; Khenfouch, M.; Mothudi, B. M.; Moloi, S. J.; Zorkani, I.; Jorio, A.; Maaza, M.

    2018-03-01

    Nanostructured metal oxides have attracted a lot of attention recently owning to their unique structural advantages and demonstrated promising chemical and physical properties for various applications. In this study, we report the structural and electrical properties of vanadium dioxide VO2 (R) prepared via a single reaction microwave (SRC) synthesis. Our results are revealing that the components of VO2 (R) films have a rod-like shape with a uniform size distribution. The nanorods with very smooth and flat surfaces have a typical length of up to 2μm and a width of about several nanometers. The structural investigations reveal the high crystallinity of VO2 (R) ensuring good electrical contact and showing a high conductivity as a function of temperature. This synthesis method provides a new simple route to fabricate one-dimensional nanostructured metal oxides which is suitable for a large field of applications especially for smart windows.

  11. Methods of improving the production structure and quality of clay powders

    Energy Technology Data Exchange (ETDEWEB)

    Ryabchenko, V I; Lityayeva, Z A

    1981-01-01

    Results are generalized of scientific research work in relation to the quality of argillaceous raw material and powders made of it to prepare drilling fluids. The output of the solution of definite effective viscosity is adopted as the criterion for the quality of clay powders. Recommendations are made for the use of jet grinding of clays and the technology of plasticizing.

  12. Development of powder diffraction anomalous fine structure method and applications to electrode materials for rechargeable batteries

    International Nuclear Information System (INIS)

    Kawaguchi, Tomoya; Fukuda, Katsutoshi; Oishi, Masatsugu; Ichitsubo, Tetsu; Matsubara, Eiichiro; Mizuki, Jun'ichiro

    2015-01-01

    A powder diffraction anomalous fine structure (P-DAFS) method is developed both in analytical and experimental techniques and applied to cathode materials for lithium ion batteries. The DAFS method, which is an absorption spectroscopic technique through a scattering measurement, enables us to analyze the chemical states and the local structures of a certain element at different sites, thanks to the nature of x-ray diffraction, where the contributions from each site are different at each diffraction. Electrode materials for rechargeable batteries frequently exhibit the interchange between Li and a transition metal, which is known as the cation mixing phenomena. This cation mixing significantly affects the whole electrode properties; therefore, the site-distinguished understanding of the roles of the transition metal is essential for further material design by controlling and positively utilizing this cation mixing phenomenon. However, the developments of the P-DAFS method are required for the applications to the practical materials such as the electrode materials. In the present study, a direct analysis technique to extract the absorption spectrum from the scattering without using the conventional iterative calculations, fast and accurate measurement techniques of the P-DAFS method, and applications to a typical electrode material of Li 1-x Ni 1+x O 2 , which exhibits the significant cation mixing, are described. (author)

  13. Synthesis, Structure, and Luminescent Properties of Europium-Doped Hydroxyapatite Nanocrystalline Powders

    Directory of Open Access Journals (Sweden)

    Carmen Steluta Ciobanu

    2012-01-01

    Full Text Available The luminescent europium-doped hydroxyapatite (Eu:HAp, Ca10−xEux(PO46(OH2 with 0≤x≤0.2 nanocrystalline powders was synthesized by coprecipitation. The structural, morphological, and textural properties were well characterized by X-ray diffraction, scanning electron microscopy, and transmission electron microscopy. The vibrational studies were performed by Fourier transform infrared, Raman, and photoluminescence spectroscopies. The X-ray diffraction analysis revealed that hydroxyapatite is the unique crystalline constituent of all the samples, indicating that Eu has been successfully inserted into the HAp lattice. Eu doping inhibits HAp crystallization, leading to a decrease of the average crystallite size from around 20 nm in the undoped sample to around 7 nm in the sample with the highest Eu concentration. Furthermore, the samples show the characteristic 5D0→7F0 transition observed at 578 nm related to Eu3+ ions distributed on Ca2+ sites of the apatitic structure.

  14. Sol-gel synthesis and structure of La2O3–CoO–SiO2 powders

    Directory of Open Access Journals (Sweden)

    Lachezar Radev

    2008-12-01

    Full Text Available LaCoO3 powders are studied because they exhibit interesting electrical, magnetic and catalytic properties. In this paper, new synthesized La2O3-CoO-SiO2 powders with different quantity of silica were prepared via solgel method in aqua media, starting from metal nitrates with different chelating agents. The relation between the reaction in solution, crystallization pathway and morphology were discussed. In LaCoO3-SiO2 powders, depending on the content of SiO2 and the treatment temperature (700–1100°C, different crystalline phases (LaCoO3, Co2SiO4 and La9.31(SiO46O2 were observed with the crystallite sizes ranging from 50 to 100 nm. It was proved that chemical composition and nature of used additives has influence on the phase formation and structure of obtained nanomaterials.

  15. The crystal structures and powder diffraction patterns of the uranium tellurides

    Energy Technology Data Exchange (ETDEWEB)

    Snyder, R.L. (State Univ. of New York, Alfred, NY (USA). Inst. of Ceramic Superconductivity); Nichols, M.C.; Boehme, D.R. (Sandia National Labs., Livermore, CA (USA))

    1990-10-03

    A critical review of all of the reported structures and powder diffraction patterns in the uranium telluride system has been undertaken. Structures that are correct: Cubic -- UTe: no experimental pattern exists. Retain calculated 15--865. Cubic --U{sub 3}Te{sub 4}: retain the poor quality 12--610 but adopt the pattern calculated here. Cubic U{sub 2}Te{sub 3}: no experimental pattern exists. Adopt pattern calculated here. Orthorhombic UTe{sub 2}: Adopt the new pattern of Boehme et al. Monoclinic {alpha}UTe{sub 3} Adopt the new pattern of Boehme et al. Monoclinic {alpha}UTe{sub 3} Adopt the new pattern of Boehme et al. Orthorhombic {beta}UTe{sub 3}: Adopt pattern calculated here. Orthorhombic UTe{sub 5}: Adopt the new pattern of Boehme et al. Structures in need of refinement: Orthorhombic U{sub 2}Te{sub 3}:Adopt pattern calculated here over 34--807. Hexagonal U{sub 7}Te{sub 12}: Adopt pattern calculated here but retain 24--1368. Orthorhombic UTe{sub 1.78}: Adopt pattern calculated here and retain our modified 21--1404 reported for U{sub 4}Te{sub 7}. Orthorhombic UTe{sub 2.5}: Adopt pattern calculated here. Orthorhombic UTe{sub 3.4}: Accept recent pattern of Boehme et al. Phases for which no structures or reliable patterns exist: Orthorhombic U{sub 3}Te{sub 4}: no published pattern. Tetragonal U{sub 3}Te{sub 5}: three patterns 21--1407, 34--766 and 34--896 exit but all are of very poor quality. Phases which probably do not exist: Tetragonal UTe{sub 1.78}, Tetragonal UTe{sub 2}, Cubic UTe{sub 2} U{sub 3}Te{sub 7}(21--1402), U{sub 3}Te{sub 8}(21--1406).

  16. Validation of molecular crystal structures from powder diffraction data with dispersion-corrected density functional theory (DFT-D)

    International Nuclear Information System (INIS)

    Streek, Jacco van de; Neumann, Marcus A.

    2014-01-01

    The accuracy of 215 experimental organic crystal structures from powder diffraction data is validated against a dispersion-corrected density functional theory method. In 2010 we energy-minimized 225 high-quality single-crystal (SX) structures with dispersion-corrected density functional theory (DFT-D) to establish a quantitative benchmark. For the current paper, 215 organic crystal structures determined from X-ray powder diffraction (XRPD) data and published in an IUCr journal were energy-minimized with DFT-D and compared to the SX benchmark. The on average slightly less accurate atomic coordinates of XRPD structures do lead to systematically higher root mean square Cartesian displacement (RMSCD) values upon energy minimization than for SX structures, but the RMSCD value is still a good indicator for the detection of structures that deserve a closer look. The upper RMSCD limit for a correct structure must be increased from 0.25 Å for SX structures to 0.35 Å for XRPD structures; the grey area must be extended from 0.30 to 0.40 Å. Based on the energy minimizations, three structures are re-refined to give more precise atomic coordinates. For six structures our calculations provide the missing positions for the H atoms, for five structures they provide corrected positions for some H atoms. Seven crystal structures showed a minor error for a non-H atom. For five structures the energy minimizations suggest a higher space-group symmetry. For the 225 SX structures, the only deviations observed upon energy minimization were three minor H-atom related issues. Preferred orientation is the most important cause of problems. A preferred-orientation correction is the only correction where the experimental data are modified to fit the model. We conclude that molecular crystal structures determined from powder diffraction data that are published in IUCr journals are of high quality, with less than 4% containing an error in a non-H atom

  17. Three-dimensional electron diffraction as a complementary technique to powder X-ray diffraction for phase identification and structure solution of powders.

    Science.gov (United States)

    Yun, Yifeng; Zou, Xiaodong; Hovmöller, Sven; Wan, Wei

    2015-03-01

    Phase identification and structure determination are important and widely used techniques in chemistry, physics and materials science. Recently, two methods for automated three-dimensional electron diffraction (ED) data collection, namely automated diffraction tomography (ADT) and rotation electron diffraction (RED), have been developed. Compared with X-ray diffraction (XRD) and two-dimensional zonal ED, three-dimensional ED methods have many advantages in identifying phases and determining unknown structures. Almost complete three-dimensional ED data can be collected using the ADT and RED methods. Since each ED pattern is usually measured off the zone axes by three-dimensional ED methods, dynamic effects are much reduced compared with zonal ED patterns. Data collection is easy and fast, and can start at any arbitrary orientation of the crystal, which facilitates automation. Three-dimensional ED is a powerful technique for structure identification and structure solution from individual nano- or micron-sized particles, while powder X-ray diffraction (PXRD) provides information from all phases present in a sample. ED suffers from dynamic scattering, while PXRD data are kinematic. Three-dimensional ED methods and PXRD are complementary and their combinations are promising for studying multiphase samples and complicated crystal structures. Here, two three-dimensional ED methods, ADT and RED, are described. Examples are given of combinations of three-dimensional ED methods and PXRD for phase identification and structure determination over a large number of different materials, from Ni-Se-O-Cl crystals, zeolites, germanates, metal-organic frameworks and organic compounds to intermetallics with modulated structures. It is shown that three-dimensional ED is now as feasible as X-ray diffraction for phase identification and structure solution, but still needs further development in order to be as accurate as X-ray diffraction. It is expected that three-dimensional ED methods

  18. Three-dimensional electron diffraction as a complementary technique to powder X-ray diffraction for phase identification and structure solution of powders

    Directory of Open Access Journals (Sweden)

    Yifeng Yun

    2015-03-01

    Full Text Available Phase identification and structure determination are important and widely used techniques in chemistry, physics and materials science. Recently, two methods for automated three-dimensional electron diffraction (ED data collection, namely automated diffraction tomography (ADT and rotation electron diffraction (RED, have been developed. Compared with X-ray diffraction (XRD and two-dimensional zonal ED, three-dimensional ED methods have many advantages in identifying phases and determining unknown structures. Almost complete three-dimensional ED data can be collected using the ADT and RED methods. Since each ED pattern is usually measured off the zone axes by three-dimensional ED methods, dynamic effects are much reduced compared with zonal ED patterns. Data collection is easy and fast, and can start at any arbitrary orientation of the crystal, which facilitates automation. Three-dimensional ED is a powerful technique for structure identification and structure solution from individual nano- or micron-sized particles, while powder X-ray diffraction (PXRD provides information from all phases present in a sample. ED suffers from dynamic scattering, while PXRD data are kinematic. Three-dimensional ED methods and PXRD are complementary and their combinations are promising for studying multiphase samples and complicated crystal structures. Here, two three-dimensional ED methods, ADT and RED, are described. Examples are given of combinations of three-dimensional ED methods and PXRD for phase identification and structure determination over a large number of different materials, from Ni–Se–O–Cl crystals, zeolites, germanates, metal–organic frameworks and organic compounds to intermetallics with modulated structures. It is shown that three-dimensional ED is now as feasible as X-ray diffraction for phase identification and structure solution, but still needs further development in order to be as accurate as X-ray diffraction. It is expected that three

  19. Solving crystal structures from powder data. I. The role of the prior information in the two-stage method

    International Nuclear Information System (INIS)

    Altomare, A.; Carrozzini, B.; Giacovazzo, C.; Guagliardi, A.; Moliterni, A.G.G.; Rizzi, R.

    1996-01-01

    For pt.II see ibid., p.674-81, 1996. The principal limitation of the diffraction methods for crystal structure analysis from powder data is originated by the collapse of the three-dimensional reciprocal space into the one dimension of the powder diffraction pattern. The degradation of the information can make difficult even the solution of small crystal structures and can generate inefficiencies in the least-squares methods devoted to crystal structure refinement. In this paper, the current two-stage procedures, the first stage dedicated to powder-pattern decomposition and the second to direct phasing of powder data, are analysed. It is shown that in the first stage such procedures disregard a large amount of information that can become available during the process of crystal structure solution and analysis. The use of such information is essential for making direct-methods procedures more robust and for improving the accuracy of the least-squares techniques. The performances of EXTRA [Altomare, Burla, Cascarano, Giacovazzo, Guagliardi, Moliterni and Polidori (1995). J. Appl. Cryst. 28, 842-846], a program for full-pattern decomposition based on the Le Bail algorithm, and of SIRPOW.92 [Altomare, Burla, Cascarano, Giacovazzo, Guagliardi, Polidori and Camalli (1994). J. Appl. Cryst. 27, 435-436], a direct-methods program optimized for powder data, are discussed in order to offer to the reader a logical pathway for the analysis of the traditional techniques and for the proposition of a new approach. It is shown that pattern-decomposition programs based on the Le Bail algorithm are able to exploit the prior information in a more effective way than Pawley-method-based decomposition programs. (orig.)

  20. Morphology, Structure and Nonstoichiometry of ZnCr2O4 Nanophased Powder

    Directory of Open Access Journals (Sweden)

    O. Milosevic

    2003-10-01

    Full Text Available It is well established that gas/humidity-sensing properties of spinels are markedly influenced by their stoichiometry and microstructure. In this work nucleation and spinel phase development in the Zn-Cr-O system were investigated from the viewpoint of structural and morphological phenomena occurred during nanophased particle synthesis through aerosol reaction. The aerosol was generated from nitrates precursor solution using ultrasonic atomizer operated at 1.7 MHz. The influence of different decomposition schedules on the particle chemical content and morphology was determined by adjusting the processing parameters (aerosol droplet density 3.9x106 droplets/cm3, droplet velocity 0.035m/s, max. temperature 900oC and residence times 3, 6 and 9s. A composite particle structure comprised of primary crystallites sized from 22 to 44nm is revealed by SEM and TEM analysis. XRD structural analysis (crystallite size, microstrains, unit cell and ionic occupancies is performed in accordance with procedure based on Koalariet-Xfit program. A certain degree of non-stochiometry is characteristic for all powders. Homogenous distribution of the constituting elements and Zn/Cr ratio of about 0.68 are proved by EDAX mapping analysis in 470nm sized as-prepared particles. After additional treatment at 1000oC octahedral crystals form with the (111 surface dominat. Evaluated spinel non-stochiometry (Zn/Cr=0.58 is a result of the ZnO dissolving (1.9%wt in the stoichiometric ZnCr2O4. Determination of the way by which the ZnO is incorporated into the spinel lattice is performed according to the procedure based on calculation of both formation and attachment energies.

  1. Various continuum approaches for studying shock wave structure in carbon dioxide

    Science.gov (United States)

    Alekseev, I. V.; Kosareva, A. A.; Kustova, E. V.; Nagnibeda, E. A.

    2018-05-01

    Shock wave structure in carbon dioxide is studied using different continuum models within the framework of one-temperature thermal equilibrium flow description. Navier-Stokes and Euler equations as well as commonly used Rankine-Hugoniot equations with different specific heat ratios are used to find the gas-dynamic parameters behind the shock wave. The accuracy of the Rankine-Hugoniot relations in polyatomic gases is assessed, and it is shown that they give a considerable error in the predicted values of fluid-dynamic variables. The effect of bulk viscosity on the shock wave structure in CO2 is evaluated. Taking into account bulk viscosity yields a significant increase in the shock wave width; for the complete model, the shock wave thickness varies non-monotonically with the Mach number.

  2. Hydrogeologic framework of the uppermost principal aquifer systems in the Williston and Powder River structural basins, United States and Canada

    Science.gov (United States)

    Thamke, Joanna N.; LeCain, Gary D.; Ryter, Derek W.; Sando, Roy; Long, Andrew J.

    2014-01-01

    The glacial, lower Tertiary, and Upper Cretaceous aquifer systems in the Williston and Powder River structural basins within the United States and Canada are the uppermost principal aquifer systems and most accessible sources of groundwater for these energy-producing basins. The glacial aquifer system covers the northeastern part of the Williston structural basin. The lower Tertiary and Upper Cretaceous aquifer systems are present in about 91,300 square miles (mi2) of the Williston structural basin and about 25,500 mi2 of the Powder River structural basin. Directly under these aquifer systems are 800 to more than 3,000 feet (ft) of relatively impermeable marine shale that serves as a basal confining unit. The aquifer systems in the Williston structural basin have a shallow (less than 2,900 ft deep), wide, and generally symmetrical bowl shape. The aquifer systems in the Powder River structural basin have a very deep (as much as 8,500 ft deep), narrow, and asymmetrical shape.

  3. Study on titanium-magnesium composites with bicontinuous structure fabricated by powder metallurgy and ultrasonic infiltration.

    Science.gov (United States)

    Jiang, S; Huang, L J; An, Q; Geng, L; Wang, X J; Wang, S

    2018-05-01

    Titanium-magnesium (Ti-Mg) composites with bicontinuous structure have been successfully fabricated by powder metallurgy and ultrasonic infiltration for biomaterial potential. In the composites, Ti phase is distributed continuously by sintering necks, while Mg phase is also continuous, distributing at the interconnected pores surrounding the Ti phase. The results showed that the fabricated Ti-Mg composites exhibited low modulus and high strength, which are very suitable for load bearing biomedical materials. The composites with 100 µm and 230 µm particle sizes exhibited Young's modulus of 37.6 GPa and 23.4 GPa, 500.7 MPa and 340 MPa of compressive strength and 631.5 MPa and 375.2 MPa of bending strength, respectively. Moreover, both of the modulus and strength of the composites increase with decreasing of Ti particle sizes. In vitro study has been done for the preliminary evaluation of the Ti-Mg composites. Copyright © 2018 Elsevier Ltd. All rights reserved.

  4. Morphological and structural characterization of the Zn0,9Mn0,1O powder synthesized by combustion reaction and Pechini

    International Nuclear Information System (INIS)

    Ribeiro, M.A.; Torquato, R.; Simoes, A.N.; Costa, A.C.F.M.; Gama, L.; Kiminami, R.H.G.A.

    2009-01-01

    Zinc oxide, due to the piezoelectric and electro-optical characteristics, is used in application such as, chemical sensor, varistor, transparent conductive thin film and DMS. The aim of this work is to evaluate and compare structural and morphological characteristics of nanometric powders of Zn 0,9 Mn 0,1 O prepared by chemical synthesis of combustion reaction and Pechini method. The powders were characterized by XRD, SEM and BET. The XRD data shown to both studied method the presence of ZnO phase with hexagonal structure and without second phase. The powder prepared by combustion reaction presented 9% of reduction in crystallinity and 42% of increase in surface area in comparison with the powder prepared by Pechini method. The morphological analysis of the powder showed that both method produce powders with soft agglomerates constituted by nano size particles. (author)

  5. Structure-Activity Relationships for Rates of Aromatic Amine Oxidation by Manganese Dioxide.

    Science.gov (United States)

    Salter-Blanc, Alexandra J; Bylaska, Eric J; Lyon, Molly A; Ness, Stuart C; Tratnyek, Paul G

    2016-05-17

    New energetic compounds are designed to minimize their potential environmental impacts, which includes their transformation and the fate and effects of their transformation products. The nitro groups of energetic compounds are readily reduced to amines, and the resulting aromatic amines are subject to oxidation and coupling reactions. Manganese dioxide (MnO2) is a common environmental oxidant and model system for kinetic studies of aromatic amine oxidation. In this study, a training set of new and previously reported kinetic data for the oxidation of model and energetic-derived aromatic amines was assembled and subjected to correlation analysis against descriptor variables that ranged from general purpose [Hammett σ constants (σ(-)), pKas of the amines, and energies of the highest occupied molecular orbital (EHOMO)] to specific for the likely rate-limiting step [one-electron oxidation potentials (Eox)]. The selection of calculated descriptors (pKa, EHOMO, and Eox) was based on validation with experimental data. All of the correlations gave satisfactory quantitative structure-activity relationships (QSARs), but they improved with the specificity of the descriptor. The scope of correlation analysis was extended beyond MnO2 to include literature data on aromatic amine oxidation by other environmentally relevant oxidants (ozone, chlorine dioxide, and phosphate and carbonate radicals) by correlating relative rate constants (normalized to 4-chloroaniline) to EHOMO (calculated with a modest level of theory).

  6. Structure-Activity Relationships for Rates of Aromatic Amine Oxidation by Manganese Dioxide

    International Nuclear Information System (INIS)

    Salter-Blanc, Alexandra J.; Lyon, Molly A.; Science University, Portland, OR; Ness, Stuart C.; Science University, Portland, OR; Tratnyek, Paul G.; Science University, Portland, OR

    2016-01-01

    New energetic compounds are designed to minimize their potential environmental impacts, which includes their transformation and the fate and effects of their transformation products. The nitro groups of energetic compounds are readily reduced to amines, and the resulting aromatic amines are subject to oxidation and coupling reactions. Manganese dioxide (MnO 2 ) is a common environmental oxidant and model system for kinetic studies of aromatic amine oxidation. Here in this study, a training set of new and previously reported kinetic data for the oxidation of model and energetic-derived aromatic amines was assembled and subjected to correlation analysis against descriptor variables that ranged from general purpose [Hammett σ constants (σ − ), pK a s of the amines, and energies of the highest occupied molecular orbital (E HOMO )] to specific for the likely rate-limiting step [one-electron oxidation potentials (E ox )]. The selection of calculated descriptors (pK a ), E HOMO , and E ox ) was based on validation with experimental data. All of the correlations gave satisfactory quantitative structure-activity relationships (QSARs), but they improved with the specificity of the descriptor. The scope of correlation analysis was extended beyond MnO 2 to include literature data on aromatic amine oxidation by other environmentally relevant oxidants (ozone, chlorine dioxide, and phosphate and carbonate radicals) by correlating relative rate constants (normalized to 4-chloroaniline) to E HOMO (calculated with a modest level of theory).

  7. Energetics of intrinsic point defects in uranium dioxide from electronic-structure calculations

    International Nuclear Information System (INIS)

    Nerikar, Pankaj; Watanabe, Taku; Tulenko, James S.; Phillpot, Simon R.; Sinnott, Susan B.

    2009-01-01

    The stability range of intrinsic point defects in uranium dioxide is determined as a function of temperature, oxygen partial pressure, and non-stoichiometry. The computational approach integrates high accuracy ab initio electronic-structure calculations and thermodynamic analysis supported by experimental data. In particular, the density functional theory calculations are performed at the level of the spin polarized, generalized gradient approximation and includes the Hubbard U term; as a result they predict the correct anti-ferromagnetic insulating ground state of uranium oxide. The thermodynamic calculations enable the effects of system temperature and partial pressure of oxygen on defect formation energy to be determined. The predicted equilibrium properties and defect formation energies for neutral defect complexes match trends in the experimental literature quite well. In contrast, the predicted values for charged complexes are lower than the measured values. The calculations predict that the formation of oxygen interstitials becomes increasingly difficult as higher temperatures and reducing conditions are approached

  8. Influence of antimony on the elctrochemical behaviour and the structure of the lead dioxide active mass of lead/acid batteries

    Energy Technology Data Exchange (ETDEWEB)

    Pavlov, D. (Central Lab. of Electrochemical Power Sources, Bulgarian Academy of Sciences, Sofia (Bulgaria)); Dakhouche, A. (Central Lab. of Electrochemical Power Sources, Bulgarian Academy of Sciences, Sofia (Bulgaria)); Rogachev, T. (Central Lab. of Electrochemical Power Sources, Bulgarian Academy of Sciences, Sofia (Bulgaria))

    1993-01-29

    The effect of antimony on the formation of the skeleton structure of tubular electrodes filled with lead dioxide active mass (PAM) is investigated. Antimony is added as ions to the solution, as Sb[sub 2]O[sub 3] or Sb[sub 2]O[sub 5] to PAM, or as an additive to the electrode spine alloy. The effect of antimony on the crystallinity of PAM particles and agglomerates is examined. It is established that antimony increases the capacity of tubular powder electrodes when added either to the alloy or as antimony oxide to the PAM. It accelerates the processes of formation of the PAM skeleton structure and decreases the crystallinity of PAM particles and agglomerates. These effects of antimony are explained based on the concept of a gel-crystal structure for the PAM. Antimony improves the electron conductivity of gel zones. Its effect depends on the type and valency of the antimony ions, and on the density of the PAM. (orig.)

  9. Structural studies of carbon nanotubes by powder x-ray diffraction at SPring-8 and KEK PF

    CERN Document Server

    Maniwa, Y; Fujiwara, A

    2003-01-01

    Powder X-ray diffraction (XRD) studies on carbon nanotubes (CNTs) using synchrotron radiation are reported. In spite of the observed broad XRD peak profiles of two-dimensional triangular (hexagonal) lattice of single-wall carbon nanotubes (SWNTs), it was shown that useful structural information, such as the tube diameter and its distribution, can be deduced from detailed analysis of the characteristic XRD patterns. In particular, powder-XRD measurements were performed to study the phase transition of encapsulated materials inside SWNTs. In the C sub 7 sub 0 -one dimensional (1D) crystals formed inside SWNTs, importance of one-dimensionality in the C sub 7 sub 0 -molecular dynamics was suggested. It was also shown that water inside SWNTs undergoes a phase transition from liquid to an ice-nanotube structure below -38degC. Conversion process from SWNT to double-wall carbon nanotube (DWNT) was also studied by XRD.

  10. Improving accuracy of overhanging structures for selective laser melting through reliability characterization of single track formation on thick powder beds

    DEFF Research Database (Denmark)

    Mohanty, Sankhya; Hattel, Jesper Henri

    2016-01-01

    Repeatability and reproducibility of parts produced by selective laser melting is a standing issue, and coupled with a lack of standardized quality control presents a major hindrance towards maturing of selective laser melting as an industrial scale process. Consequently, numerical process...... modelling has been adopted towards improving the predictability of the outputs from the selective laser melting process. Establishing the reliability of the process, however, is still a challenge, especially in components having overhanging structures.In this paper, a systematic approach towards...... establishing reliability of overhanging structure production by selective laser melting has been adopted. A calibrated, fast, multiscale thermal model is used to simulate the single track formation on a thick powder bed. Single tracks are manufactured on a thick powder bed using same processing parameters...

  11. Aluminum powder metallurgy processing

    Energy Technology Data Exchange (ETDEWEB)

    Flumerfelt, J.F.

    1999-02-12

    The objective of this dissertation is to explore the hypothesis that there is a strong linkage between gas atomization processing conditions, as-atomized aluminum powder characteristics, and the consolidation methodology required to make components from aluminum powder. The hypothesis was tested with pure aluminum powders produced by commercial air atomization, commercial inert gas atomization, and gas atomization reaction synthesis (GARS). A comparison of the GARS aluminum powders with the commercial aluminum powders showed the former to exhibit superior powder characteristics. The powders were compared in terms of size and shape, bulk chemistry, surface oxide chemistry and structure, and oxide film thickness. Minimum explosive concentration measurements assessed the dependence of explosibility hazard on surface area, oxide film thickness, and gas atomization processing conditions. The GARS aluminum powders were exposed to different relative humidity levels, demonstrating the effect of atmospheric conditions on post-atomization processing conditions. The GARS aluminum powders were exposed to different relative humidity levels, demonstrating the effect of atmospheric conditions on post-atomization oxidation of aluminum powder. An Al-Ti-Y GARS alloy exposed in ambient air at different temperatures revealed the effect of reactive alloy elements on post-atomization powder oxidation. The pure aluminum powders were consolidated by two different routes, a conventional consolidation process for fabricating aerospace components with aluminum powder and a proposed alternative. The consolidation procedures were compared by evaluating the consolidated microstructures and the corresponding mechanical properties. A low temperature solid state sintering experiment demonstrated that tap densified GARS aluminum powders can form sintering necks between contacting powder particles, unlike the total resistance to sintering of commercial air atomization aluminum powder.

  12. Modelling and Simulation of Structural Deformation of Isothermal Subsurface Flow and Carbon Dioxide Injection

    KAUST Repository

    El-Amin, Mohamed

    2011-05-15

    Injection of CO2 in hydrocarbon reservoir has double benefit. On the one hand, it is a profitable method due to issues related to global warming, and on the other hand it is an effective mechanism to enhance hydrocarbon recovery. Such injection associates complex processes involving, e.g., solute transport of dissolved materials, in addition to local changes in density of the phases. Also, increasing carbon dioxide injection may cause a structural deformation of the medium, so it is important to include such effect into the model. The structural deformation modelling in carbon sequestration is important to evaluate the medium stability to avoid CO2 leakage to the atmosphere. On the other hand, geologic formation of the medium is usually heterogeneous and consists of several layers of different permeability. In this work we conduct numerical simulation of two-phase flow in a heterogeneous porous medium domain with dissolved solute transport as well as structural deformation effects. The solute transport of the dissolved component is described by concentration equation. The structural deformation for geomechanics is derived from a general local differential balance equation with neglecting the local mass balance of solid phase and the inertial force term. The flux continuity condition is used at interfaces between different permeability layers of the heterogeneous medium. We analyze the vertical migration of a CO2 plume injected into a 2D layered reservoir. Analysis of distribution of flow field components such as saturation, pressures, velocities, and CO2 concentration are presented.

  13. Investigation of high burnup structures in uranium dioxide applying cellular automata: algorithms and codes

    International Nuclear Information System (INIS)

    Akishina, E.P.; Kostenko, B.F.; Ivanov, V.V.

    2003-01-01

    A new method of research in spatial structures that result from uranium dioxide burning in nuclear reactors of modern atomic plants is suggested. The method is based on the presentation of images of the mentioned structures in the form of the working field of a cellular automaton (CA). First, it has allowed one to extract some important quantitative characteristics of the structures directly from the micrographs of the uranium fuel surface. Secondly, the CA has been found out to allow one to formulate easily the dynamics of the evolution of the studied structures in terms of such micrograph elements as spots, spots' boundaries, cracks, etc. Relation has been found between the dynamics and some exactly solvable models of the theory of cellular automata, in particular, the Ising model and the vote model. This investigation gives a detailed description of some CA algorithms which allow one to perform the fuel surface image processing and to model its evolution caused by burnup or chemical etching. (author)

  14. The effect of structural changes during sintering on the electric and magnetic traits of the Ni96.7Mo3.3 alloy nanostructured powder

    Directory of Open Access Journals (Sweden)

    Ribić-Zelenović L.

    2009-01-01

    Full Text Available Ni96.7Mo3.3 powder was electrochemically obtained. An X-ray diffraction analysis determined that the powder consisted of a 20% amorphous and 80% crystalline phase. The crystalline phase consisted of a nanocrystalline solid nickel and molybdenum solution with a face-centred cubic (FCC lattice with a high density of chaotically distributed dislocations and high microstrain value. The scanning electronic microscopy (SEM showed that two particle structures were formed: larger cauliflower-like particles and smaller dendriteshaped ones. The thermal stability of the alloy was examined by differential scanning calorimetry (DSC and by measuring the temperature dependence of the electrical resistivity and magnetic permeability. Structural powder relaxation was carried out in the temperature range of 450 K to 560 K causing considerable changes in the electrical resistivity and magnetic permeability. Upon structural relaxation, the magnetic permeability of the cooled alloy was about 80% higher than the magnetic permeability of the fresh powder. The crystallisation of the amorphous portion of the powder and crystalline grain increase occurred in the 630 K to 900 K temperature interval. Upon crystallisation of the amorphous phase and crystalline grain increase, the powder had about 50% lower magnetic permeability than the fresh powder and 3.6 times lower permeability than the powder where only structural relaxation took place.

  15. Unraveling the nature of electric field- and stress- induced structural transformations in soft PZT by a new powder poling technique.

    Science.gov (United States)

    Kalyani, Ajay Kumar; V, Lalitha K; James, Ajit R; Fitch, Andy; Ranjan, Rajeev

    2015-02-25

    A 'powder-poling' technique was developed to study electric field induced structural transformations in ferroelectrics exhibiting a morphotropic phase boundary (MPB). The technique was employed on soft PZT exhibiting a large longitudinal piezoelectric response (d(33) ∼ 650 pC N(-1)). It was found that electric poling brings about a considerable degree of irreversible tetragonal to monoclinic transformation. The same transformation was achieved after subjecting the specimen to mechanical stress, which suggests an equivalence of stress and electric field with regard to the structural mechanism in MPB compositions. The electric field induced structural transformation was also found to be accompanied by a decrease in the spatial coherence of polarization.

  16. Crystal structure refinement of α-Si3N4 using synchrotron radiation powder diffraction data: unbiased refinement strategy

    International Nuclear Information System (INIS)

    Toraya, H.

    2000-01-01

    The crystal structure of α-silicon nitride (Si 3 N 4 ) was refined by the Rietveld method using synchrotron radiation powder diffraction data (wavelength = 1.2 A) collected at station BL-4B2 in the photon factory. A refinement procedure that adopted a new weight function, w = 1/Y o e (Y o is the observed profile intensity and e ≅ 2), for the least-squares fitting [Toraya (1998). J. Appl. Cryst. 31, 333-343] was studied. The most reasonable structural parameters were obtained with e = 1.7. Crystal data of α-Si 3 N 4 : trigonal, P31c, a = 7.75193 (3), c = 5.61949 (4) A, V = 292.447 (3) A 3 , Z = 4; R p = 5.08, R wp = 6.50, R B = 3.36, R F = 2.26%. The following five factors are considered equally important for deriving accurate structural parameters from powder diffraction data: (i) sufficiently large sin θ/λ range of >0.8 A -1 ; (ii) adequate counting statistics; (iii) correct profile model; (iv) proper weighting on observations to give a uniform distribution of the mean weighted squared residuals; (v) high-angular-resolution powder diffraction data. (orig.)

  17. Structural properties of porous materials and powders used in different fields of science and technology

    CERN Document Server

    Volfkovich, Yury Mironovich; Bagotsky, Vladimir Sergeevich

    2014-01-01

    This book provides a comprehensive and concise description of most important aspects of experimental and theoretical investigations of porous materials and powders, with the use and application of these materials in different fields of science, technology, national economy and environment. It allows the reader to understand the basic regularities of heat and mass transfer and adsorption occurring in qualitatively different porous materials and products, and allows the reader to optimize the functional properties of porous and powdered products and materials. Written in an straightforward and transparent manner, this book is accessible to both experts and those without specialist knowledge, and it is further elucidated by drawings, schemes and photographs. Porous materials and powders with different pore sizes are used in many areas of industry, geology, agriculture and science. These areas include (i) a variety of devices and supplies; (ii) thermal insulation and building materials; (iii) oil-bearing geologic...

  18. Structure and Mechanical Properties of Powdered Quasicrystalline Al94Fe3Cr3 Alloy Consolidated by Quasi-Hydrostatic Compression

    Directory of Open Access Journals (Sweden)

    Alexandra I. Yurkova

    2017-10-01

    Full Text Available Background. Quasicrystalline Al-based alloys belong to the class of the state-of-the-art metal materials for the application in light engineering constructions, primarily in aviation and the motor transport industry. These materials are commonly made in the form of powders, which is due to the high productivity of powder metallurgy methods. Therefore, the powder consolidation methods are of great importance in the production of products, which is associated with certain difficulties, and consequently, they should be chosen considering not only the quasicrystals’ propensity to brittle fracture but also the metastable nature of the quasicrystalline phases. Certain possibilities in this direction are provided by the quasi-hydrostatic compression method, which can provide a non-trivial combination of strength and ductility properties of materials. Objective. The aim of the paper is to investigate the effect of high pressure under quasi-hydrostatic compression on the formation of structure, phase composition and mechanical properties of the quasicrystalline Al94Fe3Cr3 alloy. Methods. 40 μm Al94Fe3Cr3 alloy quasicrystalline powder was fabricated by water-atomisation technique. Consolidation of quasicrystalline powder was performed by quasi-hydrostatic compression technique in high-pressure cells at room temperature at a pressure of 2.5, 4, and 6 hPa. Structure, phase composition and mechanical characteristics of Al94Fe3Cr3 alloy were performed by scanning electron microscopy (SEM, X-ray diffraction andmicromechanical tests. Results. Using the phase X-ray analysis and SEM, the content of the quasicrystalline icosahedral phase (i-phase in the Al94Fe3Cr3 alloy structure was completely preserved after its consolidation at different pressures (2.5, 4, and 6 hPa under quasi-hydrostatic compression at room temperature. Despite the high pressure applied in the consolidation process, the morphology of quasicrystalline phase particles located in the a

  19. Validation of molecular crystal structures from powder diffraction data with dispersion-corrected density functional theory (DFT-D).

    Science.gov (United States)

    van de Streek, Jacco; Neumann, Marcus A

    2014-12-01

    In 2010 we energy-minimized 225 high-quality single-crystal (SX) structures with dispersion-corrected density functional theory (DFT-D) to establish a quantitative benchmark. For the current paper, 215 organic crystal structures determined from X-ray powder diffraction (XRPD) data and published in an IUCr journal were energy-minimized with DFT-D and compared to the SX benchmark. The on average slightly less accurate atomic coordinates of XRPD structures do lead to systematically higher root mean square Cartesian displacement (RMSCD) values upon energy minimization than for SX structures, but the RMSCD value is still a good indicator for the detection of structures that deserve a closer look. The upper RMSCD limit for a correct structure must be increased from 0.25 Å for SX structures to 0.35 Å for XRPD structures; the grey area must be extended from 0.30 to 0.40 Å. Based on the energy minimizations, three structures are re-refined to give more precise atomic coordinates. For six structures our calculations provide the missing positions for the H atoms, for five structures they provide corrected positions for some H atoms. Seven crystal structures showed a minor error for a non-H atom. For five structures the energy minimizations suggest a higher space-group symmetry. For the 225 SX structures, the only deviations observed upon energy minimization were three minor H-atom related issues. Preferred orientation is the most important cause of problems. A preferred-orientation correction is the only correction where the experimental data are modified to fit the model. We conclude that molecular crystal structures determined from powder diffraction data that are published in IUCr journals are of high quality, with less than 4% containing an error in a non-H atom.

  20. Effect of intense vibration treatment on the powder fine structure and reaction ability during sintering

    International Nuclear Information System (INIS)

    Pribytkov, G.A.; Chzhan Khajfen; Yuj Baokhaj; Khu Zoangchi

    2003-01-01

    Effects of a vibration grinding treatment of TiC-Ni and TiC-Ni-Cr titanium carbide-metal powder composition on the size of X-ray coherent scattering zones as well as the melt and crystallization temperatures under liquid-phase sintering have been investigated. Hardness and strength of composites sintered from the blends grinded for 4 h and more are found to be decreased that is explained by high porosity due to oxygen contamination of powder blends during a dry grinding treatment [ru

  1. Structural, optical, and magnetic properties of Fe doped In{sub 2}O{sub 3} powders

    Energy Technology Data Exchange (ETDEWEB)

    Krishna, N. Sai [Thin Films Laboratory, School of Advanced Sciences, VIT University, Vellore 632 014, Tamilnadu (India); Kaleemulla, S., E-mail: skaleemulla@gmail.com [Thin Films Laboratory, School of Advanced Sciences, VIT University, Vellore 632 014, Tamilnadu (India); Amarendra, G. [Materials Science Group, Indira Gandhi Centre for Atomic Research, Kalpakkam 603 102, Tamilnadu (India); UGC-DAE-CSR, Kalpakkam Node, Kokilamedu 603 104, Tamilnadu (India); Rao, N. Madhusudhana; Krishnamoorthi, C.; Kuppan, M.; Begam, M. Rigana [Thin Films Laboratory, School of Advanced Sciences, VIT University, Vellore 632 014, Tamilnadu (India); Reddy, D. Sreekantha [Department of Physics and Sungkyunkwan Advanced Institute of Nanotechnology (SAINT), Sungkyunkwan University, Suwon 440-746 (Korea, Republic of); Omkaram, I. [Department of Electronics and Radio Engineering, Kyung Hee University, Yongin-si, Gyeonggi-do 446-701 (Korea, Republic of)

    2015-01-15

    Highlights: • Synthesis of Fe doped In{sub 2}O{sub 3} powders using a solid state reaction. • Characterization of the samples using XRD, UV–vis-NIR, FT-IR, and VSM. • All Fe doped In{sub 2}O{sub 3} powders exhibited the cubic structure of In{sub 2}O{sub 3}. • All the Fe doped In{sub 2}O{sub 3} samples exhibited room temperature ferromagnetism. - Abstract: Iron doped indium oxide dilute magnetic semiconductor (In{sub 1−x}Fe{sub x}){sub 2}O{sub 3} (x = 0.00, 0.03, 0.05, and 0.07) powders were synthesized by standard solid state reaction method followed by vacuum annealing. The effect of Fe concentration on structural, optical, and magnetic properties of the (In{sub 1−x}Fe{sub x}){sub 2}O{sub 3} powders have been systematically studied. X-ray diffraction patterns confirmed the polycrystalline cubic structure of all the samples. An optical band gap increases from 3.12 eV to 3.16 eV while Fe concentration varying from 0.03 to 0.07. Magnetic studies reveal that virgin/undoped In{sub 2}O{sub 3} is diamagnetic. However, all the Fe-doped In{sub 2}O{sub 3} samples are ferromagnetic. The saturation magnetization (M{sub s}) of ferromagnetic (In{sub 1−x}Fe{sub x}){sub 2}O{sub 3} (x = 0.03, 0.05, and 0.07) samples increases from 11.56 memu/g to 148.64 memu/g with x = 0.03–0.07. The observed ferromagnetism in these samples was attributed to magnetic nature of the dopant (Fe) as well as defects created in the samples during vacuum annealing.

  2. Theoretical study using electronic structure calculations of uranium and cerium dioxides containing defects and impurities

    International Nuclear Information System (INIS)

    Shi, Lei

    2016-01-01

    Uranium dioxide (UO_2) is the most widely used nuclear fuel in existing nuclear reactors around the world. While in service for energy supply, UO_2 is submitted to the neutron flux and undergoes nuclear fission chain reactions, which create large number of fission products and point defects. The study of the behavior of the fission products and point defects is important to understand the fuel properties under irradiation. We conduct electronic structure calculations based on the density functional theory (DFT) to model this radiation damage at the atomic scale. The DFT+U method is used to describe the strong correlation of the 4f electrons of cerium and 5f electrons of uranium in the materials studied (UO_2, CeO_2 and (U, Ce)O_2). (U, Ce)O_2 is studied because it is considered as a low radioactive model material of mixed actinide oxides such as the MOX fuel (U, Pu)O_2 used in light water reactors and fast neutron reactors. Cerium dioxide (CeO_2) is studied to provide reference data of (U, Ce)O_2. We perform a DFT+U study of point defects and gaseous fission products (Xe and Kr) in CeO_2 and compare our results to the existing ones of UO_2. We study the bulk properties as well as the behavior of defects for (U, Ce)O_2, and compare our results to the ones of (U, Pu)O_2. Furthermore, for the study of defects in UO_2, methodological improvements are explored considering the spin-orbit coupling effect and the finite-size effect of the simulation supercell. (author) [fr

  3. Investigating the structural changes of uranium dioxide dependent on additives, Phase I - Uranium-oxide system from structural-phase aspect

    International Nuclear Information System (INIS)

    Manojlovic, Lj.

    1962-12-01

    Having in mind the complex structure of the system uranium-oxygen, and that experimental studies of this system lead to controversial conclusions, an extensive review and analysis of the papers published on this subject were needed. This review wold be very useful for interpreting the expected structural changes of the uranium dioxide dependent on the additives

  4. In situ effects of titanium dioxide nanoparticles on community structure of freshwater benthic macroinvertebrates.

    Science.gov (United States)

    Jovanović, Boris; Milošević, Djuradj; Piperac, Milica Stojković; Savić, Ana

    2016-06-01

    For the first time in the current literature, the effect of titanium dioxide (TiO2) nanoparticles on the community structure of macroinvertebrates has been investigated in situ. Macroinvertebrates were exposed for 100 days to an environmentally relevant concentration of TiO2 nanoparticles, 25 mg kg(-1) in sediment. Czekanowski's index was 0.61, meaning 39% of the macroinvertebrate community structure was affected by the TiO2 treatment. Non-metric multidimensional scaling (NMDS) visualized the qualitative and quantitative variability of macroinvertebrates at the community level among all samples. A distance-based permutational multivariate analysis of variance (PERMANOVA) revealed the significant effect of TiO2 on the macroinvertebrate community structure. The indicator value analysis showed that the relative frequency and abundance of Planorbarius corneus and Radix labiata were significantly lower in the TiO2 treatment than in the control. Meanwhile, Ceratopogonidae, showed a significantly higher relative frequency and abundance in the TiO2 treatment than in the control. Copyright © 2016 Elsevier Ltd. All rights reserved.

  5. Hierarchically structured nanoporous carbon tubes for high pressure carbon dioxide adsorption

    Directory of Open Access Journals (Sweden)

    Julia Patzsch

    2017-05-01

    Full Text Available Mesoscopic, nanoporous carbon tubes were synthesized by a combination of the Stoeber process and the use of electrospun macrosized polystyrene fibres as structure directing templates. The obtained carbon tubes have a macroporous nature characterized by a thick wall structure and a high specific surface area of approximately 500 m²/g resulting from their micro- and mesopores. The micropore regime of the carbon tubes is composed of turbostratic graphitic areas observed in the microstructure. The employed templating process was also used for the synthesis of silicon carbide tubes. The characterization of all porous materials was performed by nitrogen adsorption at 77 K, Raman spectroscopy, infrared spectroscopy, thermal gravimetric analysis (TGA, scanning electron microscopy (SEM as well as transmission electron microscopy (TEM. The adsorption of carbon dioxide on the carbon tubes at 25 °C at pressures of up to 30 bar was studied using a volumetric method. At 26 bar, an adsorption capacity of 4.9 mmol/g was observed. This is comparable to the adsorption capacity of molecular sieves and vertically aligned carbon nanotubes. The high pressure adsorption process of CO2 was found to irreversibly change the microporous structure of the carbon tubes.

  6. Photocatalytically active titanium dioxide nanopowders: Synthesis, photoactivity and magnetic separation

    International Nuclear Information System (INIS)

    Nikkanen, J-P; Heinonen, S; Saarivirta, E Huttunen; Honkanen, M; Levänen, E

    2013-01-01

    Two approaches were used to obtain nanocrystalline titanium dioxide (TiO 2 ) photocatalyst powders. Firstly, low-temperature synthesis method and secondly liquid flame spraying. The structural properties of the produced powders were determined with X-ray diffraction, transmission electron microscopy and nitrogen adsorption tests. The photocatalytic properties of the powders were studied with methylene blue (MB) discoloration tests. After discolorations tests, TiO 2 was coagulated with magnetite particles using FeCl 3 ·6 H 2 O at a fixed pH value. Magnetic separation of coagulated TiO 2 and magnetite was carried out by a permanent magnet. The obtained results showed that the particle size of the powders synthesized at low-temperature was very small and the specific surface area high. The phase content of the powder was also shown to depend greatly on the acidity of the synthesis solution. Powder synthesized by liquid flame spraying was mixture of anatase and rutile phases with essentially larger particle size and lower specific surface area than those of low-temperature synthesized powders. The MB discoloration test showed that photocatalytic activity depends on the phase structure as well as the specific surface area of the synthesized TiO 2 powder. The magnetic separation of TiO 2 –magnetite coagulate from solution proved to be efficient around pH:8

  7. Synthesis and structural, magnetic and magnetotransport properties of permalloy powders containing nanoparticles prepared by arc discharge

    International Nuclear Information System (INIS)

    Prakash, Tushara; Williams, Grant V.M.; Kennedy, John; Murmu, Peter P.; Leveneur, Jérôme; Chong, Shen V.; Rubanov, Sergey

    2014-01-01

    Highlights: • New method of arc discharge used to synthesise permalloy containing nanoparticles. • The highest quality powders were made using a 78% Ni permalloy rod in N 2 . • The Saturation moment was slightly less and the coercive field was low (3 mT). • MR contributions from the spin-dependent tunneling between the particles. - Abstract: We report the synthesis of permalloy powders that were made using an arc-discharge method and with 78% or 45% Ni concentrations in N 2 or Ar. Our research was motivated by the fact that magnetic nanoparticles displaying large magnetoresistances are useful for magnetic field sensors applications. The permalloy powders contained some nanoparticles and the particle sizes ranged from 10 nm to ∼20 μm. The highest quality powders were made using a 78% Ni permalloy rod in N 2 where the coercivity was low (0.3 mT) and the saturation moment per formula unit was slightly less than that expected for the bulk compound. Magnetoresistance was observed in a cold pressed pellet where it is likely to be dominated by the ordinary magnetoresistance and spin-dependent tunneling between the particles

  8. Controlling rheology and structure of sweet potato starch noodles with high broccoli powder content by hydrocolloids

    NARCIS (Netherlands)

    Silva, E.; Birkenhake, M.; Scholten, E.; Sagis, L.M.C.; Linden, van der E.

    2013-01-01

    Incorporating high volume fractions of broccoli powder in starch noodle dough has a major effect on its shear modulus, as a result of significant swelling of the broccoli particles. Several hydrocolloids with distinct water binding capacity (locust bean gum (LBG), guar gum, konjac glucomannan (KG),

  9. The effect of process control agent on the structure and magnetic properties of nanocrystalline mechanically alloyed Fe–45% Ni powders

    Energy Technology Data Exchange (ETDEWEB)

    Gheisari, Kh., E-mail: khgheisari@scu.ac.ir [Department of Materials Science and Engineering, Faculty of Engineering, Shahid Chamran University, Ahvaz (Iran, Islamic Republic of); Javadpour, S. [Department of Materials Science and Engineering, School of Engineering, Shiraz University, Shiraz (Iran, Islamic Republic of)

    2013-10-15

    In this study, nanocrystalline Fe-45 wt% Ni alloy powders were prepared by mechanical alloying via high-energy ball milling. The effect of adding stearic acid as a process control agent (PCA) on the particle size, structure and magnetic properties of Fe-45 wt% Ni alloy powders have been studied by X-ray diffraction, scanning electron microscope and vibrating sample magnetometer measurements. The results show that the addition of 1 wt% PCA causes fine uniform spherical powder particles of the fcc γ-(Fe, Ni) phase to be formed after 48 h milling time. It is also found that crystallite size, lattice strain and content of γ-(Fe, Ni) phase are three of the most important variables that are significantly affected by PCA content and can influence the magnetic properties. - Highlights: • Different amount of stearic acid as a PCA was used during milling. • Particle size and crystallite size decrease with increasing PCA content. • The addition of 1 wt% PCA leads to a good combination of structure and magnetic properties.

  10. The effect of process control agent on the structure and magnetic properties of nanocrystalline mechanically alloyed Fe–45% Ni powders

    International Nuclear Information System (INIS)

    Gheisari, Kh.; Javadpour, S.

    2013-01-01

    In this study, nanocrystalline Fe-45 wt% Ni alloy powders were prepared by mechanical alloying via high-energy ball milling. The effect of adding stearic acid as a process control agent (PCA) on the particle size, structure and magnetic properties of Fe-45 wt% Ni alloy powders have been studied by X-ray diffraction, scanning electron microscope and vibrating sample magnetometer measurements. The results show that the addition of 1 wt% PCA causes fine uniform spherical powder particles of the fcc γ-(Fe, Ni) phase to be formed after 48 h milling time. It is also found that crystallite size, lattice strain and content of γ-(Fe, Ni) phase are three of the most important variables that are significantly affected by PCA content and can influence the magnetic properties. - Highlights: • Different amount of stearic acid as a PCA was used during milling. • Particle size and crystallite size decrease with increasing PCA content. • The addition of 1 wt% PCA leads to a good combination of structure and magnetic properties

  11. Structural study of Sr{sub 2}CuO{sub 3+delta} by neutron powder diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Shimakawa, Y. [NEC Corp., Tsukuba (Japan). Fundamental Research Labs.; Jorgensen, J.D.; Mitchell, J.F.; Hunter, B.A. [Argonne National Lab., IL (United States); Shaked, S. [Israel Atomic Energy Commission, Beersheba (Israel). Nuclear Research Center-Negev][Ben-Gurion Univ. of the Negev, Beersheba (Israel). Dept. of Physics; Hinks, D.G.; Hitterman, R.L. [Argonne National Lab., IL (United States); Hiroi, Z.; Takano, M. [Kyoto Univ., Uji (Japan). Inst. for Chemical Research

    1996-11-01

    Average crystal structures of superconducting Sr{sub 2}CuO{sub 3+{delta}} synthesized at ambient pressure from a hydroxometallate precursor were refined from neutron powder diffraction data. A simplified model was used to fit the modulated superstructures. Both compounds have an oxygen deficient La{sub 2}CuO{sub 4}-type tetragonal T structure with O vacancies located in the CuO{sub 2} planes, not in the Sr{sub 2}O{sub 2} layers. This raises important questions about the superconductivity in Sr{sub 2}CuO{sub 3+{delta}} reported to be a 70 K superconductor.

  12. Structural controls on the emission of magmatic carbon dioxide gas, Long Valley Caldera, USA

    Science.gov (United States)

    Lucic, Gregor; Stix, John; Wing, Boswell

    2015-04-01

    We present a degassing study of Long Valley Caldera that explores the structural controls upon emissions of magmatic carbon dioxide gas. A total of 223 soil gas samples were collected and analyzed for stable carbon isotopes using a field-portable cavity ring-down spectrometer. This novel technique is flexible, accurate, and provides sampling feedback on a daily basis. Sampling sites included major and minor volcanic centers, regional throughgoing faults, caldera-related structures, zones of elevated seismicity, and zones of past and present hydrothermal activity. The classification of soil gases based on their δ13C and CO2 values reveals a mixing relationship among three end-members: atmospheric, biogenic, and magmatic. Signatures dominated by biogenic contributions (~4 vol %, -24‰) are found on the caldera floor, the interior of the resurgent dome, and areas associated with the Hilton Creek and Hartley Springs fault systems. With the introduction of the magmatic component (~100 vol %, -4.5‰), samples acquire mixing and hydrothermal signatures and are spatially associated with the central caldera and Mammoth Mountain. In particular, they are concentrated along the southern margin of the resurgent dome where the interplay between resurgence-related reverse faulting and a bend in the regional fault system has created a highly permeable fracture network, suitable for the formation of shallow hydrothermal systems. This contrasts with the south moat, where despite elevated seismicity, a thick sedimentary cover has formed an impermeable cap, inhibiting the ascent of fluids and gases to the surface.

  13. Computer simulation of structural modifications induced by highly energetic ions in uranium dioxide

    Energy Technology Data Exchange (ETDEWEB)

    Sasajima, Y., E-mail: sasajima@mx.ibaraki.ac.jp [Department of Materials Science and Engineering, Faculty of Engineering, Ibaraki University, 4-12-1 Nakanarusawa, Hitachi 316-8511 (Japan); Frontier Research Center for Applied Atomic Sciences, Ibaraki University, Shirakata 162-4, Tokai 319-1106 (Japan); Osada, T. [Graduate School of Science and Engineering, Ibaraki University, 4-12-1 Nakanarusawa, Hitachi 316-8511 (Japan); Ishikawa, N. [Japan Atomic Energy Agency (JAEA), Shirakata Shirane 2-4, Tokai 319-1195 (Japan); Iwase, A. [Department of Materials Science, Osaka Prefecture University, Gakuen-cho 1-1, Sakai 599-8531 (Japan)

    2013-11-01

    The structural modification caused by the high-energy-ion irradiation of single-crystalline uranium dioxide was simulated by the molecular dynamics method. As the initial condition, high kinetic energy was supplied to the individual atoms within a cylindrical region of nanometer-order radius located in the center of the specimen. The potential proposed by Basak et al. [C.B. Basak, A.K. Sengupta, H.S. Kamath, J. Alloys Compd. 360 (2003) 210–216] was utilized to calculate interaction between atoms. The supplied kinetic energy was first spent to change the crystal structure into an amorphous one within a short period of about 0.3 ps, then it dissipated in the specimen. The amorphous track radius R{sub a} was determined as a function of the effective stopping power gS{sub e}, i.e., the kinetic energy of atoms per unit length created by ion irradiation (S{sub e}: electronic stopping power, g: energy transfer ratio from stopping power to lattice vibration energy). It was found that the relationship between R{sub a} and gS{sub e} follows the relation R{sub a}{sup 2}=aln(gS{sub e})+b. Compared to the case of Si and β-cristobalite single crystals, it was harder to produce amorphous track because of the long range interaction between U atoms.

  14. Computer simulation of structural modifications induced by highly energetic ions in uranium dioxide

    International Nuclear Information System (INIS)

    Sasajima, Y.; Osada, T.; Ishikawa, N.; Iwase, A.

    2013-01-01

    The structural modification caused by the high-energy-ion irradiation of single-crystalline uranium dioxide was simulated by the molecular dynamics method. As the initial condition, high kinetic energy was supplied to the individual atoms within a cylindrical region of nanometer-order radius located in the center of the specimen. The potential proposed by Basak et al. [C.B. Basak, A.K. Sengupta, H.S. Kamath, J. Alloys Compd. 360 (2003) 210–216] was utilized to calculate interaction between atoms. The supplied kinetic energy was first spent to change the crystal structure into an amorphous one within a short period of about 0.3 ps, then it dissipated in the specimen. The amorphous track radius R a was determined as a function of the effective stopping power gS e , i.e., the kinetic energy of atoms per unit length created by ion irradiation (S e : electronic stopping power, g: energy transfer ratio from stopping power to lattice vibration energy). It was found that the relationship between R a and gS e follows the relation R a 2 =aln(gS e )+b. Compared to the case of Si and β-cristobalite single crystals, it was harder to produce amorphous track because of the long range interaction between U atoms

  15. Neutron powder diffraction study of nuclear and magnetic structures of oxidized and reduced YBa2Fe3O8+w

    International Nuclear Information System (INIS)

    Karen, P.; Kjekshus, A.; Huang, Q.; Karen, V.L.; Lynn, J.W.; Rosov, N.; Natali Sora, I.; Santoro, A.

    2003-01-01

    YBa 2 Fe 3 O 8+w has been investigated by neutron powder diffraction as function of temperature and oxygen nonstoichiometry close to the limits of the homogeneity range, -0.24 0) in the structural layers of Y, or by creating oxygen vacancies (w 2 Cu 3 O 6+w' upon oxidation. The effects of nonstoichiometry on these related crystal structures are discussed in terms of bond-valence sums. The cooperative magnetic structure for all compositions is based on a larger cell related to the nuclear cell by the transformation matrix (11-bar0/110/002), having orthorhombic symmetry when the nuclear structure is tetragonal and monoclinic symmetry when the nuclear structure is orthorhombic. The iron moments are coupled antiferromagnetically in all three directions, the Neel temperature is almost constant as a function of w (T N ∼660 K), and so is also the low-temperature saturation moment μ AF ∼4.0μ B

  16. Fabrication of Cu-Ag core-shell bimetallic superfine powders by eco-friendly reagents and structures characterization

    International Nuclear Information System (INIS)

    Zhao Jun; Zhang Dongming; Zhao Jie

    2011-01-01

    Superfine bimetallic Cu-Ag core-shell powders were synthesized by reduction of copper sulfate pentahydrate and silver nitrate with eco-friendly ascorbic acid as a reducing agent and cyclodextrins as a protective agent in an aqueous system. The influence of Ag/Cu ratio on coatings was investigated. Ag was homogeneously distributed on the surface of Cu particles at a mole ratio of Ag/Cu=1. FE-SEM showed an uniformity of Ag coatings on Cu particles. Antioxidation of Cu particles was improved by increasing Ag/Cu ratio. TEM-EDX and UV-vis spectra also revealed that Cu cores were covered by Ag nanoshells on the whole. The surface composition analysis by XPS indicated that only small parts of Cu atoms in the surface were oxidized. It was noted that the hindrance of cyclodextrins chemisorbed on particles plays an important role in forming high quality and good dispersity Cu-Ag (Cu-Ag) core-shell powders. - Graphical abstract: Mechanism of fabricating Cu-Ag particles with good dispersibility using β-CDs as a protective agent was studied because of its special structure. Highlights: → Green supramolecular β-CD used as a protective agent and ascorbic acid(Vc) as a reducing agent to fabricate Cu-Ag powders. → Particles are monodisperse and the diameter is close to nanoscale(100-150 nm). → Resistance of Cu particles to oxidation was higher. → Formation mechanism explained.

  17. Influence of Waste Glass Powder Addition on the Pore Structure and Service Properties of Cement Mortars

    Directory of Open Access Journals (Sweden)

    José Marcos Ortega

    2018-03-01

    Full Text Available At present, reusing waste constitutes an important challenge in order to reach a more sustainable environment. The cement industry is an important pollutant industrial sector. Therefore, the reduction of its CO2 emissions is now a popular topic of study. One way to lessen those emissions is partially replacing clinker with other materials. In this regard, the reuse of waste glass powder as a clinker replacement could be possible. This is a non-biodegradable residue that permanently occupies a large amount of space in dumping sites. The aim of this work is to study the long-term effects (400 days of the addition of waste glass powder on the microstructure and service properties of mortars that incorporate up to 20% of this addition as clinker replacement. The microstructure has been characterised using the non-destructive impedance spectroscopy technique and mercury intrusion porosimetry. Furthermore, differential thermal analysis was also performed. Compressive strength and both steady-state and non-steady-state chloride diffusion coefficients have also been determined. Considering the obtained results, mortars with 10% and 20% waste glass powder showed good service properties until 400 days, similar to or even better than those made with ordinary Portland cement without additions, with the added value of contributing to sustainability.

  18. Photoluminescence and hydrogen gas-sensing properties of titanium dioxide nanostructures synthesized by hydrothermal treatments

    CSIR Research Space (South Africa)

    Sikhwivhilu, LM

    2012-03-01

    Full Text Available Titanium dioxide (TiO2) nanostructures were synthesized by microwave-assisted and conventionally heated hydrothermal treatment of TiO2 powder. The tubular structures were converted to a rodlike shape by sintering the samples at various temperatures...

  19. Structure and dielectric properties in the radio frequency range of polymer composites based on vanadium dioxide

    Directory of Open Access Journals (Sweden)

    Kolbunov V.R.

    2015-06-01

    Full Text Available Polymer composites with active fillers are recently considered to be promising materials for the design of new functional devices with controllable properties and are intensively investigated. Dielectric studies are one of the most effective methods for studying structural features and mechanisms of conductivity formation for this type of two-component systems. The paper presents research results of the dielectric characteristics in the range of radio frequency of 50 kHz — 10 MHz and temperature range of 30—60°C of polyethylene composites of vanadium dioxide with different volume fractions of filler. Two dispersion areas were found: a high-frequency area caused by the Maxwell charge separation on the boundaries of the polyethylene matrix — conductive filler of VI2 crystallites, and a low frequency area associated with the presence of the transition layer at this boundary. The relative permittivity of the composite has a tendency to a decrease in absolute value with increasing temperature. The analysis of the low-frequency dependence of the dielectric constant of the value of the filler’s volume fraction revealed that the investigated composite belongs to two-component statistical mixtures with a transition layer between the components.

  20. Electronic structure calculations of atomic transport properties in uranium dioxide: influence of strong correlations

    International Nuclear Information System (INIS)

    Dorado, B.

    2010-09-01

    Uranium dioxide UO 2 is the standard nuclear fuel used in pressurized water reactors. During in-reactor operation, the fission of uranium atoms yields a wide variety of fission products (FP) which create numerous point defects while slowing down in the material. Point defects and FP govern in turn the evolution of the fuel physical properties under irradiation. In this study, we use electronic structure calculations in order to better understand the fuel behavior under irradiation. In particular, we investigate point defect behavior, as well as the stability of three volatile FP: iodine, krypton and xenon. In order to take into account the strong correlations of uranium 5f electrons in UO 2 , we use the DFT+U approximation, based on the density functional theory. This approximation, however, creates numerous metastable states which trap the system and induce discrepancies in the results reported in the literature. To solve this issue and to ensure the ground state is systematically approached as much as possible, we use a method based on electronic occupancy control of the correlated orbitals. We show that the DFT+U approximation, when used with electronic occupancy control, can describe accurately point defect and fission product behavior in UO 2 and provide quantitative information regarding point defect transport properties in the oxide fuel. (author)

  1. Structural and magnetic properties of the nanocomposite materials based on a mesoporous silicon dioxide matrix

    Energy Technology Data Exchange (ETDEWEB)

    Grigor’eva, N. A., E-mail: natali@lns.pnpi.spb.ru [St. Petersburg State University (Russian Federation); Eckerlebe, H. [Helmholtz-Zentrum Geesthacht (Germany); Eliseev, A. A.; Lukashin, A. V.; Napol’skii, K. S. [Moscow State University (Russian Federation); Kraje, M. [Reactor Institute Delft (Netherlands); Grigor’ev, S. V. [St. Petersburg State University (Russian Federation)

    2017-03-15

    The structural and magnetic properties of the mesoporous systems based on silicon dioxide with a regular hexagonal arrangement of pores several microns in length and several nanometers in diameter, which are filled with iron compound nanofilaments in various chemical states, are studied in detail. The studies are performed using the following mutually complementary methods: transmission electron microscopy, SQUID magnetometry, electron spin resonance, Mössbauer spectroscopy, polarized neutron small-angle diffraction, and synchrotron radiation diffraction. It is shown that the iron nanoparticles in pores are mainly in the γ phase of Fe{sub 2}O{sub 3} with a small addition of the α phase and atomic iron clusters. The effective magnetic field acting on a nanofilament from other nanofilaments is 11 mT and has a dipole nature, the ferromagnetic–paramagnetic transition temperature is in the range 76–94 K depending on the annealing temperature of the samples, and the temperature that corresponds to the change in the magnetic state of the iron oxide nanofilaments is T ≈ 50–60 K at H = 0 and T ≈ 80 K at H = 300 mT. It is also shown that the magnetization reversal of an array of nanofilaments is caused by the magnetostatic interaction between nanofilaments at the fields that are lower than the saturation field.

  2. Categorization of nano-structured titanium dioxide according to physicochemical characteristics and pulmonary toxicity

    Directory of Open Access Journals (Sweden)

    Naoki Hashizume

    Full Text Available A potentially useful means of predicting the pulmonary risk posed by new forms of nano-structured titanium dioxide (nano-TiO2 is to use the associations between the physicochemical properties and pulmonary toxicity of characterized forms of TiO2. In the present study, we conducted intratracheal administration studies in rats to clarify the associations between the physicochemical characteristics of seven characterized forms of TiO2 and their acute or subacute pulmonary inflammatory toxicity. Examination of the associations between the physicochemical characteristics of the TiO2 and the pulmonary inflammatory responses they induced revealed (1 that differences in the crystallinity or shape of the TiO2 particles were not associated with the acute pulmonary inflammatory response; (2 that particle size was associated with the acute pulmonary inflammatory response; and (3 that TiO2 particles coated with Al(OH3 induced a greater pulmonary inflammatory response than did non-coated particles. We separated the seven TiO2 into two groups: a group containing the six TiO2 with no surface coating and a group containing the one TiO2 with a surface coating. Intratracheal administration to rats of TiO2 from the first group (i.e., non-coated TiO2 induced only acute pulmonary inflammatory responses, and within this group, the acute pulmonary inflammatory response was equivalent when the particle size was the same, regardless of crystallinity or shape. In contrast, intratracheal administration to rats of the TiO2 from the second group (i.e., the coated TiO2 induced a more severe, subacute pulmonary inflammatory response compared with that produced by the non-coated TiO2. Since alteration of the pulmonary inflammatory response by surface treatment may depend on the coating material used, the pulmonary toxicities of coated TiO2 need to be further evaluated. Overall, the present results demonstrate that physicochemical properties may be useful for predicting the

  3. Synthesis and structural property of Si nanosheets connected to Si nanowires using MnCl{sub 2}/Si powder source

    Energy Technology Data Exchange (ETDEWEB)

    Meng, Erchao [Graduate School of Science and Technology, Shizuoka University, 3-5-1 Johuku, Naka-ku, Hamamatsu, Shizuoka 432-8561 (Japan); Ueki, Akiko [Toyota Central R& D Labs., Inc., 41-1 Yokomichi, Nagakute, Aichi 480-1192 (Japan); Meng, Xiang [Graduate School of Science and Technology, Shizuoka University, 3-5-1 Johuku, Naka-ku, Hamamatsu, Shizuoka 432-8561 (Japan); Suzuki, Hiroaki [Graduate School of Engineering, Shizuoka University, 3-5-1 Johuku, Naka-ku, Hamamatsu, Shizuoka 432-8561 (Japan); Itahara, Hiroshi [Toyota Central R& D Labs., Inc., 41-1 Yokomichi, Nagakute, Aichi 480-1192 (Japan); Tatsuoka, Hirokazu, E-mail: tatsuoka.hirokazu@shizuoka.ac.jp [Graduate School of Integrated Science and Technology, Shizuoka University, 3-5-1 Johuku, Naka-ku, Hamamatsu, Shizuoka 432-8561 (Japan)

    2016-08-15

    Graphical abstract: Si nanosheets connected to Si nanowires synthesized using a MnCl{sub 2}/Si powder source with an Au catalyst avoid the use of air-sensitive SiH{sub 4} or SiCl{sub 4}. It was evident from these structural features of the nanosheets (leaf blade) with nanowires (petiole) that the nanosheets were formed by the twin-plane reentrant-edge mechanism. The feature of the observed lattice fringes of the Si(111) nanosheets was clearly explained by the interference with the extra diffraction spots that arose due to the reciprocal lattice streaking effect. - Highlights: • New Si nanosheets connected to Si nanowires were synthesized using MnCl{sub 2}/Si powders. • The synthesis method has benefits in terms of avoiding air sensitive SiH{sub 4} or SiCl{sub 4}. • Structural property and electron diffraction of the Si nanosheets were clarified. • Odd lattice fringes of the Si nanosheets observed by HRTEM were clearly explained. - Abstract: Si nanosheets connected to Si nanowires were synthesized using a MnCl{sub 2}/Si powder source with an Au catalyst. The synthesis method has benefits in terms of avoiding conventionally used air-sensitive SiH{sub 4} or SiCl{sub 4}. The existence of the Si nanosheets connected to the Si<111> nanowires, like sprouts or leaves with petioles, was observed, and the surface of the nanosheets was Si{111}. The nanosheets were grown in the growth direction of <211> perpendicular to that of the Si nanowires. It was evident from these structural features of the nanosheets that the nanosheets were formed by the twin-plane reentrant-edge mechanism. The feature of the observed lattice fringes, which do not appear for Si bulk crystals, of the Si(111) nanosheets obtained by high resolution transmission electron microscopy was clearly explained due to the extra diffraction spots that arose by the reciprocal lattice streaking effect.

  4. Crystal structure and tautomerism of Pigment Yellow 138 determined by X-ray powder diffraction and solid-state NMR

    DEFF Research Database (Denmark)

    Gumbert, Silke D.; Körbitzer, Meike; Alig, Edith

    2016-01-01

    The crystal structure of C.I. Pigment Yellow 138 was determined from X-ray powder diffraction data using real-space methods with subsequent Rietveld refinements. The tautomeric state was investigated by solid-state 1D and 2D multinuclear NMR experiments. In the crystals, the compound exhibits...... the NH-tautomer with a hydrogen atom situated at the nitrogen of the quinoline moiety. Direct evidence of the presence of the NH-tautomer is provided by 1H–14N HMQC solid-state NMR at very fast MAS. Solid-state dispersion-corrected density functional theory calculations with BLYP-D3 confirm...

  5. Spiral chain structure of high pressure selenium-II' and sulfur-II from powder x-ray diffraction

    International Nuclear Information System (INIS)

    Fujihisa, Hiroshi; Yamawaki, Hiroshi; Sakashita, Mami; Yamada, Takahiro; Honda, Kazumasa; Akahama, Yuichi; Kawamura, Haruki; Le Bihan, Tristan

    2004-01-01

    The structure of high pressure phases, selenium-II ' (Se-II ' ) and sulfur-II (S-II), for α-Se 8 (monoclinic Se-I) and α-S 8 (orthorhombic S-I) was studied by powder x-ray diffraction experiments. Se-II ' and S-II were found to be isostructural and to belong to the tetragonal space group I4 1 /acd, which is made up of 16 atoms in the unit cell. The structure consisted of unique spiral chains with both 4 1 and 4 3 screws. The results confirmed that the structure sequence of the pressure-induced phase transitions for the group VIb elements depended on the initial molecular form. The chemical bonds of the phases are also discussed from the interatomic distances that were obtained

  6. Structures of Bi14WO24 and Bi14MoO24 from neutron powder diffraction data

    International Nuclear Information System (INIS)

    Ling, C.D.; Withers, R.L.; Thompson, J.G.; Schmid, S.

    1999-01-01

    The (isomorphous) structures of Bi 14 WO 24 , tetradecabismuth tungsten tetracosaoxide, and Bi 14 MoO 24 , tetradecabismuth molybdenum tetracosaoxide, have been solved and refined using neutron powder diffraction data in the space group I4/m. The metal-atom array is fully ordered in terms of composition, and in terms of atomic positions deviates only slightly from a fluorite-type δ-Bi 2 O 3 -related parent structure. Three independent O-atom sites (accounting for 70 out of 78 O atoms in the unit cell) are also very close to fluorite-type parent positions. The remaining two O-atom sites, which coordinate W, exhibit partial occupancies and displacive disorder, neither of which could be better modelled by lowering of symmetry. The W site is coordinated by four O atoms in highly distorted tetrahedral coordination, the tetrahedron necessarily being orientationally disordered on that site. Nonetheless, the structure appears to be chemically reasonable. (orig.)

  7. Determination of the structure factors of a LiF powder sample by the energy dispersive x-ray diffraction

    International Nuclear Information System (INIS)

    Uno, R.; Ahtee, A.; Paakkari, T.

    1977-01-01

    The structure factors of a LiF powder sample were determined by energy dispersive x-ray diffraction in the range 9 to 25 keV, with the use of a Si(Li) solid state detector, following the method applied on GaP. Since the absorption coefficient of LiF is small at high energy, a fraction of the incident x-rays penetrates through the sample and does not contribute to the diffraction. This effect was taken into account in the determination of the structure factors. Then the structure factors generally agree, within the limit of 5 % error, with those obtained by the usual angle dispersive method, if the penetrated part of the incident beam is less than 40 %. (author)

  8. Shock-induced modification of the structure of yttria stabilised zirconia powder

    International Nuclear Information System (INIS)

    Frazer, B.G.; Killen, P.D.; Page, N.W.; Charleson, S.W.

    1999-01-01

    Full text: Powder samples of 3 mol% yttria stabilised zirconia were shock compacted in Russia using the explosive flyer plate compaction technique in which a flyer plate is driven by an explosive charge to impact on the surface of a target fixture containing the powder. In these experiments the impact velocity of the flyer plate was approximately 2130 m.s -1 . Initial precompaction densities of 30% and 60% of solid phase densities were used in the shock compaction process. The precompaction densities were responsible for the different values of the shock strength transmitted to the sample. These pressures were 5 GPa and 16 GPa (for the 30% and 60% dense samples respectively). Fragments of all shock compacted samples were obtained for analysis with the only exception being one of the 5 GPa samples which remained intact and was encased in a resin. X-Ray diffraction scans of the recovered samples were analysed using the Rietveld refinement program GSAS. Results show significant changes in crystallite size and strain and an alteration to the shape of the monoclinic lattice as well as the pressure induced phase change from cubic to tetragonal described in another paper. Copyright (1999) Australian X-ray Analytical Association Inc

  9. Solid-state structural properties of 2,4,6-trimethoxybenzene derivatives, determined directly from powder X-ray diffraction data in conjunction with other techniques

    International Nuclear Information System (INIS)

    Pan Zhigang; Xu Mingcan; Cheung, Eugene Y.; Platts, James A.; Harris, Kenneth D.M.; Constable, Edwin C.; Housecroft, Catherine E.

    2006-01-01

    Structural properties of 2,4,6-trimethoxybenzaldehyde, 2,4,6-trimethoxybenzyl alcohol and 2,4,6-trimethoxyacetophenone have been determined directly from powder X-ray diffraction data, using the direct-space Genetic Algorithm (GA) technique for structure solution followed by Rietveld refinement. Structural similarities and contrasts within this family of materials are elucidated. The work illustrates the value of utilizing information from other sources, including spectroscopic data and computational techniques, as a means of augmenting the structural knowledge established from the powder X-ray diffraction data

  10. Pressure/temperature fluid cell apparatus for the neutron powder diffractometer instrument: Probing atomic structure in situ

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Hsiu-Wen; Fanelli, Victor R.; Reiche, Helmut M.; Larson, Eric; Taylor, Mark A.; Siewenie, Joan [Lujan Neutron Scattering Center, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Xu, Hongwu [Earth and Environmental Sciences Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Zhu, Jinlong [High Pressure Science and Engineering Center, Department of Physics and Astronomy, The University of Nevada, Las Vegas, Nevada 89154, USA and National Lab for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China); Page, Katharine, E-mail: pagekl@ornl.gov [Spallation Neutron Source, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States)

    2014-12-15

    This contribution describes a new local structure compatible gas/liquid cell apparatus for probing disordered materials at high pressures and variable temperatures in the Neutron Powder Diffraction instrument at the Lujan Neutron Scattering Center, Los Alamos National Laboratory. The new sample environment offers choices for sample canister thickness and canister material type. Finite element modeling is utilized to establish maximum allowable working pressures of 414 MPa at 15 K and 121 MPa at 600 K. High quality atomic pair distribution function data extraction and modeling have been demonstrated for a calibration standard (Si powder) and for supercritical and subcritical CO{sub 2} measurements. The new sample environment was designed to specifically target experimental studies of the local atomic structures involved in geologic CO{sub 2} sequestration, but will be equally applicable to a wide variety of energy applications, including sorption of fluids on nano/meso-porous solids, clathrate hydrate formation, catalysis, carbon capture, and H{sub 2} and natural gas uptake/storage.

  11. Preparation and Crystal Structures of Some AIVB2IIO4 Compounds: Powder X-Ray Diffraction and Rietveld Analysis

    Directory of Open Access Journals (Sweden)

    K. Jeyadheepan

    2014-01-01

    Full Text Available The AIVB2IIO4 compounds such as cadmium tin oxide (Cd2SnO4 or CTO and zinc tin oxide (Zn2SnO4 or ZTO are synthesized by solid state reaction of the subsequent binary oxides. The synthesized powders were analyzed through the powder X-ray diffraction (PXRD. Cell search done on the PXRD patterns shows that the Cd2SnO4 crystallizes in orthorhombic structure with space group Pbam and the cell parameters as a=5.568(2 Å, b=9.894(3 Å, and c=3.193(1 Å and the Zn2SnO4 crystallizes as cubic with the space group Fd3 -m and with the cell parameter a=8.660(2 Å. Rietveld refinement was done on the PXRD patterns to get the crystal structure of the Cd2SnO4 and Zn2SnO4 and to define the site deficiency of atoms which causes the electrical properties of the materials.

  12. Production of a Powder Metallurgical Hot Work Tool Steel with Harmonic Structure by Mechanical Milling and Spark Plasma Sintering

    Science.gov (United States)

    Deirmina, Faraz; Pellizzari, Massimo; Federici, Matteo

    2017-04-01

    Commercial AISI-H13 gas atomized powders (AT) were mechanically milled (MM) to refine both the particle size and the microstructure. Different volume fractions of coarser grained (CG) AT powders were mixed with the ultra-fine grained (UFG) MM and consolidated by spark plasma sintering to obtain bulks showing a harmonic structure ( i.e. a 3D interconnected network of UFG areas surrounding the CG atomized particles). The low sintering temperature, 1373.15 K (1100 °C) and the short sintering time (30 minutes) made it possible to obtain near full density samples while preserving the refined microstructure induced by MM. A combination of high hardness and significantly improved fracture toughness is achieved by the samples containing 50 to 80 vol pct MM, essentially showing harmonic structure. The design allows to easily achieve specific application oriented properties by varying the MM volume fraction in the initial mixture. Hardness is governed by the fine-grained MM matrix and improved toughening is due to (1) deviatory effect of AT particles and (2) energy dissipation as a result of the decohesion in MM regions or AT and MM interface.

  13. Characterization of ceramic powder compacts

    International Nuclear Information System (INIS)

    Yanai, K.; Ishimoto, S.; Kubo, T.; Ito, K.; Ishikawa, T.; Hayashi, H.

    1995-01-01

    UO 2 and Al 2 O 3 powder packing structures in cylindrical powder compacts are observed by scanning electron microscopy using polished cross sections of compacts fixed by low viscosity epoxy resin. Hard aggregates which are not destroyed during powder compaction are observed in some of the UO 2 powder compacts. A technique to measure local density in powder compacts is developed based on counting characteristic X-ray intensity by energy dispersive X-ray analysis (EDX). The local density of the corner portion of the powder compact fabricated by double-acting dry press is higher than that of the inner portion. ((orig.))

  14. The use of gamma irradiation in preparation of polybutadiene rubber nanopowder; Its effect on particle size, morphology and crosslink structure of the powder

    Energy Technology Data Exchange (ETDEWEB)

    Rezaei Abadchi, Majid; Jalali-Arani, Azam, E-mail: ajalali@aut.ac.ir

    2014-02-01

    Highlights: • Vulcanized rubber powders were prepared by spray drying of irradiated rubber latexes. • Influence of absorbed dose on powder structure and characteristics was investigated. • The size of rubber latex particles did not changed by irradiation. • Crosslink density increased by increasing dose and 98% gel was obtained at 150 kGy. • T{sub g} of rubber powder increased with increasing the irradiation dose. -- Abstract: The aim of this work was the preparation and characterization of polybutadiene rubber (BR) powder by irradiating of rubber lattices using {sup 60}Co radiation and spray-drying of them at the appropriate condition. The influences of absorbed dose on the volume swelling ratio, molecular weight between crosslinks, gel fraction, and glass transition temperature of obtained powder were studied. Morphology, size and size distribution of rubber particles were examined by using scanning electron microscopy (SEM) and laser particle size analyzer (LPSA) technique, respectively. Results obtained by LPSA revealed that radiation has no effect on particle size of rubber latex but after drying, adherence properties of rubber particle causes increase in particle size of rubber powder, as shown in SEM photograph. Fourier transform infrared spectroscopy of rubber powders confirmed that with increasing the irradiation dose, characteristic peak corresponds to the >C=C< double bands decreased. Also Charlesby–Pinner equation was used to evaluate radiation yield.

  15. The use of gamma irradiation in preparation of polybutadiene rubber nanopowder; Its effect on particle size, morphology and crosslink structure of the powder

    International Nuclear Information System (INIS)

    Rezaei Abadchi, Majid; Jalali-Arani, Azam

    2014-01-01

    Highlights: • Vulcanized rubber powders were prepared by spray drying of irradiated rubber latexes. • Influence of absorbed dose on powder structure and characteristics was investigated. • The size of rubber latex particles did not changed by irradiation. • Crosslink density increased by increasing dose and 98% gel was obtained at 150 kGy. • T g of rubber powder increased with increasing the irradiation dose. -- Abstract: The aim of this work was the preparation and characterization of polybutadiene rubber (BR) powder by irradiating of rubber lattices using 60 Co radiation and spray-drying of them at the appropriate condition. The influences of absorbed dose on the volume swelling ratio, molecular weight between crosslinks, gel fraction, and glass transition temperature of obtained powder were studied. Morphology, size and size distribution of rubber particles were examined by using scanning electron microscopy (SEM) and laser particle size analyzer (LPSA) technique, respectively. Results obtained by LPSA revealed that radiation has no effect on particle size of rubber latex but after drying, adherence properties of rubber particle causes increase in particle size of rubber powder, as shown in SEM photograph. Fourier transform infrared spectroscopy of rubber powders confirmed that with increasing the irradiation dose, characteristic peak corresponds to the >C=C< double bands decreased. Also Charlesby–Pinner equation was used to evaluate radiation yield

  16. Effects of Temperature and Pressure of Hot Isostatic Pressing on the Grain Structure of Powder Metallurgy Superalloy.

    Science.gov (United States)

    Tan, Liming; He, Guoai; Liu, Feng; Li, Yunping; Jiang, Liang

    2018-02-24

    The microstructure with homogeneously distributed grains and less prior particle boundary (PPB) precipitates is always desired for powder metallurgy superalloys after hot isostatic pressing (HIPping). In this work, we studied the effects of HIPping parameters, temperature and pressure on the grain structure in PM superalloy FGH96, by means of scanning electron microscope (SEM), electron backscatter diffraction (EBSD), transmission electron microscope (TEM) and Time-of-flight secondary ion spectrometry (ToF-SIMS). It was found that temperature and pressure played different roles in controlling PPB precipitation and grain structure during HIPping, the tendency of grain coarsening under high temperature could be inhibited by increasing HIPping pressure which facilitates the recrystallization. In general, relatively high temperature and pressure of HIPping were preferred to obtain an as-HIPped superalloy FGH96 with diminished PPB precipitation and homogeneously refined grains.

  17. Effects of thickness on the nanocrystalline structure and semiconductor-metal transition characteristics of vanadium dioxide thin films

    Energy Technology Data Exchange (ETDEWEB)

    Luo, Zhenfei, E-mail: zhfluo8@yahoo.com [Terahertz Research Center, China Academy of Engineering Physics, Mianyang Sichuan 621900 (China); Research Center of Laser Fusion, China Academy of Engineering Physics, Mianyang Sichuan 621900 (China); Zhou, Xun, E-mail: zx_zky@yahoo.com [Terahertz Research Center, China Academy of Engineering Physics, Mianyang Sichuan 621900 (China); Research Center of Laser Fusion, China Academy of Engineering Physics, Mianyang Sichuan 621900 (China); Yan, Dawei [Research Center of Laser Fusion, China Academy of Engineering Physics, Mianyang Sichuan 621900 (China); Wang, Du; Li, Zeyu [Terahertz Research Center, China Academy of Engineering Physics, Mianyang Sichuan 621900 (China); Research Center of Laser Fusion, China Academy of Engineering Physics, Mianyang Sichuan 621900 (China); Yang, Cunbang [Research Center of Laser Fusion, China Academy of Engineering Physics, Mianyang Sichuan 621900 (China); Jiang, Yadong [State Key Laboratory of Electronic Thin Films and Integrated Devices, School of Optoelectronic Information, University of Electronic Science and Technology of China (UESTC), Chengdu 610054 (China)

    2014-01-01

    Nanocrystalline vanadium dioxide (VO{sub 2}) thin films were grown on glass substrates by using reactive direct current magnetron sputtering and in situ thermal treatments at low preparation temperatures (≤ 350 °C). The VO{sub 2} thin films were characterized by grazing-incidence X-ray diffraction, field emission scanning electron microscope, transmission electron microscopy and spectroscopic ellipsometry (SE). The semiconductor-metal transition (SMT) characteristics of the films were investigated by four-point probe resistivity measurements and infrared spectrometer equipped with heating pads. The testing results showed that the crystal structure, morphology, grain size and semiconductor-metal transition temperature (T{sub SMT}) significantly changed as the film thickness decreased. Multilayer structures were observed in the particles of thinner films whose average particle size is much larger than the film thickness and average VO{sub 2} grain size. A competition mechanism between the suppression effect of decreased thickness and coalescence of nanograins was proposed to understand the film growth and the formation of multilayer structure. The value of T{sub SMT} was found to decrease as average VO{sub 2} grain size became smaller, and SE results showed that small nanograin size significantly affected the electronic structure of VO{sub 2} film. - Highlights: • Nanocrystalline vanadium dioxide thin films were prepared. • Multilayer structures were observed in the films with large particles. • The transition temperature of the film is correlated with its electronic structure.

  18. Effects of thickness on the nanocrystalline structure and semiconductor-metal transition characteristics of vanadium dioxide thin films

    International Nuclear Information System (INIS)

    Luo, Zhenfei; Zhou, Xun; Yan, Dawei; Wang, Du; Li, Zeyu; Yang, Cunbang; Jiang, Yadong

    2014-01-01

    Nanocrystalline vanadium dioxide (VO 2 ) thin films were grown on glass substrates by using reactive direct current magnetron sputtering and in situ thermal treatments at low preparation temperatures (≤ 350 °C). The VO 2 thin films were characterized by grazing-incidence X-ray diffraction, field emission scanning electron microscope, transmission electron microscopy and spectroscopic ellipsometry (SE). The semiconductor-metal transition (SMT) characteristics of the films were investigated by four-point probe resistivity measurements and infrared spectrometer equipped with heating pads. The testing results showed that the crystal structure, morphology, grain size and semiconductor-metal transition temperature (T SMT ) significantly changed as the film thickness decreased. Multilayer structures were observed in the particles of thinner films whose average particle size is much larger than the film thickness and average VO 2 grain size. A competition mechanism between the suppression effect of decreased thickness and coalescence of nanograins was proposed to understand the film growth and the formation of multilayer structure. The value of T SMT was found to decrease as average VO 2 grain size became smaller, and SE results showed that small nanograin size significantly affected the electronic structure of VO 2 film. - Highlights: • Nanocrystalline vanadium dioxide thin films were prepared. • Multilayer structures were observed in the films with large particles. • The transition temperature of the film is correlated with its electronic structure

  19. Structural and Optical Properties of ZnO Thin Film Prepared by Oxidation of Zn Metal Powders

    International Nuclear Information System (INIS)

    Hassan, N.K.; Hashim, M.R.

    2013-01-01

    High quality ZnO nano structures have been fabricated at room temperature by a simple vacuum thermal evaporator from metallic Zn powders (99.999 % purity) on a silicon (100) substrate. The Zn thin films were then transferred into a thermal tube furnace for oxidation at 700 degree Celsius for different time durations. Time was found to be a critical factor in the synthesis. This was followed by characterization of their morphological, structural and optical properties. The morphology of the grown ZnO nano structures exhibited several large grains, which increased gradually with increasing oxidation time. The crystallinity of the grown nano structures was investigated using X-ray diffraction, revealing that the synthesized ZnO was in hexagonal wurtzite phase. The photoluminescence (PL) spectra of the fabricated ZnO nano structures showed high intensity peak in the UV region due to near-band-edge (NBE) emission in which the structures oxidized for 30 min showing highest intensity. (author)

  20. Profile fitting and the two-stage method in neutron powder diffractometry for structure and texture analysis

    International Nuclear Information System (INIS)

    Jansen, E.; Schaefer, W.; Will, G.; Kernforschungsanlage Juelich G.m.b.H.

    1988-01-01

    An outline and an application of the two-stage method in neutron powder diffractometry are presented. Stage (1): Individual reflection data like position, half-width and integrated intensity are analysed by profile fitting. The profile analysis is based on an experimentally determined instrument function and can be applied without prior knowledge of a structural model. A mathematical procedure is described which results in a variance-covariance matrix containing standard deviations and correlations of the refined reflection parameters. Stage (2): The individual reflection data derived from the profile fitting procedure can be used for appropriate purposes either in structure determination or in texture and strain or stress analysis. The integrated intensities are used in the non-diagonal weighted least-squares routine POWLS for structure refinement. The weight matrix is given by the inverted variance-covariance matrix of stage (1). This procedure is the basis for reliable and real Bragg R values and for a realistic estimation of standard deviations of structural parameters. In the case of texture analysis the integrated intensities are compiled into pole figures representing the intensity distribution for all sample orientations of individual hkl. Various examples for the wide application of the two-stage method in structure and texture analysis are given: Structure refinement of a standard quartz specimen, magnetic ordering in the system Tb x Y 1-x Ag, preferred orientation effects in deformed marble and texture investigations of a triclinic plagioclase. (orig.)

  1. Crystal structures of new cuprates containing CO3 analyzed by the Rietveld method of neutron powder diffraction

    International Nuclear Information System (INIS)

    Miyazaki, Y.; Yamane, H.; Kajitani, T.; Hiraga, K.; Hirai, T.; Morii, Y.; Funahashi, S.

    1993-01-01

    New compounds containing CO 3 groups, Sr 2 CuO 2 (CO 3 ), (C 0.4 Cu 0.6 )Sr 2 (Y 0.86 Sr 0.14 )Cu 2 O 7 and (C 0.35 Cu 0.65 )Sr 2 (Y 0.73 Ce 0.27 ) 2 Cu 2 O 9 , were prepared as stable phases at 1273-1303 K in a flowing gas of O 2 -CO 2 . The crystal structures of these compounds were refined by means of the Rietveld analysis for neutron powder diffraction data collected using a high resolution powder diffractometer (HRPD) in the JRR-3M reactor hall of the Japan Atomic Energy Research Institute (JAERI). Positions of CO 3 groups were satisfactorily determined. The distances of C-O bonds in the CO 3 groups were around 1.3A and the O-C-O angles were almost equal to the ideal bond angle of 120deg. (author)

  2. Structural, microstructural and Mössbauer studies of nanocrystalline Fe100-x Alx powders elaborated by mechanical alloying

    Directory of Open Access Journals (Sweden)

    Akkouche K.

    2012-06-01

    Full Text Available Nanocrystalline Fe100-xAlx powders (x= 25, 30, 34 and 40 at % were prepared by the mechanical alloying process using a vario-planetary high-energy ball mill for a milling time of 35 h. The formation and physical properties of the alloys were investigated as a function of Al content by means of X-ray diffraction, scanning electron microscopy (SEM, energy dispersive X-ray and Mössbauer spectroscopy. For all Fe100-xAlx samples, the complete formation of bcc phase was observed after 35 h of milling. As Al content increases, the lattice parameter increases, whereas the grain size decreases from 106 to 12 nm. The powder particle morphology for different compositions was observed by SEM. The Mössbauer spectra were adjusted with a singlet line and a sextet containing two components. The singlet was attributed to the formation of paramagnetic A2 disordered structure rich with Al. About the sextet, the first component indicated the formation of Fe clusters/ Fe-rich phases; however, the second component is characteristic of disordered ferromagnetic phase.

  3. Crystal structure of di-μ-aqua-μ-(pyrazine N,N′-dioxide-κ2O:O-bis(diaquasodium tetraphenylborate dihydrate pyrazine N,N′-dioxide monosolvate

    Directory of Open Access Journals (Sweden)

    Elaine P. Boron

    2015-12-01

    Full Text Available The search for novel lanthanide coordination networks using pyrazine N,N′-dioxide (pzdo, C4H4N2O2 as a structure-directing unit, led to the synthesis and the structure determination of the title compound, [Na2(C4H4N2O2(H2O6][B(C6H54]2·C4H4N2O2·2H2O. The crystal structure is comprised of discrete [{Na(H2O2}2(μ-H2O2(μ-pzdo]2+ cations and tetraphenylborate anions, as well as pzdo and H2O solvent molecules. The dinuclear cation is located about a twofold rotation axis, and the symmetry-related NaI atoms display a distorted square-pyramidal coordination sphere defined by two O atoms of terminal water ligands, two O atoms of bridging water ligands and one O atom of a bridging pzdo ligand. In the crystal, O—H...O hydrogen bonds link the dinuclear cation and solvent pzdo molecules (point-group symmetry -1 into rectangular grid-like layers parallel to the bc plane. Additional C—H...O, O—H...O, C—H...π and O—H...π interactions link the anion and solvent water molecules to the layers. The layers are further linked into a three-dimensional network through a combination of C—H...π and O—H...π hydrogen bonds involving the tetraphenylborate anion.

  4. Conformational analysis of an acyclic tetrapeptide: ab-initio structure determination from X-ray powder diffraction, Hirshfeld surface analysis and electronic structure.

    Science.gov (United States)

    Das, Uday; Naskar, Jishu; Mukherjee, Alok Kumar

    2015-12-01

    A terminally protected acyclic tetrapeptide has been synthesized, and the crystal structure of its hydrated form, Boc-Tyr-Aib-Tyr-Ile-OMe·2H2O (1), has been determined directly from powder X-ray diffraction data. The backbone conformation of tetrapeptide (1) exhibiting two consecutive β-turns is stabilized by two 4 → 1 intramolecular N-H · · · O hydrogen bonds. In the crystalline state, the tetrapeptide molecules are assembled through water-mediated O-H · · · O hydrogen bonds to form two-dimensional molecular sheets, which are further linked by intermolecular C-H · · · O hydrogen bonds into a three-dimensional supramolecular framework. The molecular electrostatic potential (MEP) surface of (1) has been used to supplement the crystallographic observations. The nature of intermolecular interactions in (1) has been analyzed quantitatively through the Hirshfeld surface and two-dimensional fingerprint plot. The DFT optimized molecular geometry of (1) agrees closely with that obtained from the X-ray structure analysis. The present structure analysis of Boc-Tyr-Aib-Tyr-Ile-OMe·2H2 O (1) represents a case where ab-initio crystal structure of an acyclic tetrapeptide with considerable molecular flexibility has been accomplished from laboratory X-ray powder diffraction data. Copyright © 2015 European Peptide Society and John Wiley & Sons, Ltd.

  5. The thermal behaviour and structural stability of nesquehonite, MgCO3.3H2O, evaluated by in situ laboratory parallel-beam X-ray powder diffraction: New constraints on CO2 sequestration within minerals.

    Science.gov (United States)

    Ballirano, Paolo; De Vito, Caterina; Ferrini, Vincenzo; Mignardi, Silvano

    2010-06-15

    In order to gauge the appropriateness of CO(2) reaction with Mg chloride solutions as a process for storing carbon dioxide, the thermal behaviour and structural stability of its solid product, nesquehonite (MgCO(3).3H(2)O), were investigated in situ using real-time laboratory parallel-beam X-ray powder diffraction. The results suggest that the nesquehonite structure remains substantially unaffected up to 373 K, with the exception of a markedly anisotropic thermal expansion acting mainly along the c axis. In the 371-390 K range, the loss of one water molecule results in the nucleation of a phase of probable composition MgCO(3).2H(2)O, which is characterized by significant structural disorder. At higher temperatures (423-483 K), both magnesite and MgO.2MgCO(3) coexist. Finally, at 603 K, periclase nucleation starts and the disappearance of carbonate phases is completed at 683 K. Consequently, the structural stability of nesquehonite at high temperatures suggests that it will remain stable under the temperature conditions that prevail at the Earth's surface. These results will help (a) to set constraints on the temperature conditions under which nesquehonite may be safely stored and (b) to develop CO(2) sequestration via the synthesis of nesquehonite for industrial application. Copyright 2010 Elsevier B.V. All rights reserved.

  6. Structure of La2Cu2O5 by high-resolution synchrotron X-ray powder diffraction

    International Nuclear Information System (INIS)

    La Placa, S.J.; Bringley, J.F.; Scott, B.A.; Cox, D.E.

    1993-01-01

    Dicopper(II) dilanthanum pentaoxide, La 2 Cu 2 O 5 , M r =484.90, orthorhombic, Pbam. At T=300 K: a=5.5490(1), b=10.4774(2), c=3.8796(1) A, V=225.557(8) A 3 , Z=2, D x =7.139 g cm -3 , λ=1.2000 A. Final R I =6.20, R p =14.6 and R wp =20.61%, 124 independent reflections observed. The structure has been refined from high-resolution synchrotron X-ray powder diffraction data using the Rietveld method. It is of the oxygen-defect perovskite type and is composed entirely of corner-shared CuO 5 square pyramids, which share oxygen vacancies forming vacancy tunnels along the c axis. The La atoms reside at a perovskite-like A-site and are tenfold coordinated by oxygen. (orig.)

  7. Effect of annealing on the composition and structure of TiC and TaC powders

    International Nuclear Information System (INIS)

    Vavrda, J.; Blazhikova, J.

    1979-01-01

    Effect of annealing (1300-2000 deg C) upon lattice parameters and composition of TiC and TaC powders has been investigated. It is established that the lowest deviation from stoichiometric composition of TiC and TaC is the result of annealing the samples, placed in graphite crucibles, in the medium of pure argon. It is shown, that the processes of decarbonizing and crystal defect formation produce decisive effect upon recrystallization of titanium and tantalum carbides. Using the methods of X-ray diffraction and scanning electron microscopy significant difference is detected in structural changes in TiC at high temperature heat treatment compared to recrystallization processes in metals. Singled out are the following stages of the process: carbide decarbonizing and arizing of lattice distortions connected with it; progressing disorientation of mosaic blocks, connected with the increase in stresses of the second kind and subsequent gragmentation of big crystals; relief in fragmentated crystals

  8. Surface Properties of Titanium dioxide and its Structural Modifications by Reactions with Transition Metals

    Science.gov (United States)

    Halpegamage, Sandamali

    Surfaces of metal oxides play a vital role in many technologically important applications. The surfaces of titanium dioxide, in particular, show quite promising properties that can be utilized in solid-state gas sensing and photocatalysis applications. In the first part of this dissertation we investigate these properties of TiO2 surfaces through a vigorous surface scientific approach. In the second part, we investigate the possibilities of modifying the TiO2 surfaces by depositing multi-component transition metal oxide monolayers so that the properties of bare TiO2 surface can be influenced in a beneficial way. For instance, via formation of new surface sites or cations that have different valance states, the chemisorption and catalytic properties can be modified. We use sophisticated experimental surface science techniques that are compatible with ultra-high vacuum technology for surface characterization. All the experimental results, except for the photocatalysis experiments, were compared to and verified by supporting DFT-based theoretical results produced by our theory collaborators. TiO2 based solid-state gas sensors have been used before for detecting trace amounts of explosives such as 2,4-dinitrololuene (DNT), a toxic decomposition product of the explosive 2,4,6-trinitrotoluene (TNT) that have very low vapor pressure. However, the adsorption, desorption and reaction mechanism were not well- understood. Here, we investigate 2,4-DNT adsorption on rutile-TiO2(110) surface in order to gain insight about these mechanisms in an atomistic level and we propose an efficient way of desorbing DNT from the surface through UV-light induced photoreactions. TiO2 exists in different polymorphs and the photocatalytic activity differs from one polymorph to another. Rutile and anatase are the most famous forms of TiO2 in photocatalysis and anatase is known to show higher activity than rutile. The photoactivity also varies depending on the surface orientation for the same

  9. Solid state characterization and crystal structure from X-ray powder diffraction of two polymorphic forms of ranitidine base.

    Science.gov (United States)

    de Armas, Héctor Novoa; Peeters, Oswald M; Blaton, Norbert; Van Gyseghem, Elke; Martens, Johan; Van Haele, Gerrit; Van Den Mooter, Guy

    2009-01-01

    Ranitidine hydrochloride (RAN-HCl), a known anti-ulcer drug, is the product of reaction between HCl and ranitidine base (RAN-B). RAN-HCl has been extensively studied; however this is not the case of the RAN-B. The solid state characterization of RAN-B polymorphs has been carried out using different analytical techniques (microscopy, thermal analysis, Fourier transform infrared spectrometry in the attenuated total reflection mode, (13)C-CPMAS-NMR spectroscopy and X-ray powder diffraction). The crystal structures of RAN-B form I and form II have been determined using conventional X-ray powder diffraction in combination with simulated annealing and whole profile pattern matching, and refined using rigid-body Rietveld refinement. RAN-B form I is a monoclinic polymorph with cell parameters: a = 7.317(2), b = 9.021(2), c = 25.098(6) A, beta = 95.690(1) degrees and space group P2(1)/c. The form II is orthorhombic: a = 31.252(4), b = 13.052(2), c = 8.0892(11) A with space group Pbca. In RAN-B polymorphs, the nitro group is involved in a strong intramolecular hydrogen bond responsible for the existence of a Z configuration in the enamine portion of the molecules. A tail to tail packing motif can be denoted via intermolecular hydrogen bonds. The crystal structures of RAN-B forms are compared to those of RAN-HCl polymorphs. RAN-B polymorphs are monotropic polymorphic pairs. (c) 2008 Wiley-Liss, Inc. and the American Pharmacists Association

  10. Geometrically frustrated magnetic structures of the heavy-fermion compound CePdAl studied by powder neutron diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Doenni, A.; Fischer, P.; Zolliker, M. [Laboratory for Neutron Scattering, ETH Zuerich and Paul Scherrer Institute, CH-5232 Villigen PSI (Switzerland); Ehlers, G.; Maletta, H. [Hahn Meitner Institute Berlin, Glienicker Strasse 100, D-14092 Berlin (Germany); Kitazawa, H. [National Research Institute for Metals, Tsukuba, Ibaraki 305 (Japan)

    1996-12-09

    The heavy-fermion compound CePdAl with ZrNiAl-type crystal structure (hexagonal space group P6-bar2m) was investigated by powder neutron diffraction. The triangular coordination symmetry of magnetic Ce atoms on site 3f gives rise to geometrical frustration. CePdAl orders below T{sub N} = 2.7 K with an incommensurate antiferromagnetic propagation vector k=[1/2, 0, {tau}], {tau} approx. 0.35, and a longitudinal sine-wave (LSW) modulated spin arrangement. Magnetically ordered moments at Ce(1) and Ce(3) coexist with frustrated disordered moments at Ce(2). The experimentally determined magnetic structure is in agreement with group theoretical symmetry analysis considerations, calculated by the program MODY, which confirm that for Ce(2) an ordered magnetic moment parallel to the magnetically easy c-axis is forbidden by symmetry. Further low-temperature experiments give evidence for a second magnetic phase transition in CePdAl between 0.6 and 1.3 K. Magnetic structures of CePdAl are compared with those of the isostructural compound TbNiAl, where a non-zero ordered magnetic moment for the geometrically frustrated Tb(2) atoms is allowed by symmetry. (author)

  11. A structural investigation into the compaction behavior of pharmaceutical composites using powder X-ray diffraction and total scattering analysis.

    Science.gov (United States)

    Moore, Michael D; Steinbach, Alison M; Buckner, Ira S; Wildfong, Peter L D

    2009-11-01

    To use advanced powder X-ray diffraction (PXRD) to characterize the structure of anhydrous theophylline following compaction, alone, and as part of a binary mixture with either alpha-lactose monohydrate or microcrystalline cellulose. Compacts formed from (1) pure theophylline and (2) each type of binary mixture were analyzed intact using PXRD. A novel mathematical technique was used to accurately separate multi-component diffraction patterns. The pair distribution function (PDF) of isolated theophylline diffraction data was employed to assess structural differences induced by consolidation and evaluated by principal components analysis (PCA). Changes induced in PXRD patterns by increasing compaction pressure were amplified by the PDF. Simulated data suggest PDF dampening is attributable to molecular deviations from average crystalline position. Samples compacted at different pressures were identified and differentiated using PCA. Samples compacted at common pressures exhibited similar inter-atomic correlations, where excipient concentration factored in the analyses involving lactose. Practical real-space structural analysis of PXRD data by PDF was accomplished for intact, compacted crystalline drug with and without excipient. PCA was used to compare multiple PDFs and successfully differentiated pattern changes consistent with compaction-induced disordering of theophylline as a single component and in the presence of another material.

  12. Layered surface structure of gas-atomized high Nb-containing TiAl powder and its impact on laser energy absorption for selective laser melting

    Science.gov (United States)

    Zhou, Y. H.; Lin, S. F.; Hou, Y. H.; Wang, D. W.; Zhou, P.; Han, P. L.; Li, Y. L.; Yan, M.

    2018-05-01

    Ti45Al8Nb alloy (in at.%) is designed to be an important high-temperature material. However, its fabrication through laser-based additive manufacturing is difficult to achieve. We present here that a good understanding of the surface structure of raw material (i.e. Ti45Al8Nb powder) is important for optimizing its process by selective laser melting (SLM). Detailed X-ray photoelectron spectroscopy (XPS) depth profiling and transmission electron microscopy (TEM) analyses were conducted to determine the surface structure of Ti45Al8Nb powder. An envelope structure (∼54.0 nm in thickness) was revealed for the powder, consisting of TiO2 + Nb2O5 (as the outer surface layer)/Al2O3 + Nb2O5 (as the intermediate layer)/Al2O3 (as the inner surface layer)/Ti45Al8Nb (as the matrix). During SLM, this layered surface structure interacted with the incident laser beam and improved the laser absorptivity of Ti45Al8Nb powder by ∼32.21%. SLM experiments demonstrate that the relative density of the as-printed parts can be realized to a high degree (∼98.70%), which confirms good laser energy absorption. Such layered surface structure with appropriate phase constitution is essential for promoting SLM of the Ti45Al8Nb alloy.

  13. Influence of annealing and nitrogenation on structure and magnetic properties of mechanically alloyed Sm-Fe powders

    International Nuclear Information System (INIS)

    Teresiak, A.; Kubis, M.; Mattern, N.; Wolf, M.; Mueller, K.-H.

    1998-01-01

    Sm-Fe-N compounds were prepared by mechanical alloying, subsequent annealing and nitrogenation. For crystal structure investigations of the non-equilibrium phases Sm 2 Fe 17+x and Sm 2 Fe 17+x N y , respectively, formed at the various annealing temperatures T A , XRD with following Rietveld analysis was used. For T A between 600 C and 750 C a modified hexagonal TbCu 7 structure (space group P6/mmm) was found in which the Fe(2c) site is replaced by the partially (1/3) and randomly occupied Fe(61) site. The approximated composition is SmFe 8.8-9.0 . The nitrogenated alloys crystallize in the same structure for 600 C A A ≤ 900 C a disordered modified Th 2 Zn 17 structure (space group R anti 3m) was found that is formed by introducing additional Fe (6c) and Sm(3a) positions. The degree of order of the Sm- and Fe-atoms in c-direction increases with increasing annealing temperature. The completely ordered stoichiometric Sm 2 Fe 17 structure could not be reached by annealing the ball milled elemental powders. The nitrided alloys already form this intermediate structure at T A = 750 C. The interstitial nitrogen occupies the 9e site. The estimated nitrogen content is higher in the hexagonal phases than in the rhombohedral phase. Optimum magnetic properties, in particular a coercitivity μ 01 H C = 3.7 T and a good squareness of the demagnetization curve, were obtained for T A = 750 C. Here we found a nitrogen content of y = 3 for Sm 2 Fe 17+x N y . (orig.)

  14. Combustion synthesis of AlB2-Al2O3 composite powders with AlB2 nanowire structures

    Science.gov (United States)

    Yang, Pan; Xiao, Guoqing; Ding, Donghai; Ren, Yun; Yang, Shoulei; Lv, Lihua; Hou, Xing

    2018-05-01

    Using of Al and B2O3 powders as starting materials, and Mg-Al alloy as additives, AlB2-Al2O3 composite powders with AlB2 nanowire structures were successfully fabricated via combustion synthesis method in Ar atmosphere at a pressure of 1.5 MPa. The effect of different amount of Mg-Al alloy on the phase compositions and morphology of the combustion products was investigated. The results revealed that AlB2 and Al2O3 increased, whereas Al decreased with the content of Mg-Al alloy increasing. The impurities MgAl2O4 and AlB12 would exist in the sample with adding of 18 wt% Mg-Al alloy. Interestingly, FESEM/TEM/EDS results showed that AlB2 nanowires were observed in the products when the content of Mg-Al alloy is 6 wt% and 12 wt%. The more AlB2 nanowires can be found as the content of Mg-Al alloy increased. And the yield of AlB2 nanowires with the diameter of about 200 nanometers (nm) and the length up to several tens of micrometers (μm) in the combustion product is highest when the content of Mg-Al alloy is 12 wt%. The vapor, such as Mg-Al (g), B2O2 (g), AlO (g) and Al2O (g), produced during the process of combustion synthesis, reacted with each other to yield AlB2 nanowires by vapor-solid (VS) mechanism and the corresponding model was also proposed.

  15. Corrosion of Structural Materials for Advanced Supercritical Carbon- Dioxide Brayton Cycle

    Energy Technology Data Exchange (ETDEWEB)

    Sridharan, Kumar [Univ. of Wisconsin, Madison, WI (United States)

    2017-05-13

    The supercritical carbon-dioxide (referred to as SC-CO2 hereon) Brayton cycle is being considered for power conversion systems for a number of nuclear reactor concepts, including the sodium fast reactor (SFR), fluoride saltcooled high temperature reactor (FHR), and high temperature gas reactor (HTGR), and several types of small modular reactors (SMR). The SC-CO2 direct cycle gas fast reactor has also been recently proposed. The SC-CO2 Brayton cycle (discussed in Chapter 1) provides higher efficiencies compared to the Rankine steam cycle due to less compression work stemming from higher SC-CO2 densities, and allows for smaller components size, fewer components, and simpler cycle layout. For example, in the case of a SFR using a SC-CO2 Brayton cycle instead of a steam cycle would also eliminate the possibility of sodium-water interactions. The SC-CO2 cycle has a higher efficiency than the helium Brayton cycle, with the additional advantage of being able to operate at lower temperatures and higher pressures. In general, the SC-CO2 Brayton cycle is well-suited for any type of nuclear reactor (including SMR) with core outlet temperature above ~ 500°C in either direct or indirect versions. In all the above applications, materials corrosion in high temperature SC-CO2 is an important consideration, given their expected lifetimes of 20 years or longer. Our discussions with National Laboratories and private industry early on in this project indicated materials corrosion to be one of the significant gaps in the implementation of SC-CO2 Brayton cycle. Corrosion can lead to a loss of effective load-bearing wall thickness of a component and can potentially lead to the generation of oxide particulate debris which can lead to three-body wear in turbomachinery components. Another environmental degradation effect that is rather unique to CO2 environment is the possibility

  16. Crystal structure of aspartame anhydrate from powder diffraction data. Structural aspects of the dehydration process of aspartame

    NARCIS (Netherlands)

    Guguta, C.; Meekes, H.L.M.; Gelder, R. de

    2006-01-01

    Aspartame has three pseudo-polymorphic forms, two hydrates and a hemi-hydrate, for which crystal structures were determined from single-crystal diffraction data. This paper presents the crystal structure of the anhydrate, which was obtained by dehydrating the hemi-hydrate. The crystal structure of

  17. Crystal structure determination of CoGeTe from powder diffraction data

    Czech Academy of Sciences Publication Activity Database

    Laufek, F.; Navrátil, Jiří; Plášil, J.; Plecháček, T.

    2008-01-01

    Roč. 460, č. 1-2 (2008), s. 155-159 ISSN 0925-8388 R&D Projects: GA ČR GA203/07/0267 Institutional research plan: CEZ:AV0Z40500505 Keywords : crystal structure Subject RIV: CA - Inorganic Chemistry Impact factor: 1.510, year: 2008

  18. The magnetic structure of GdNi2B2C investigated by neutron powder diffraction

    International Nuclear Information System (INIS)

    Barcza, A.; Rotter, M.; Doerr, M.; Beuneu, B.

    2005-01-01

    Full text: The group of ReT 2 B 2 C (Re=rare earth, T=transition metal) shows a very interesting interplay between magnetism and superconductivity due to the rare earth metals. In this work the magnetism of GdNi 2 B 2 C was studied with neutron diffraction. Previous investigations with x-ray diffraction methods have determined the crystal structure as a body centered tetragonal structure (I 4/mmm). Hot neutrons were used for the diffraction experiment, because the absorption cross section of Gd is significantly smaller for short wavelengths. The investigated compound orders magnetically at TN=19.5 K, and so the experiment was carried out at two temperatures, namely 30 K and 2.2 K. The results show a incommensurate spin structure with a propagation vector of (0.55 0 0). To confirm this results additional simulations of the spin structure were done based on the Standard Model of rare earth magnetism. A neutron diffraction pattern was calculated using the McPhase program package and is compared to the experimental data. (author)

  19. The structural phase diagram and oxygen equilibrium partial pressure of YBa2CU3O6+x studied by neutron powder diffraction and gas volumetry

    DEFF Research Database (Denmark)

    Andersen, N.H.; Lebech, B.; Poulsen, H.F.

    1990-01-01

    An experimental technique based on neutron powder diffraction and gas volumetry is presented and used to study the structural phase diagram of YBa2Cu3O6+x under equilibrium conditions in an extended part of (x, T)-phase (0.15

  20. Cellular Energy Absorbing TRIP-Steel/Mg-PSZ Composite: Honeycomb Structures Fabricated by a New Extrusion Powder Technology

    Directory of Open Access Journals (Sweden)

    Ulrich Martin

    2010-01-01

    Full Text Available Lightweight linear cellular composite materials on basis of austenite stainless TRIP- (TRansformation Induced Plasticity- steel as matrix with reinforcements of MgO partially stabilized zirconia (Mg-PSZ are described. Two-dimensional cellular materials for structural applications are conventionally produced by sheet expansion or corrugation processes. The presented composites are fabricated by a modified ceramic extrusion powder technology. Characterization of the microstructure in as-received and deformed conditions was carried out by optical and scanning electron microscopy. Magnetic balance measurements and electron backscatter diffraction (EBSD were used to identify the deformation-induced martensite evolution in the cell wall material. The honeycomb composite samples exhibit an increased strain hardening up to a certain engineering compressive strain and an extraordinary high specific energy absorption per unit mass and unit volume, respectively. Based on improved property-to-weight ratio such linear cellular structures will be of interest as crash absorbers or stiffened core materials for aerospace, railway, or automotive applications.

  1. Ab initio determination of the novel perovskite-related structure of La7Mo7O30 from powder diffraction

    International Nuclear Information System (INIS)

    Goutenoire, F.; Retoux, R.; Lacorre, P.

    1999-01-01

    A new mixed valence molybdate, La 7 Mo 7 O 30 , first prepared by high energy ball milling, has been successfully synthesized by controlled hydrogen reduction of La 2 Mo 2 O 9 . Its original crystal structure was determined from X-ray and neutron powder diffraction (space group R 3 ; a = b = 17.0051(2) angstrom, c = 6.8607(1) angstrom; Z = 3; reliability factors: R p = 0.081, R wp = 0.091, χ 2 = 3.1, R Bragg = 0.049, R F = 0.033). It consists in the hexagonal stacking of individual cylinders of perovskite-type arrangement. These cylinders are built up from perovskite cages sharing corners in trans-position along their diagonal axis. Two different mixed-valence molybdenum sites coexist, with more (Mo +5.75 ) or less (Mo +4.5 ) distorted octahedral environments. Lanthanum atoms are located within the perovskite cages and around them, very close to their regular positions in the perovskite structure. Lanthanum and molybdenum atoms thus form two rows of almost perfect cubes, shifted from each other by c/2. An electron microscopy study revealed the defect-free cationic and octahedral arrangements in the (a,b) plane

  2. (YSZ) powders

    Indian Academy of Sciences (India)

    Unknown

    109–114. © Indian Academy of Sciences. 109 ... Materials Science Division, Bhabha Atomic Research Centre, Mumbai 400 085, India .... pensions of 900°C calcined YSZ powders. .... The sintered density data of the compacts (sintered at.

  3. Methane explosion suppression characteristics based on the NaHCO3/red-mud composite powders with core-shell structure.

    Science.gov (United States)

    Wang, Yan; Cheng, Yi-Shen; Yu, Ming-Gao; Li, Yao; Cao, Jian-Liang; Zheng, Li-Gang; Yi, Hong-Wei

    2017-08-05

    The NaHCO 3 /red-mud (RM) composite powders were successfully prepared by the solvent-anti-solvent method for methane explosion suppression. The RM was used as a carrier, and the NaHCO 3 was used as a loaded inhibitor. The NaHCO 3 /RM composite powders showed a special core-shell structure and excellent endothermic performance. The suppression properties of NaHCO 3 /RM composite for 9.5% CH 4 explosion were tested in a 20L spherical explosion vessel and a 5L Perspex duct. The results showed that the NaHCO 3 /RM composite powders displayed a much better suppression property than the pure RM or NaHCO 3 powders. The loading amount of NaHCO 3 has an intensive influence on the inhibition property of NaHCO 3 /RM composite powders. The best loaded content of NaHCO 3 is 35%. It exhibited significant inhibitory effect that the explosion max-pressure declined 44.9%, the max-pressure rise rate declined 96.3% and the pressure peak time delayed 366.7%, respectively. Copyright © 2017 Elsevier B.V. All rights reserved.

  4. The structure and mechanical properties of parts elaborated by direct laser deposition 316L stainless steel powder obtained in various ways

    Science.gov (United States)

    Loginova, I. S.; Solonin, A. N.; Prosviryakov, A. S.; Adisa, S. B.; Khalil, A. M.; Bykovskiy, D. P.; Petrovskiy, V. N.

    2017-12-01

    In this work the morphology, the size and the chemical composition of the powders of steel 316L received by the two methods was studied: fusion dispersion by a gas stream and reduction of metal chlorides with the subsequent plasma atomization of the received powder particles. The powder particles received by the first method have a spherical shape (aspect ratio 1,0-1,2) with an average size of 77 μm and are characterized by the absence of internal porosity. Particles of the powder received by the second method also have a spherical shape and faultless structure, however, their chemical composition may vary in different particles. The average size of particles is 32 μm. Though the obtained powders had different properties, the experimental samples received by DLD technology demonstrated by equally high durability (Ultimate strength is 623±5 and of 623±18 MPa respectively) and plasticity (38 and 41% respectively). It is established that mechanical properties of DLD samples increase for 7-10% after treatment of the surface.

  5. Correlation between structure and rheological properties of suspension of nanosized powders

    Energy Technology Data Exchange (ETDEWEB)

    Tabellion, J.; Clasen, R. [Saarland Univ., Saarbruecken (Germany). Dept. of Powder Technology; Reinshagen, J.; Oberacker, R.; Hoffmann, M.J. [Karlsruhe Univ. (Germany). Inst. for Ceramics in Mechanical Engineering

    2002-07-01

    Since the properties of a ceramic green body and compact produced thereof are strongly influenced by the properties of the suspension used, controlling structure and properties of a suspension is a very important issue in ceramic manufacturing. Macroscopically, the rheological properties of a suspension are the key parameters that influence the behaviour during the shaping process. The rheological behaviour of aqueous suspensions of nanosized fumed silica (DEGUSSA, Aerosil OX50) with different amounts of OX50 (10 to 50 wt.%) was measured over a pH-range from 1 to 13 by means of rotational viscosimetry. A distinct maximum of the viscosity was observed for a pH of about 7 to 8, independent of the solid content of the suspensions. Since the rheological behaviour of the suspensions could not be explained by the {zeta}-Potential measured for OX50, the suspensions were investigated by means of so-called cryo-SEM characterization. A droplet of the suspension is quench-frozen in subcooled nitrogen (-210 C), prepared and the water is sublimed at -90 C. Thus it was possible to visualize the agglomerate structure of the primary OX50-particles within the suspensions. (orig.)

  6. Structural and morphological characterization of TiO2 powders prepared using Pechini and combustion reaction

    International Nuclear Information System (INIS)

    Ribeiro, P.C.; Almeida, E.P.; Costa, A.C.F.M. da; Lira, H.L.; Kiminami, R.H.G.A.

    2010-01-01

    TiO 2 is a semiconductor oxide and polymorphic and can exist in three crystallographic forms: anatase, rutile and broquita, and forms anatase and rutile are the major interests in scientific research. Thus, this study aims to synthesize TiO 2 by Pechini methods and combustion reaction and to evaluate the influence of synthesis methods in structural and morphological characteristics of the samples. The nanopowders were characterized by X-ray diffraction, nitrogen adsorption, and particle size distribution and scanning electron microscopy. The results of X-ray diffraction showed that the samples obtained by the Pechini method showed the single phase anatase with crystallite size of 20 nm and surface area of 49.44 m 2 /g, whereas the samples synthesized by combustion reaction using glycine as fuel showed the rutile phase as major phase and traces of anatase phase, with crystallite size of 65 nm and surface area 4.34 m 2 /g. (author)

  7. Plastic deformation of uranium dioxide: observation of the sub-structures of dislocations

    International Nuclear Information System (INIS)

    Alamo, A.; Lefebvre, J.M.; Soullard, J.

    1978-01-01

    Single crystals of uranium dioxide were deformed in compression at imposed strain rates in the temperature range of 700 0 C to 1400 0 C. The crystals were oriented to promote slip over one or two slip systems of the family [100] and also on the [110] system. Thin films of the deformed specimens were examined by transmission electron microscopy. When [100] single glide system operates, the dislocation substructure consist of numerous dipoles, their edge components lying along directions. For the [100] double glide system the grain boundaries and dislocation hexagonal network are observed, the complexity of which increases with the nominal strain. Dislocation arrangments consisting of extensive cellular networks of tangling dislocations and hexagonal netting were detected for [110] system. The auxillary role of [111] planes on the dislocation cross slip from [100] and [110] system was demonstrated. Weak beam images suggest that dissociation of dislocations can occur. (Auth.)

  8. Influence of annealing and nitrogenation on structure and magnetic properties of mechanically alloyed Sm-Fe powders

    Energy Technology Data Exchange (ETDEWEB)

    Teresiak, A.; Kubis, M.; Mattern, N.; Wolf, M.; Mueller, K.-H. [Institut fuer Festkoerper- und Werkstofforschung Dresden e.V. (Germany)

    1998-07-01

    Sm-Fe-N compounds were prepared by mechanical alloying, subsequent annealing and nitrogenation. For crystal structure investigations of the non-equilibrium phases Sm{sub 2}Fe{sub 17+x} and Sm{sub 2}Fe{sub 17+x}N{sub y}, respectively, formed at the various annealing temperatures T{sub A}, XRD with following Rietveld analysis was used. For T{sub A} between 600 C and 750 C a modified hexagonal TbCu{sub 7} structure (space group P6/mmm) was found in which the Fe(2c) site is replaced by the partially (1/3) and randomly occupied Fe(61) site. The approximated composition is SmFe{sub 8.8-9.0}. The nitrogenated alloys crystallize in the same structure for 600 C < T{sub A} < 700 C. In this case the interstitial nitrogen randomly occupies the 3f site partially (1/3). For 800 C {<=} T{sub A} {<=} 900 C a disordered modified Th{sub 2}Zn{sub 17} structure (space group R anti 3m) was found that is formed by introducing additional Fe (6c) and Sm(3a) positions. The degree of order of the Sm- and Fe-atoms in c-direction increases with increasing annealing temperature. The completely ordered stoichiometric Sm{sub 2}Fe{sub 17} structure could not be reached by annealing the ball milled elemental powders. The nitrided alloys already form this intermediate structure at T{sub A} = 750 C. The interstitial nitrogen occupies the 9e site. The estimated nitrogen content is higher in the hexagonal phases than in the rhombohedral phase. Optimum magnetic properties, in particular a coercitivity {mu}{sub 01}H{sub C} = 3.7 T and a good squareness of the demagnetization curve, were obtained for T{sub A} = 750 C. Here we found a nitrogen content of y = 3 for Sm{sub 2}Fe{sub 17+x}N{sub y}. (orig.)

  9. 1-(2-furoyl)-3,3-(diphenyl)thiourea: spectroscopic characterization and structural study from X-ray powder diffraction using simulated annealing

    Energy Technology Data Exchange (ETDEWEB)

    Estevez H, O.; Duque, J. [Universidad de La Habana, Instituto de Ciencia y Tecnologia de Materiales, 10400 La Habana (Cuba); Rodriguez H, J. [UNAM, Instituto de Investigaciones en Materiales, 04510 Mexico D. F. (Mexico); Yee M, H., E-mail: oestevezh@yahoo.com [Instituto Politecnico Nacional, Escuela Superior de Fisica y Matematicas, 07738 Mexico D. F. (Mexico)

    2015-07-01

    1-Furoyl-3,3-diphenylthiourea (FDFT) was synthesized, and characterized by Ftir, {sup 1}H and {sup 13}C NMR and ab initio X-ray powder structure analysis. FDFT crystallizes in the monoclinic space group P2{sub 1} with a = 12.691(1), b = 6.026(2), c = 11.861(1) A, β = 117.95(2) and V = 801.5(3) A{sup 3}. The crystal structure has been determined from laboratory X-ray powder diffraction data using direct space global optimization strategy (simulated annealing) followed by the Rietveld refinement. The thiourea group makes a dihedral angle of 73.8(6) with the furoyl group. In the crystal structure, molecules are linked by van der Waals interactions, forming one-dimensional chains along the a axis. (Author)

  10. Engineering the Surface/Interface Structures of Titanium Dioxide Micro and Nano Architectures towards Environmental and Electrochemical Applications

    Directory of Open Access Journals (Sweden)

    Xiaoliang Wang

    2017-11-01

    Full Text Available Titanium dioxide (TiO2 materials have been intensively studied in the past years because of many varied applications. This mini review article focuses on TiO2 micro and nano architectures with the prevalent crystal structures (anatase, rutile, brookite, and TiO2(B, and summarizes the major advances in the surface and interface engineering and applications in environmental and electrochemical applications. We analyze the advantages of surface/interface engineered TiO2 micro and nano structures, and present the principles and growth mechanisms of TiO2 nanostructures via different strategies, with an emphasis on rational control of the surface and interface structures. We further discuss the applications of TiO2 micro and nano architectures in photocatalysis, lithium/sodium ion batteries, and Li–S batteries. Throughout the discussion, the relationship between the device performance and the surface/interface structures of TiO2 micro and nano structures will be highlighted. Then, we discuss the phase transitions of TiO2 nanostructures and possible strategies of improving the phase stability. The review concludes with a perspective on the current challenges and future research directions.

  11. Synthesis and characterization on titanium dioxide prepared by precipitation and hydrothermal treatment

    International Nuclear Information System (INIS)

    Santos, Andre V.P. dos; Yoshito, Walter K.; Lazar, Dolores R.R.; Ussui, Valter

    2012-01-01

    Surface properties of titanium dioxide (titania) are outstanding among ceramic materials and enables uses as catalysts, photoelectrochemical devices, solar cells and others. In many of these applications, it is necessary to keep the anatase phase, that is stable only in low temperatures (<400 deg C). In the present work, the influence of hydrothermal treatment on physical characteristics and crystal structure of titania powders synthesized by precipitation was investigated. Characterizations of obtained powders were carried out by X-ray diffraction, surface area analysis by N2 gas sorption (BET) and microstructure of powders and ceramics were analyzed by scanning electron microscopy. As prepared powders were formed as cylindrical pellets by uniaxial pressing and sintered at 1500 deg C for 01 hour. Results showed that anatase phase without formation of rutile phase can be formed in hydrothermally treated samples . Rutile phase is predominant in calcined and/or sintered samples (author)

  12. Insights into the Electronic Structure of Ozone and Sulfur Dioxide from Generalized Valence Bond Theory: Addition of Hydrogen Atoms.

    Science.gov (United States)

    Lindquist, Beth A; Takeshita, Tyler Y; Dunning, Thom H

    2016-05-05

    Ozone (O3) and sulfur dioxide (SO2) are valence isoelectronic species, yet their properties and reactivities differ dramatically. In particular, O3 is highly reactive, whereas SO2 is chemically relatively stable. In this paper, we investigate serial addition of hydrogen atoms to both the terminal atoms of O3 and SO2 and to the central atom of these species. It is well-known that the terminal atoms of O3 are much more amenable to bond formation than those of SO2. We show that the differences in the electronic structure of the π systems in the parent triatomic species account for the differences in the addition of hydrogen atoms to the terminal atoms of O3 and SO2. Further, we find that the π system in SO2, which is a recoupled pair bond dyad, facilitates the addition of hydrogen atoms to the sulfur atom, resulting in stable HSO2 and H2SO2 species.

  13. The analysis of powder diffraction data

    International Nuclear Information System (INIS)

    David, W.I.F.; Harrison, W.T.A.

    1986-01-01

    The paper reviews neutron powder diffraction data analysis, with emphasis on the structural aspects of powder diffraction and the future possibilities afforded by the latest generation of very high resolution neutron and x-ray powder diffractometers. Traditional x-ray powder diffraction techniques are outlined. Structural studies by powder diffraction are discussed with respect to the Rietveld method, and a case study in the Rietveld refinement method and developments of the Rietveld method are described. Finally studies using high resolution powder diffraction at the Spallation Neutron Source, ISIS at the Rutherford Appleton Laboratory are summarized. (U.K.)

  14. Investigation of structural and optical properties of CaTiO3 powders doped with Mg2+ and Eu3+ ions

    International Nuclear Information System (INIS)

    Oliveira, Larissa H.; Savioli, Julia; Moura, Ana P. de; Nogueira, Içamira C.; Li, Maximo S.; Longo, Elson; Varela, José A.; Rosa, Ieda L.V.

    2015-01-01

    In this work, CaTiO 3 powders doped with Mg 2+ ions and CaTiO 3 powders co-doped with Mg 2+ and Eu 3+ ions were prepared by the polymeric precursor method (PPM). These powders were characterized by different characterization techniques to study the influence of Mg 2+ doping as well as Mg 2+ and Eu 3+ co-doping in structural and optical properties of CaTiO 3 perovskite-type structure. The Rietveld refinement and Micro-Raman analyses suggested the substitution Mg 2+ and Eu 3+ ions in the A-site of CaTiO 3 perovskite. The influence of Mg 2+ doping can be detected by the displacement of calcium and oxygen atomic positions when compared to the non-doped CaTiO 3 powder. When Eu 3+ ions are added to the A-site of this perovskite the excess of positive charge can be compensated by the formation of calcium vacancies. Luminescence data showed that Ca 1-x Mg x TiO 3 and Ca 1x Mg x/2 Eu 2y/3 TiO 3 powders are potential materials for fabrication of lighting devices based on near-UV and blue LED using an excitation wavelength of 397 and/or 450 nm. - Highlights: • CaTiO 3 co-doped with Mg 2+ and Eu 3+ were obtained by the Polymeric Precursor Method. • Incorporation of Mg 2+ and Eu 3+ ions in the CaTiO 3 lattice. • Enhancement of the Eu 3+ photoluminescence

  15. Electrical Conductivity of Ni-YSZ Anode for SOFCs According to the Ni Powder Size Variations in Core-shell Structure

    International Nuclear Information System (INIS)

    Kang, Young Jin; Jung, Sung-Hun; An, Yong-Tae; Choi, Byung-Hyun; Ji, Mi-Jung

    2015-01-01

    Ni-YSZ (Y_2O_3-stabilized ZrO_2) core-shell structures were prepared by a high-speed mixing method, starting from Ni particles of three different average sizes of 0.2, 0.4, and 1.8 μm. The Ni-YSZ core-shell structures prepared using Ni particles of size 0.2, 0.4, and 1.8 μm exhibited dense core, porous core, and random-morphology core, respectively. Subsequently, nano structured cermet anodes were fabricated using the prepared Ni-YSZ core-shell powders. During the formation of cermet, the heat treatment of Ni-YSZ core-shell powder results in the eruption of Ni core out of the YSZ shell layers, thereby facilitating the formation of nano structured Ni-YSZ cermet. Systematic studies indicated that the morphology and electrical conductivity of the prepared Ni-YSZ core-shell powders and the cermet anode varied, depending on the initial particle size of the Ni particles. Of the different samples prepared in this study, the Ni-YSZ cermet prepared using Ni particles of size 0.4 μm showed the highest electrical conductivity at 750 ℃.

  16. Electrical Conductivity of Ni-YSZ Anode for SOFCs According to the Ni Powder Size Variations in Core-shell Structure

    Energy Technology Data Exchange (ETDEWEB)

    Kang, Young Jin; Jung, Sung-Hun; An, Yong-Tae; Choi, Byung-Hyun; Ji, Mi-Jung [Korea Institute of Ceramic Engineering and Technology (KICET), Seoul (Korea, Republic of)

    2015-04-15

    Ni-YSZ (Y{sub 2}O{sub 3}-stabilized ZrO{sub 2}) core-shell structures were prepared by a high-speed mixing method, starting from Ni particles of three different average sizes of 0.2, 0.4, and 1.8 μm. The Ni-YSZ core-shell structures prepared using Ni particles of size 0.2, 0.4, and 1.8 μm exhibited dense core, porous core, and random-morphology core, respectively. Subsequently, nano structured cermet anodes were fabricated using the prepared Ni-YSZ core-shell powders. During the formation of cermet, the heat treatment of Ni-YSZ core-shell powder results in the eruption of Ni core out of the YSZ shell layers, thereby facilitating the formation of nano structured Ni-YSZ cermet. Systematic studies indicated that the morphology and electrical conductivity of the prepared Ni-YSZ core-shell powders and the cermet anode varied, depending on the initial particle size of the Ni particles. Of the different samples prepared in this study, the Ni-YSZ cermet prepared using Ni particles of size 0.4 μm showed the highest electrical conductivity at 750 ℃.

  17. Powder diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Hart, M.

    1995-12-31

    the importance of x-ray powder diffraction as an analytical tool for phase identification of materials was first pointed out by Debye and Scherrer in Germany and, quite independently, by Hull in the US. Three distinct periods of evolution lead to ubiquitous application in many fields of science and technology. In the first period, until the mid-1940`s, applications were and developed covering broad categories of materials including inorganic materials, minerals, ceramics, metals, alloys, organic materials and polymers. During this formative period, the concept of quantitative phase analysis was demonstrated. In the second period there followed the blossoming of technology and commercial instruments became widely used. The history is well summarized by Parrish and by Langford and Loueer. By 1980 there were probably 10,000 powder diffractometers in routine use, making it the most widely used of all x-ray crystallographic instruments. In the third, present, period data bases became firmly established and sophisticated pattern fitting and recognition software made many aspects of powder diffraction analysis routine. High resolution, tunable powder diffractometers were developed at sources of synchrotron radiation. The tunability of the spectrum made it possible to exploit all the subtleties of x-ray spectroscopy in diffraction experiments.

  18. Powder diffraction

    International Nuclear Information System (INIS)

    Hart, M.

    1995-01-01

    The importance of x-ray powder diffraction as an analytical tool for phase identification of materials was first pointed out by Debye and Scherrer in Germany and, quite independently, by Hull in the US. Three distinct periods of evolution lead to ubiquitous application in many fields of science and technology. In the first period, until the mid-1940's, applications were and developed covering broad categories of materials including inorganic materials, minerals, ceramics, metals, alloys, organic materials and polymers. During this formative period, the concept of quantitative phase analysis was demonstrated. In the second period there followed the blossoming of technology and commercial instruments became widely used. The history is well summarized by Parrish and by Langford and Loueer. By 1980 there were probably 10,000 powder diffractometers in routine use, making it the most widely used of all x-ray crystallographic instruments. In the third, present, period data bases became firmly established and sophisticated pattern fitting and recognition software made many aspects of powder diffraction analysis routine. High resolution, tunable powder diffractometers were developed at sources of synchrotron radiation. The tunability of the spectrum made it possible to exploit all the subtleties of x-ray spectroscopy in diffraction experiments

  19. Powder diffractometry

    International Nuclear Information System (INIS)

    Doucet, J.

    1983-01-01

    The new possibilities openned by the synchrotron radiation in the powder diffractometry techniques are presented. This technique is described in a general manner and some aspects which can be developed with the use of the synchrotron radiation are analyzed. (L.C.) [pt

  20. Effect of process control agent on the porous structure and mechanical properties of a biomedical Ti-Sn-Nb alloy produced by powder metallurgy.

    Science.gov (United States)

    Nouri, A; Hodgson, P D; Wen, C E

    2010-04-01

    The influence of different amounts and types of process control agent (PCA), i.e., stearic acid and ethylene bis-stearamide, on the porous structure and mechanical properties of a biomedical Ti-16Sn-4Nb (wt.%) alloy was investigated. Alloy synthesis was performed on elemental metal powders using high-energy ball milling for 5h. Results indicated that varying the PCA content during ball milling led to a drastic change in morphology and particle-size distribution of the ball-milled powders. Porous titanium alloy samples sintered from the powders ball milled with the addition of various amounts of PCA also revealed different pore morphology and porosity. The Vickers hardness of the sintered titanium alloy samples exhibited a considerable increase with increasing PCA content. Moreover, the addition of larger amounts of PCA in the powder mixture resulted in a significant increase in the elastic modulus and peak stress for the sintered porous titanium alloy samples under compression. It should also be mentioned that the addition of PCA introduced contamination (mainly carbon and oxygen) into the sintered porous product. Crown Copyright 2009. Published by Elsevier Ltd. All rights reserved.

  1. The influence of powder composition and sintering temperature on transformation kinetics, structure and mechanical properties of hot-pressed silicon nitride

    International Nuclear Information System (INIS)

    Knoch, H.; Ziegler, G.

    1977-01-01

    The strength at room temperature of hot-pressed silicon nitride is strongly dependent on the structure which in turn depends on powder composition and process parameters. Connections between production conditions (MgO content, pressing temperature, pressing time), structure (α/β content and morphology), and the properties at room temperature are discussed. The growth of oblong β grains - as a direct result of phase transition from α- to β-Si 3 N 4 - results in microstructural meshing and thus in a higher strength. Optimum mechanical properties are achieved after full phase transformation and with a microstructure as fine as possible. The direct connection between strength and transformed β fraction indicates a possible way for a relatively fast determination of optimum properties for a given initial powder. (orig.) [de

  2. Size-dependent magnetic and structural properties of CoCrFeO4 nano-powder prepared by solution self-combustion

    Science.gov (United States)

    Sijo, A. K.; Dutta, Dimple P.

    2018-04-01

    The study reports the tuning of magnetic and structural properties of nano-sized CoCrFeO4 via post-annealing treatment. CoCrFeO4 nano-powder has been prepared by solution self-combustion method. The structural and magnetic properties have been studied over a range of annealing temperatures (300-900 °C). The formation of the phase pure CoCrFeO4 spinel has been confirmed from powder XRD analysis. The crystallite size is observed to increase with an increase in annealing temperature. On annealing, the value of magnetic parameters-remanence, coercivity and saturation magnetization have enhanced. All the samples exhibit irreversibility at low-temperature measurements.

  3. STRUCTURE, PHASE COMPOSITION AND PROPERTIES OF GAS-THERMAL COVERINGS OF MECHANICALLY ALLOYED THERMOREACTING COMPOSITE POWDERS OF NICKEL-ALUMINIUM SYSTEM

    Directory of Open Access Journals (Sweden)

    F. G. Lovshenko

    2015-01-01

    Full Text Available The presented results show that coverings from mechanically alloyed thermoreacting powders of system «nickel–aluminum» are nonequilibrium multiphase systems which basis represents solid solution of aluminum in nickel. It has the microcrystalline type of structure which is characterized by an advanced surface of borders of the grains and subgrains stabilized by nanodimensional inclusions of oxides and alyuminid. These coverings surpass by 1,2–1,6 times analogs in durability, hardness and wear resistance.

  4. Comparison of carbon dioxide emissions with fluid upflow, chemistry, and geologic structures at the Rotorua geothermal system, New Zealand

    International Nuclear Information System (INIS)

    Werner, Cynthia; Cardellini, Carlo

    2006-01-01

    During 2002 and 2003, carbon dioxide fluxes were measured across the Rotorua geothermal system in the Taupo Volcanic Zone (TVZ), New Zealand. The results of a 956-measurement survey and of modeling studies show that CO 2 fluxes could be used to determine the main hot fluid upflow areas in Rotorua, and perhaps in undeveloped geothermal regions. Elevated degassing was observed along inferred fault traces and structures, lending confidence to their existence at depth. Degassing was also observed along lineaments that were consistent with the alignment of basement faulting in the TVZ. Areas where elevated degassing was spatially extensive typically overlapped with known regions of hot ground; however, elevated CO 2 fluxes were also observed in isolated patches of non-thermal ground. The total emission rate calculated from sequential Gaussian simulation modeling of CO 2 fluxes across the geothermal system was 620td -1 from an 8.9-km 2 area. However, because approximately one-third of the geothermal system is known to extend beneath Lake Rotorua, we expect the emissions could be minimally on the order of 1000td -1 . Comparing the emission rate with geochemical analyses of geothermal fluids and estimated upflows suggests that the majority of deep carbon reaches the surface in the form of carbon dioxide gas, and that less than one tenth of the CO 2 emissions is dissolved in, or released from, the fluids at depth. Thus, the geothermal reservoir exerts very little control on deep degassing of CO 2 . Carbon isotopic analyses of soil gases suggest a primarily magmatic source for the origin of the CO 2 . The total Rotorua emission rate is comparable to those from active volcanoes such as at White Island, New Zealand, and, when normalized by geothermal area, is comparable to other volcanic and hydrothermal regions worldwide. (author)

  5. The Effect of Annealing on the Structural and Optical Properties of Titanium Dioxide Films Deposited by Electron Beam Assisted PVD

    Directory of Open Access Journals (Sweden)

    Yaser M. Abdulraheem

    2013-01-01

    Full Text Available Titanium dioxide thin films were deposited on crystalline silicon substrates by electron beam physical vapor deposition. The deposition was performed under vacuum ranging from 10−5 to 10−6 Torr without process gases, resulting in homogeneous TiO2-x layers with a thickness of around 100 nm. Samples were then annealed at high temperatures ranging from 500°C to 800°C for 4 hours under nitrogen, and their structural and optical properties along with their chemical structure were characterized before and after annealing. The chemical and structural characterization revealed a substoichiometric TiO2-x film with oxygen vacancies, voids, and an interface oxide layer. It was found from X-ray diffraction that the deposited films were amorphous and crystallization to anatase phase occurred for annealed samples and was more pronounced for annealing temperatures above 700°C. The refractive index obtained through spectroscopic ellipsometry ranged between 2.09 and 2.37 in the wavelength range, 900 nm to 400 nm for the as-deposited sample, and jumped to the range between 2.23 and 2.65 for samples annealed at 800°C. The minimum surface reflectance changed from around 0.6% for the as-deposited samples to 2.5% for the samples annealed at 800°C.

  6. Geohydrology and potential effects of coal mining in 12 coal-lease areas, Powder River structural basin, northeastern Wyoming. Water Resources Investigation

    International Nuclear Information System (INIS)

    Fogg, J.L.; Martin, M.W.; Daddow, P.B.

    1991-01-01

    The purpose of the report is to describe the geohydrology of 12 coal-lease areas in the Powder River structural basin in relation to the mining proposed for each area. The description of the geohydrology of each of the lease areas focuses on the shallow ground-water system and includes identification of recharge and discharge areas, directions of ground-water movement, and potential effects of mining. The shallow ground-water system in the Powder River structural basin is not well defined because of the discontinuous nature of the aquifers in the basin. Understanding the ground-water hydrology of these 12 coal-lease areas will improve understanding of the shallow ground-water system in the basin. The first part of the report is a description of the general geohydrology of the Wyoming part of the Powder River structural basin. The second part of the report is a general discussion of the effects of coal mining on ground-water hydrology. The third part of the report contains site-specific discussions of the ground-water hydrology and potential effects of mining for each of the 12 coal-lease areas

  7. The effect of powder blend and tablet structure on drug release mechanisms of hydrophobic starch acetate matrix tablets

    NARCIS (Netherlands)

    Van Veen, B.; Pajander, J.; Zuurman, K.; Lappalainen, R.; Poso, A.; Frijlink, H.W.; Ketolainen, J.

    2005-01-01

    This study investigates the release mechanism of a hydrophilic drug (caffeine) from hydrophobic matrix tablets composed of starch acetate. Different particle size fractions of starch acetate were mixed with caffeine (22% V/V) to obtain various mixture organisations in the powder, as 14 well as in

  8. The cohesive energy of uranium dioxide and thorium dioxide

    International Nuclear Information System (INIS)

    Childs, B.G.

    1958-08-01

    Theoretical values have been calculated of the heats of formation of uranium dioxide and thorium dioxide on the assumption that the atomic binding forces in these solids are predominantly ionic in character. The good agreement found between the theoretical and observed values shows that the ionic model may, with care, be used in calculating the energies of defects in the uranium and thorium dioxide crystal structures. (author)

  9. Acemetacin cocrystals and salts: structure solution from powder X-ray data and form selection of the piperazine salt

    Directory of Open Access Journals (Sweden)

    Palash Sanphui

    2014-03-01

    Full Text Available Acemetacin (ACM is a non-steroidal anti-inflammatory drug (NSAID, which causes reduced gastric damage compared with indomethacin. However, acemetacin has a tendency to form a less soluble hydrate in the aqueous medium. We noted difficulties in the preparation of cocrystals and salts of acemetacin by mechanochemical methods, because this drug tends to form a hydrate during any kind of solution-based processing. With the objective to discover a solid form of acemetacin that is stable in the aqueous medium, binary adducts were prepared by the melt method to avoid hydration. The coformers/salt formers reported are pyridine carboxamides [nicotinamide (NAM, isonicotinamide (INA, and picolinamide (PAM], caprolactam (CPR, p-aminobenzoic acid (PABA, and piperazine (PPZ. The structures of an ACM–INA cocrystal and a binary adduct ACM–PABA were solved using single-crystal X-ray diffraction. Other ACM cocrystals, ACM–PAM and ACM–CPR, and the piperazine salt ACM–PPZ were solved from high-resolution powder X-ray diffraction data. The ACM–INA cocrystal is sustained by the acid...pyridine heterosynthon and N—H...O catemer hydrogen bonds involving the amide group. The acid...amide heterosynthon is present in the ACM–PAM cocrystal, while ACM–CPR contains carboxamide dimers of caprolactam along with acid–carbonyl (ACM hydrogen bonds. The cocrystals ACM–INA, ACM–PAM and ACM–CPR are three-dimensional isostructural. The carboxyl...carboxyl synthon in ACM–PABA posed difficulty in assigning the position of the H atom, which may indicate proton disorder. In terms of stability, the salts were found to be relatively stable in pH 7 buffer medium over 24 h, but the cocrystals dissociated to give ACM hydrate during the same time period. The ACM–PPZ salt and ACM–nicotinamide cocrystal dissolve five times faster than the stable hydrate form, whereas the ACM–PABA adduct has 2.5 times faster dissolution rate. The pharmaceutically acceptable

  10. Acemetacin cocrystals and salts: structure solution from powder X-ray data and form selection of the piperazine salt.

    Science.gov (United States)

    Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini; Chernyshev, Vladimir

    2014-03-01

    Acemetacin (ACM) is a non-steroidal anti-inflammatory drug (NSAID), which causes reduced gastric damage compared with indomethacin. However, acemetacin has a tendency to form a less soluble hydrate in the aqueous medium. We noted difficulties in the preparation of cocrystals and salts of acemetacin by mechanochemical methods, because this drug tends to form a hydrate during any kind of solution-based processing. With the objective to discover a solid form of acemetacin that is stable in the aqueous medium, binary adducts were prepared by the melt method to avoid hydration. The coformers/salt formers reported are pyridine carboxamides [nicotinamide (NAM), isonicotinamide (INA), and picolinamide (PAM)], caprolactam (CPR), p-aminobenzoic acid (PABA), and piperazine (PPZ). The structures of an ACM-INA cocrystal and a binary adduct ACM-PABA were solved using single-crystal X-ray diffraction. Other ACM cocrystals, ACM-PAM and ACM-CPR, and the piperazine salt ACM-PPZ were solved from high-resolution powder X-ray diffraction data. The ACM-INA cocrystal is sustained by the acid⋯pyridine heterosynthon and N-H⋯O catemer hydrogen bonds involving the amide group. The acid⋯amide heterosynthon is present in the ACM-PAM cocrystal, while ACM-CPR contains carboxamide dimers of caprolactam along with acid-carbonyl (ACM) hydrogen bonds. The cocrystals ACM-INA, ACM-PAM and ACM-CPR are three-dimensional isostructural. The carboxyl⋯carboxyl synthon in ACM-PABA posed difficulty in assigning the position of the H atom, which may indicate proton disorder. In terms of stability, the salts were found to be relatively stable in pH 7 buffer medium over 24 h, but the cocrystals dissociated to give ACM hydrate during the same time period. The ACM-PPZ salt and ACM-nicotinamide cocrystal dissolve five times faster than the stable hydrate form, whereas the ACM-PABA adduct has 2.5 times faster dissolution rate. The pharmaceutically acceptable piperazine salt of acemetacin exhibits superior

  11. Application of Powder Diffraction Methods to the Analysis of the Atomic Structure of Nanocrystals: The Concept of the Apparent Lattice Parameter (ALP)

    Science.gov (United States)

    Palosz, B.; Grzanka, E.; Gierlotka, S.; Stelmakh, S.; Pielaszek, R.; Bismayer, U.; Weber, H.-P.; Palosz, W.; Curreri, Peter A. (Technical Monitor)

    2002-01-01

    The applicability of standard methods of elaboration of powder diffraction data for determination of the structure of nano-size crystallites is analysed. Based on our theoretical calculations of powder diffraction data we show, that the assumption of the infinite crystal lattice for nanocrystals smaller than 20 nm in size is not justified. Application of conventional tools developed for elaboration of powder diffraction data, like the Rietveld method, may lead to erroneous interpretation of the experimental results. An alternate evaluation of diffraction data of nanoparticles, based on the so-called 'apparent lattice parameter' (alp) is introduced. We assume a model of nanocrystal having a grain core with well-defined crystal structure, surrounded by a surface shell with the atomic structure similar to that of the core but being under a strain (compressive or tensile). The two structural components, the core and the shell, form essentially a composite crystal with interfering, inseparable diffraction properties. Because the structure of such a nanocrystal is not uniform, it defies the basic definitions of an unambiguous crystallographic phase. Consequently, a set of lattice parameters used for characterization of simple crystal phases is insufficient for a proper description of the complex structure of nanocrystals. We developed a method of evaluation of powder diffraction data of nanocrystals, which refers to a core-shell model and is based on the 'apparent lattice parameter' methodology. For a given diffraction pattem, the alp values are calculated for every individual Bragg reflection. For nanocrystals the alp values depend on the diffraction vector Q. By modeling different a0tomic structures of nanocrystals and calculating theoretically corresponding diffraction patterns using the Debye functions we showed, that alp-Q plots show characteristic shapes which can be used for evaluation of the atomic structure of the core-shell system. We show, that using a simple

  12. Structure and mechanical properties of parts obtained by selective laser melting of metal powder based on intermetallic compounds Ni3Al

    Science.gov (United States)

    Smelov, V. G.; Sotov, A. V.; Agapovichev, A. V.; Nosova, E. A.

    2018-03-01

    The structure and mechanical properties of samples are obtained from metal powder based on intermetallic compound by selective laser melting. The chemical analysis of the raw material and static tensile test of specimens were made. Change in the samples’ structure and mechanical properties after homogenization during four and twenty-four hours were investigated. A small-sized combustion chamber of a gas turbine engine was performed by the selective laser melting method. The print combustion chamber was subjected to the gas-dynamic test in a certain temperature and time range.

  13. Sorbent Structural Impacts Due to Humidity on Carbon Dioxide Removal Sorbents for Advanced Exploration Systems

    Science.gov (United States)

    Watson, David; Knox, James C.; West, Phillip; Stanley, Christine M.; Bush, Richard

    2015-01-01

    The Life Support Systems Project (LSSP) under the Advanced Exploration Systems (AES) program builds upon the work performed under the AES Atmosphere Resource Recovery and Environmental Monitoring (ARREM) project focusing on the numerous technology development areas. The CO2 removal and associated air drying development efforts are focused on improving the current state-of-the-art system on the International Space Station (ISS) utilizing fixed beds of sorbent pellets by seeking more robust pelletized sorbents, evaluating structured sorbents, and examining alternate bed configurations to improve system efficiency and reliability. A component of the CO2 removal effort encompasses structural stability testing of existing and emerging sorbents. Testing will be performed on dry sorbents and sorbents that have been conditioned to three humidity levels. This paper describes the sorbent structural stability screening efforts in support of the LSS Project within the AES Program.

  14. Adsorption of F{sub 2}C=CFCl on TiO{sub 2} nano-powder: Structures, energetics and vibrational properties from DRIFT spectroscopy and periodic quantum chemical calculations

    Energy Technology Data Exchange (ETDEWEB)

    Tasinato, Nicola, E-mail: tasinato@unive.it; Moro, Daniele; Stoppa, Paolo; Pietropolli Charmet, Andrea; Toninello, Piero; Giorgianni, Santi

    2015-10-30

    Graphical abstract: - Highlights: • Adsorption of F{sub 2}C=CFCl on TiO{sub 2} unveiled by DRIFTS and periodic DFT. • Structural, energetic and vibrational properties of F{sub 2}C=CFCl @ anatase (1 0 1). • Binding energies (B3LYP-D2) between −17 and −46 kJ mol{sup −1} depending on the anchor point. • Theory and experiment converge on the CF{sub 2} moiety as the main anchor point. - Abstract: Photodegradation over titanium dioxide (TiO{sub 2}) is a very appealing technology for removing environmental pollutants from the air, the adsorption interaction being the first step of the whole reaction pathway. In the present work the adsorption of F{sub 2}C=CFCl (chlorotrifluoroethene, halon 1113), a compound used by industry and detected in the atmosphere, on a commercial TiO{sub 2} nano-powder is investigated experimentally by in situ DRIFT spectroscopy and theoretically through periodic ab initio calculations rooted in DFT. The spectra of the adsorbed molecule suggest that the anchoring to the surface mainly takes place through F atoms. Theoretically, five adsorption configurations for the molecule interacting with the anatase (1 0 1) surface are simulated at B3LYP level and for each of them, structures, binding energies and vibrational frequencies are derived. The interplay between theory and experiments shows the coexistence of different adsorption configurations, the foremost ones featuring the interaction of one F atom with a fivefold coordinated Ti{sup 4+} of the surface. These two adsorption models, which mostly differ for the orientation of the adsorbate with respect to the surface, feature a binding energy of −45.6 and −41.0 kJ mol{sup −1} according to dispersion corrected DFT calculations. The favorable adsorption interaction appears as an important requirement toward the application of titanium dioxide technologies for the photocatalytic degradation of halon 1113.

  15. Adsorption of Carbon Dioxide onto Tetraethylenepentamine Impregnated PMMA Sorbents with Different Pore Structure

    Energy Technology Data Exchange (ETDEWEB)

    Jo, Dong Hyun; Park, Cheonggi; Jung, Hyunchul; Kim, Sung Hyun [Korea University, Seoul (Korea, Republic of)

    2015-02-15

    Poly(methyl methacrylate) (PMMA) supports and amine additives were investigated to adsorb CO{sub 2}. PMMA supports were fabricated by using different ratio of pore forming agents (porogen) to control the BET specific surface area, pore volume and distribution. Toluene and xylene are used for porogens. Supported amine sorbents were prepared by wet impregnation of tetraethylenepentamine (TEPA) on PMMA supports. So we could identify the effect of the pore structure of supports and the quantity of impregnated TEPA on the adsorption capacity. The increased amount of toluene as pore foaming agent resulted in the decreased average pore diameter and the increased BET surface area. Polymer supports with huge different pore distribution could be fabricated by controlling the ratio of porogen. After impregnation, the support with micropore structure is supposed the pore blocking and filling effect so that it has low CO{sub 2} capacity and kinetics due to the difficulty of diffusing. Macropore structure indicates fast adsorption capacity and low influence of amine loading. In case of support with mesopore, it has high performance of adsorption capacity and kinetics. So high surface area and meso-/macro- pore structure is suitable for CO{sub 2} capture.

  16. Characterizing the relationship between hyperstoichiometry, defect structure and local corrosion kinetics of uranium dioxide

    International Nuclear Information System (INIS)

    He Heming; Qin, Z.; Shoesmith, D.W.

    2010-01-01

    The ability of the UO 2 fluorite structure to accommodate large amounts of interstitial oxygen in various lattice sites leads to the formation of hyper-stoichiometric phases. The defect structures occurring in hyper-stoichiometric UO 2+x over the range 0.02 ≤ x ≤ 0.1 have been characterized by SEM/EDX and Raman analyses. The results demonstrate that as the nominal stoichiometry increases from 2.002 to 2.1, the diversity of defective structures existing on the UO 2+ surface also increases. Scanning electrochemical microscopy (SECM) measurements combined with a theoretical model were used to determine the rate constant for the reduction of the redox mediator ferrocene methanol, acting as a cathodic oxidant to corrode the four UO 2+x specimens. The rate constant was found to vary with location on the surface. Stoichiometric locations, with a well defined fluorite structure, exhibited very low corrosion rates. Higher rates were observed at more non-stoichiometric locations with the highest rates being obtained on locations exhibiting tetragonal distortions as their composition approached UO 2.33 . The distribution of rates increases with the degree of nominal non-stoichiometry as the diversity of microstructures existing on the UO 2+x surface increases.

  17. Chlorine dioxide as biocide to prevent biofouling in the hydro technical structures at KKNPP

    International Nuclear Information System (INIS)

    Ganesh, S.; Selvaraj, S.; Balasubramanian, M.R.; Selvavinayagam, P.; Sundar, R.S.

    2008-01-01

    Chlorination is envisaged in the sea water systems of KKNPP to control macro and micro bio-fouling of underwater structures and equipments. KKNPP intake and the fore bay structures are shown in detail. The sodium hypo chlorite required for chlorination is produced in the electro chlorination plant at site by the electrolysis of sea water. It is added in the sea water at the intake structure, tunnels and fore bay on continuous as well as periodic basis. The sea water to chlorination plant is supplied by the pumps located at the main pump house. Chlorination of sea water system by electro-chlorination is possible only after pump house flooding and commissioning of electro-chlorination plant. So for the period from breach of temporary dyke till commissioning of electro chlorination plant, chlorination by temporary method has to be done to prevent the bio-fouling of underwater structures and equipments. The flooding of the pump house subsequent to breach of temporary dyke is done

  18. Carbon dioxide emission drivers for a typical metropolis using input–output structural decomposition analysis

    International Nuclear Information System (INIS)

    Wang, Yafei; Zhao, Hongyan; Li, Liying; Liu, Zhu; Liang, Sai

    2013-01-01

    As the capital of China, Beijing is regarded as a major metropolis in the world. Study of the variation in temporal CO 2 emissions generated by the driving forces in Beijing can provide guidance for policy decisions on CO 2 emissions mitigation in global metropolises. Based on input–output structural decomposition analysis (IO-SDA), we analysed the driving forces for the increment in CO 2 emissions in Beijing from both production and final demand perspectives during 1997–2010. According to our results, the CO 2 emission growth in Beijing is driven mainly by production structure change and population growth, partly offset by CO 2 emission intensity reduction as well as the decline in per capita final demand volume during the study period. Final demand structure change has a limited effect on the change in the CO 2 emissions in Beijing. From the final demand perspective, urban trades, urban residential consumption, government consumption and fixed capital formation are mainly responsible for the booming emissions. This study showed how the “top-down” IO-SDA methodology was implemented on a city scale. Policy implications from this study would be helpful for addressing CO 2 emissions mitigation in global capital cities and metropolises. - Highlights: • Changes in production structure and population are drivers of CO 2 increment. • Changes in CO 2 intensity and per capita GDP are forces to offset CO 2 increment. • Final demand structure change has limited effect on Beijing's CO 2 emission change. • Beijing's key final demand categories and economic sectors are identified. • Policy implications of Beijing's results are analyzed

  19. Powder technology

    International Nuclear Information System (INIS)

    Agueda, Horacio

    1989-01-01

    Powder technology is experiencing nowadays a great development and has broad application in different fields: nuclear energy, medicine, new energy sources, industrial and home artifacts, etc. Ceramic materials are of daily use as tableware and also in the building industry (bricks, tiles, etc.). However, in machine construction its utilization is not so common. The same happens with metals: powder metallurgy is employed less than traditional metal forming techniques. Both cases deal with powder technology and the forming techniques as far as the final consolidation through sintering processes are very similar. There are many different methods and techniques in the forming stage: cold-pressing, slip casting, injection molding, extrusion molding, isostatic pressing, hot-pressing (which involves also the final consolidation step), etc. This variety allows to obtain almost any desired form no matter how complex it could be. Some applications are very specific as in the case of UO 2 pellets (used as nuclear fuels) but with the same technique and other materials, it is possible to manufacture a great number of different products. This work shows the characteristics and behaviour of two magnetic ceramic materials (ferrites) fabricated in the laboratory of the Applied Research Division of the Bariloche Atomic Center for different purposes. Other materials and products made with the same method are also mentioned. Likewise, densities and shrinkage obtained by different methods of forming (cold-pressing, injection molding, slip casting and extrusion molding) using high-purity alumina (99.5% Al 2 O 3 ). Finally, different applications of such methods are given. (Author) [es

  20. Structural study of CaMn_1_−_xMo_xO_3 (0.08 ≤ x ≤ 0.12) system by neutron powder diffraction

    International Nuclear Information System (INIS)

    Supelano, G.I.; Parra Vargas, C.A.; Barón-González, A.J.; Sarmiento Santos, A.; Frontera, C.

    2016-01-01

    Neutron powder diffraction experiments and magnetic measurements in polycrystalline CaMn_1_−_xMo_xO_3 (x = 0.08, 0.10, 0.12) point towards a possible charge and orbital order in this system. The analysis of structural and magnetic data show that the samples present structural phase transformation from Pnma to P2_1/m space group and the system has a C-type antiferromagnetic configuration at low temperature. A detailed analysis of the bond distances signals a small Jahn-Teller distortion of only one (x = 0.08) or of the two Mn ions (x = 0.10, 0.12). We identify the partially occupied e_g orbitals and this explains the C-type magnetic structure. - Highlights: • CaMn_1_−_xMo_xO_3 (x = 0.08, 0.10, 0.12) is investigated by neutron powder diffraction. • Analysis of individual Mn-O distances demonstrates the apparition of orbital order. • By symmetry analysis, we find that the low temperature magnetic structure is C-type. • Magnetic interactions foreseen by the orbital order explain the magnetic structure.

  1. Titanium dioxide fine structures by RF magnetron sputter method deposited on an electron-beam resist mask

    Science.gov (United States)

    Hashiba, Hideomi; Miyazaki, Yuta; Matsushita, Sachiko

    2013-09-01

    Titanium dioxide (TiO2) has been draw attention for wide range of applications from photonic crystals for visible light range by its catalytic characteristics to tera-hertz range by its high refractive index. We present an experimental study of fabrication of fine structures of TiO2 with a ZEP electron beam resist mask followed by Ti sputter deposition techniques. A TiO2 thin layer of 150 nm thick was grown on an FTO glass substrate with a fine patterned ZEP resist mask by a conventional RF magnetron sputter method with Ti target. The deposition was carried out with argon-oxygen gases at a pressure of 5.0 x 10 -1 Pa in a chamber. During the deposition, ratio of Ar-O2 gas was kept to the ratio of 2:1 and the deposition ratio was around 0.5 Å/s to ensure enough oxygen to form TiO2 and low temperature to avoid deformation of fine pattern of the ZPU resist mask. Deposited TiO2 layers are white-transparent, amorphous, and those roughnesses are around 7 nm. Fabricated TiO2 PCs have wider TiO2 slabs of 112 nm width leaving periodic 410 x 410 nm2 air gaps. We also studied transformation of TiO2 layers and TiO2 fine structures by baking at 500 °C. XRD measurement for TiO2 shows that the amorphous TiO2 transforms to rutile and anatase forms by the baking while keeping the same profile of the fine structures. Our fabrication method can be one of a promising technique to optic devices on researches and industrial area.

  2. Structural and optical properties of titanium dioxide films deposited by reactive magnetron sputtering in pure oxygen plasma

    International Nuclear Information System (INIS)

    Asanuma, T.; Matsutani, T.; Liu, C.; Mihara, T.; Kiuchi, M.

    2004-01-01

    Titanium dioxide (TiO 2 ) thin films were deposited on unheated quartz (SiO 2 ) substrates in 'pure oxygen' plasma by reactive radio-frequency (rf) magnetron sputtering. The structural and optical properties of deposited films were systematically studied by changing the deposition parameters, and it was very recently found that crystalline TiO 2 films grew effectively in pure O 2 atmosphere. For TiO 2 films deposited at a rf power P rf of 200 W, x-ray diffraction patterns show the following features: (a) no diffraction peak was observed at a total sputtering pressure p tot of 1.3 Pa; (b) rutile (110) diffraction was observed at 4.0 Pa, (c) the dominant diffraction was from anatase (101) planes, with additional diffraction from (200), under p tot between 6.7 and 13 Pa. For the deposition at 140 W, however, crystalline films with mixed phases were observed only between 4.0 and 6.7 Pa. The peaks of both the deposition rate and the anatase weight ratio for the films produced at 140 W were found at p tot of approximately 6.7 Pa. This suggests that the nucleation and growth of TiO 2 films were affected by the composition, density, and kinetic energy of the particles impinging on the substrate surface. The optical absorption edge analysis showed that the optical band gap E g and the constant B could sensitively detect the film growth behavior, and determine the film structure and optical absorption. The change in the shape of the fundamental absorption edge is considered to reflect the variation of density and the short-range structural modifications

  3. Irreversible Change of the Pore Structure of ZIF-8 in Carbon Dioxide Capture with Water Coexistence

    DEFF Research Database (Denmark)

    Liu, Huang; Guo, Ping; Regueira Muñiz, Teresa

    2016-01-01

    The performance of zeolitic imidazolate framework 8 (ZIF-8) for CO2 capture under three different conditions (wetted ZIF-8, ZIF-8/water slurry, and ZIF-8/water-glycol slurry) was systemically investigated. This investigation included the study of the pore structure stability of ZIF-8 by using X......-ray diffraction, scanning electron microscopy, Fourier transform infrared spectroscopy, and Raman detection technologies. Our results show that the CO2 adsorption ability of ZIF-8 could be substantially increased under the existence of liquid water. However, the structure characterization of the recovered ZIF-8...... showed an irreversible change of its framework, which occurs during the CO2 capture process. It was found that there is an irreversible chemical reaction among ZIF-8, water, and CO2, which creates both zinc carbonate (or zinc carbonate hydroxides) and single 2-methylimidazole crystals, and therefore...

  4. Defects and defect generation in oxide layer of ion implanted silicon-silicon dioxide structures

    CERN Document Server

    Baraban, A P

    2002-01-01

    One studies mechanism of generation of defects in Si-SiO sub 2 structure oxide layer as a result of implantation of argon ions with 130 keV energy and 10 sup 1 sup 3 - 3.2 x 10 sup 1 sup 7 cm sup - sup 2 doses. Si-SiO sub 2 structures are produced by thermal oxidation of silicon under 950 deg C temperature. Investigations were based on electroluminescence technique and on measuring of high-frequency volt-farad characteristics. Increase of implantation dose was determined to result in spreading of luminosity centres and in its maximum shifting closer to boundary with silicon. Ion implantation was shown, as well, to result in increase of density of surface states at Si-SiO sub 2 interface. One proposed model of defect generation resulting from Ar ion implantation into Si-SiO sub 2

  5. Structural, electronic, and thermodynamic properties of curium dioxide: Density functional theory calculations

    Science.gov (United States)

    Hou, Ling; Li, Wei-Dong; Wang, Fangwei; Eriksson, Olle; Wang, Bao-Tian

    2017-12-01

    We present a systematic investigation of the structural, magnetic, electronic, mechanical, and thermodynamic properties of CmO2 with the local density approximation (LDA)+U and the generalized gradient approximation (GGA)+U approaches. The strong Coulomb repulsion and the spin-orbit coupling (SOC) effects on the lattice structures, electronic density of states, and band gaps are carefully studied, and compared with other A O2 (A =U , Np, Pu, and Am). The ferromagnetic configuration with half-metallic character is predicted to be energetically stable while a charge-transfer semiconductor is predicted for the antiferromagnetic configuration. The elastic constants and phonon spectra show that the fluorite structure is mechanically and dynamically stable. Based on the first-principles phonon density of states, the lattice vibrational energy is calculated using the quasiharmonic approximation. Then, the Gibbs free energy, thermal expansion coefficient, specific heat, and entropy are obtained and compared with experimental data. The mode Grüneisen parameters are presented to analyze the anharmonic properties. The Slack relation is applied to obtain the lattice thermal conductivity in temperature range of 300-1600 K. The phonon group velocities are also calculated to investigate the heat transfer. For all these properties, if available, we compare the results of CmO2 with other A O2 .

  6. Structural and optical properties of 70-keV carbon ion beam synthesized carbon nanoclusters in thermally grown silicon dioxide

    International Nuclear Information System (INIS)

    Poudel, P.R.; Poudel, P.P.; Paramo, J.A.; Strzhemechny, Y.M.; Rout, B.; McDaniel, F.D.

    2015-01-01

    The structural and optical properties of carbon nanoclusters formed in thermally grown silicon dioxide film via the ion beam synthesis process have been investigated. A low-energy (70 keV) carbon ion beam (C - ) at a fluence of 3 x 10 17 atoms/cm 2 was used for implantation into a thermally grown silicon dioxide layer (500 nm thick) on a Si (100) wafer. Several parts of the implanted samples were subsequently annealed in a gas mixture (4 % H 2 + 96 % Ar) at 900 C for different time periods. The as-implanted and annealed samples were characterized by X-ray photoelectron spectroscopy (XPS), Fourier transform infrared spectroscopy, Raman spectroscopy, transmission electron microscopy (TEM), and photoluminescence spectroscopy (PL). The carbon ion implantation depth profile was simulated using a widely used Monte Carlo-based simulation code SRIM-2012. Additionally, the elemental depth profile of the implanted carbon along with host elements of silicon and oxygen were simulated using a dynamic ion-solid interaction code T-DYN, which incorporates the effects of the surface sputtering and gradual change in the elemental composition in the implanted layers due to high-fluence ion implantation. The elemental depth profile obtained from the XPS measurements matches closely to the T-DYN predictions. Raman measurements indicate the formation of graphitic phases in the annealed samples. The graphitic peak (G-peak) was found to be increased with the annealing time duration. In the sample annealed for 10 min, the sizes of the carbon nanoclusters were found to be 1-4 nm in diameter using TEM. The PL measurements at room temperature using a 325-nm laser show broad-band emissions in the ultraviolet to visible range in the as-implanted sample. Intense narrow bands along with the broad bands were observed in the annealed samples. The defects present in the as-grown samples along with carbon ion-induced defect centers in the as-implanted samples are the main contributors to the observed

  7. Structural and optical properties of 70-keV carbon ion beam synthesized carbon nanoclusters in thermally grown silicon dioxide

    Energy Technology Data Exchange (ETDEWEB)

    Poudel, P.R. [University of North Texas, Ion Beam Modification and Analysis Laboratory, Department of Physics, Denton, TX (United States); Intel Corporation, Rio Rancho, NM (United States); Poudel, P.P. [University of Kentucky, Department of Chemistry, Lexington, KY (United States); Paramo, J.A.; Strzhemechny, Y.M. [Texas Christian University, Department of Physics and Astronomy, Fort Worth, TX (United States); Rout, B. [University of North Texas, Ion Beam Modification and Analysis Laboratory, Department of Physics, Denton, TX (United States); University of North Texas, Center for Advanced Research and Technology, Denton, TX (United States); McDaniel, F.D. [University of North Texas, Ion Beam Modification and Analysis Laboratory, Department of Physics, Denton, TX (United States)

    2014-09-18

    The structural and optical properties of carbon nanoclusters formed in thermally grown silicon dioxide film via the ion beam synthesis process have been investigated. A low-energy (70 keV) carbon ion beam (C{sup -}) at a fluence of 3 x 10{sup 17} atoms/cm{sup 2} was used for implantation into a thermally grown silicon dioxide layer (500 nm thick) on a Si (100) wafer. Several parts of the implanted samples were subsequently annealed in a gas mixture (4 % H{sub 2} + 96 % Ar) at 900 C for different time periods. The as-implanted and annealed samples were characterized by X-ray photoelectron spectroscopy (XPS), Fourier transform infrared spectroscopy, Raman spectroscopy, transmission electron microscopy (TEM), and photoluminescence spectroscopy (PL). The carbon ion implantation depth profile was simulated using a widely used Monte Carlo-based simulation code SRIM-2012. Additionally, the elemental depth profile of the implanted carbon along with host elements of silicon and oxygen were simulated using a dynamic ion-solid interaction code T-DYN, which incorporates the effects of the surface sputtering and gradual change in the elemental composition in the implanted layers due to high-fluence ion implantation. The elemental depth profile obtained from the XPS measurements matches closely to the T-DYN predictions. Raman measurements indicate the formation of graphitic phases in the annealed samples. The graphitic peak (G-peak) was found to be increased with the annealing time duration. In the sample annealed for 10 min, the sizes of the carbon nanoclusters were found to be 1-4 nm in diameter using TEM. The PL measurements at room temperature using a 325-nm laser show broad-band emissions in the ultraviolet to visible range in the as-implanted sample. Intense narrow bands along with the broad bands were observed in the annealed samples. The defects present in the as-grown samples along with carbon ion-induced defect centers in the as-implanted samples are the main

  8. Self-powdering and nonlinear optical domain structures in ferroelastic β'-Gd2(MoO4)3 crystals formed in glass

    International Nuclear Information System (INIS)

    Tsukada, Y.; Honma, T.; Komatsu, T.

    2009-01-01

    Ferroelastic β'-Gd 2 (MoO 4 ) 3 , (GMO), crystals are formed through the crystallization of 21.25Gd 2 O 3 -63.75MoO 3 -15B 2 O 3 glass (mol%), and two scientific curious phenomena are observed. (1) GMO crystals formed in the crystallization break into small pieces with a triangular prism or pyramid shape having a length of 50-500 μm spontaneously during the crystallizations in the inside of an electric furnace, not during the cooling in air after the crystallization. This phenomenon is called 'self-powdering phenomenon during crystallization' in this paper. (2) Each self-powdered GMO crystal grain shows a periodic domain structure with different refractive indices, and a spatially periodic second harmonic generation (SHG) depending on the domain structure is observed. It is proposed from polarized micro-Raman scattering spectra and the azimuthal dependence of second harmonic intensities that GMO crystals are oriented in each crystal grain and the orientation of (MoO 4 ) 2- tetrahedra in GMO crystals changes periodically due to spontaneous strains in ferroelastic GMO crystals. - Graphical abstract: This figure shows the polarized optical photograph at room temperature for a particle (piece) obtained by a heat treatment of the glass at 590 deg. C for 2 h in an electric furnace in air. This particle was obtained through the self-powdering behavior in the crystallization of glass. The periodic domain structure is observed. Ferroelastic β'-Gd 2 (MoO 4 ) 3 crystals are formed in the particle, and second harmonic generations are detected, depending on the domain structure.

  9. Stainless steel coatings produced through atmospheric plasma spraying study of in flight powder behavior and coating structure

    International Nuclear Information System (INIS)

    Denoirjean, A.; Denoirjean, P.; Fauchais, P.; Labbe, J.C.; Khan, A.A.

    2005-01-01

    The Stainless Steel coatings deposited through Atmospheric Plasma Spraying over mild steel surface present an interest from commercial point of view, especially for the applications where corrosion resistance or inertness towards severe environment is required. Atmospheric Plasma Spraying is fast and relatively less expensive choice as compared to Vacuum Plasma Spraying, the only limitation being the extremely reactive nature of metallic powders used. A study of the behaviour of metallic powders within an Atmospheric Plasma Jet is presented in view of better understanding and eventual improvement in coating properties. Metallic powder particles show very interesting features when individual particles are collected after passing them through a DC Blown Arc Thermal Plasma Jet under Atmospheric Pressure. The spraying was carried out under air which makes the significance of these results even more interesting from the industrial point of view. Proper control of Spraying Parameters can help produce Stainless Steel coatings of reasonably low porosity and a typical lamellar microstructure. The results of SEM, AFM and XRD are discussed. A strange oxidation phenomenon under highly non equilibrium conditions is observed. (author)

  10. Community structure and soil pH determine chemoautotrophic carbon dioxide fixation in drained paddy soils.

    Science.gov (United States)

    Long, Xi-En; Yao, Huaiying; Wang, Juan; Huang, Ying; Singh, Brajesh K; Zhu, Yong-Guan

    2015-06-16

    Previous studies suggested that microbial photosynthesis plays a potential role in paddy fields, but little is known about chemoautotrophic carbon fixers in drained paddy soils. We conducted a microcosm study using soil samples from five paddy fields to determine the environmental factors and quantify key functional microbial taxa involved in chemoautotrophic carbon fixation. We used stable isotope probing in combination with phospholipid fatty acid (PLFA) and molecular approaches. The amount of microbial (13)CO2 fixation was determined by quantification of (13)C-enriched fatty acid methyl esters and ranged from 21.28 to 72.48 ng of (13)C (g of dry soil)(-1), and the corresponding ratio (labeled PLFA-C:total PLFA-C) ranged from 0.06 to 0.49%. The amount of incorporationof (13)CO2 into PLFAs significantly increased with soil pH except at pH 7.8. PLFA and high-throughput sequencing results indicated a dominant role of Gram-negative bacteria or proteobacteria in (13)CO2 fixation. Correlation analysis indicated a significant association between microbial community structure and carbon fixation. We provide direct evidence of chemoautotrophic C fixation in soils with statistical evidence of microbial community structure regulation of inorganic carbon fixation in the paddy soil ecosystem.

  11. Structural transition induced by charge-transfer in RbMn[Fe(CN) sub 6]. Investigation by synchrotron-radiation X-ray powder analysis

    CERN Document Server

    Moritomo, Y; Sakata, M; Kato, K; Kuriki, A; Tokoro, H; Ohkoshi, S I; Hashimoto, K

    2002-01-01

    Temperature dependence of atomic coordinates is determined for RbMn[Fe(CN) sub 6] by means of synchrotron-radiation (SR) X-ray powder structural analysis. We observed a structural transition from the cubic (F4-bar3m; Z=4) to the tetragonal (I4-barm2; Z=2) phase at approx. =210K in the cooling run and at approx. =300K in the warming run. In the low-temperature tetragonal phase, we found Jahn-Tellar type distortion of the MnN sub 6 octahedra and compression of the averaged Fe-C bond distance. These structural data suggest that the structural transition is triggered by the inter-metallic charge-transfer from the Mn(II) site to the Fe(III) site.

  12. Production of uranium dioxide

    International Nuclear Information System (INIS)

    Hart, J.E.; Shuck, D.L.; Lyon, W.L.

    1977-01-01

    A continuous, four stage fluidized bed process for converting uranium hexafluoride (UF 6 ) to ceramic-grade uranium dioxide (UO 2 ) powder suitable for use in the manufacture of fuel pellets for nuclear reactors is disclosed. The process comprises the steps of first reacting UF 6 with steam in a first fluidized bed, preferably at about 550 0 C, to form solid intermediate reaction products UO 2 F 2 , U 3 O 8 and an off-gas including hydrogen fluoride (HF). The solid intermediate reaction products are conveyed to a second fluidized bed reactor at which the mol fraction of HF is controlled at low levels in order to prevent the formation of uranium tetrafluoride (UF 4 ). The first intermediate reaction products are reacted in the second fluidized bed with steam and hydrogen at a temperature of about 630 0 C. The second intermediate reaction product including uranium dioxide (UO 2 ) is conveyed to a third fluidized bed reactor and reacted with additional steam and hydrogen at a temperature of about 650 0 C producing a reaction product consisting essentially of uranium dioxide having an oxygen-uranium ratio of about 2 and a low residual fluoride content. This product is then conveyed to a fourth fluidized bed wherein a mixture of air and preheated nitrogen is introduced in order to further reduce the fluoride content of the UO 2 and increase the oxygen-uranium ratio to about 2.25

  13. Surface structured platinum electrodes for the electrochemical reduction of carbon dioxide in imidazolium based ionic liquids.

    Science.gov (United States)

    Hanc-Scherer, Florin A; Montiel, Miguel A; Montiel, Vicente; Herrero, Enrique; Sánchez-Sánchez, Carlos M

    2015-10-07

    The direct CO2 electrochemical reduction on model platinum single crystal electrodes Pt(hkl) is studied in [C2mim(+)][NTf2(-)], a suitable room temperature ionic liquid (RTIL) medium due to its moderate viscosity, high CO2 solubility and conductivity. Single crystal electrodes represent the most convenient type of surface structured electrodes for studying the impact of RTIL ion adsorption on relevant electrocatalytic reactions, such as surface sensitive electrochemical CO2 reduction. We propose here based on cyclic voltammetry and in situ electrolysis measurements, for the first time, the formation of a stable adduct [C2mimH-CO2(-)] by a radical-radical coupling after the simultaneous reduction of CO2 and [C2mim(+)]. It means between the CO2 radical anion and the radical formed from the reduction of the cation [C2mim(+)] before forming the corresponding electrogenerated carbene. This is confirmed by the voltammetric study of a model imidazolium-2-carboxylate compound formed following the carbene pathway. The formation of that stable adduct [C2mimH-CO2(-)] blocks CO2 reduction after a single electron transfer and inhibits CO2 and imidazolium dimerization reactions. However, the electrochemical reduction of CO2 under those conditions provokes the electrochemical cathodic degradation of the imidazolium based RTIL. This important limitation in CO2 recycling by direct electrochemical reduction is overcome by adding a strong acid, [H(+)][NTf2(-)], into solution. Then, protons become preferentially adsorbed on the electrode surface by displacing the imidazolium cations and inhibiting their electrochemical reduction. This fact allows the surface sensitive electro-synthesis of HCOOH from CO2 reduction in [C2mim(+)][NTf2(-)], with Pt(110) being the most active electrode studied.

  14. Crystal structures of eight mono-methyl alkanes (C26–C32 via single-crystal and powder diffraction and DFT-D optimization

    Directory of Open Access Journals (Sweden)

    Lee Brooks

    2015-09-01

    Full Text Available The crystal structures of eight mono-methyl alkanes have been determined from single-crystal or high-resolution powder X-ray diffraction using synchrotron radiation. Mono-methyl alkanes can be found on the cuticles of insects and are believed to act as recognition pheromones in some social species, e.g. ants, wasps etc. The molecules were synthesized as pure S enantiomers and are (S-9-methylpentacosane, C26H54; (S-9-methylheptacosane and (S-11-methylheptacosane, C28H58; (S-7-methylnonacosane, (S-9-methylnonacosane, (S-11-methylnonacosane and (S-13-methylnonacosane, C30H62; and (S-9-methylhentriacontane, C32H66. All crystallize in space group P21. Depending on the position of the methyl group on the carbon chain, two packing schemes are observed, in which the molecules pack together hexagonally as linear rods with terminal and side methyl groups clustering to form distinct motifs. Carbon-chain torsion angles deviate by less than 10° from the fully extended conformation, but with one packing form showing greater curvature than the other near the position of the methyl side group. The crystal structures are optimized by dispersion-corrected DFT calculations, because of the difficulties in refining accurate structural parameters from powder diffraction data from relatively poorly crystalline materials.

  15. Structure determination of β- and γ-BaAlF 5 by X-ray and neutron powder diffraction: A model for the α → β γ transitions

    Science.gov (United States)

    Le Bail, Armel; Ferey, Gérard; Mercier, Anne-Marie; De Kozak, Ariel; Samouél, Maurice

    1990-12-01

    β-BaAlF 5 is monoclinic (space group {P2 1}/{n}): a = 5.1517(1), Å, b = 19.5666(4), Å, c = 7.5567(2), Å, β = 92.426(1)°, Z = 8. γ-BaAlF 5 is monoclinic (space group P2 1): a = 5.2584(1), Å, b = 9.7298(2), Å, c = 7.3701(2), Å, β = 90.875(1)°, Z = 4. Both structures are determined ab initio from X-ray powder data; final results are given from neutron powder data refinements ( RI = 0.038, RP = 0.072, and RWP = 0.087 and RI = 0.048, RP = 0.083, and RWP = 0.101 for the β and γ phases, respectively). Like α-BaAlF 5, the β and γ phases are built up from isolated infinite (AlF 5) 2 n- n chains with AlF 6 octahedra sharing corners in a cis-position. Close structural relationships are shown to exist between the BaAl cationic subnetwork of: α-BaAlF 5 and the CrB-type structure; β-BaAlF 5 and the SrAg-type; γ-BaAlF 5 and the FeB-type. The polymorphic transitions are proposed to be topotactic and a displacive mechanism is suggested.

  16. Combined Approach for the Structural Characterization of Alkali Fluoroscandates: Solid-State NMR, Powder X-ray Diffraction, and Density Functional Theory Calculations.

    Science.gov (United States)

    Rakhmatullin, Aydar; Polovov, Ilya B; Maltsev, Dmitry; Allix, Mathieu; Volkovich, Vladimir; Chukin, Andrey V; Boča, Miroslav; Bessada, Catherine

    2018-02-05

    The structures of several fluoroscandate compounds are presented here using a characterization approach combining powder X-ray diffraction and solid-state NMR. The structure of K 5 Sc 3 F 14 was fully determined from Rietveld refinement performed on powder X-ray diffraction data. Moreover, the local structures of NaScF 4 , Li 3 ScF 6 , KSc 2 F 7 , and Na 3 ScF 6 compounds were studied in detail from solid-state 19 F and 45 Sc NMR experiments. The 45 Sc chemical shift ranges for six- and seven-coordinated scandium environments were defined. The 19 F chemical shift ranges for bridging and terminal fluorine atoms were also determined. First-principles calculations of the 19 F and 45 Sc NMR parameters were carried out using plane-wave basis sets and periodic boundary conditions (CASTEP), and the results were compared with the experimental data. A good agreement between the calculated shielding constants and experimental chemical shifts was obtained. This demonstrates the good potential of computational methods in spectroscopic assignments of solid-state 45 Sc NMR spectroscopy.

  17. Raman and IR spectroscopic structural characterization of LiAlO2 powders prepared using a liquid mix technique

    International Nuclear Information System (INIS)

    Cornilsen, B.C.; Loyselle, P.L.; Saporta, J.D.

    1990-01-01

    γ-LiAlO 2 and β-LiAlO 2 have been characterized using Raman and infrared spectroscopy. Powders have been prepared using two different preparation techniques: a solution method known as the liquid mix technique (LMT) and the traditional ceramic method. The authors find that the LMT allows direct production of single phase γ-LiAlO 2 at 600 degrees C, below that found using other preparation methods. Furthermore, this solution technique appears to avoid formation of the β-LiAlO 2 intermediate phase. At lower temperatures, the LMT product is a disordered precursor of γ- LiAlO 2

  18. CoFe2O4 nanocrystalline powders prepared by citrate-gel methods: Synthesis, structure and magnetic properties

    International Nuclear Information System (INIS)

    Cannas, C.; Falqui, A.; Musinu, A.; Peddis, D.; Piccaluga, G.

    2006-01-01

    Nanocrystalline CoFe 2 O 4 powders were prepared by decomposition of metal ion citrate precursors. Four samples were synthesized from precursor solutions having different pH values in the range 2 physisorption and Transmission Electron Microscopy. Magnetic properties were explored by a SQUID magnetometer. Three out of the four samples, coming from solutions of pH 2, 4 and 7, were produced by an autocombustion reaction and are very similar as regards average size of the nanoparticles (about 20 nm), their morphology and the magnetic properties, while the fourth sample was produced by a slower thermal decomposition and is composed of smaller nanoparticles (about 10 nm)

  19. Validation of missed space-group symmetry in X-ray powder diffraction structures with dispersion-corrected density functional theory.

    Science.gov (United States)

    Hempler, Daniela; Schmidt, Martin U; van de Streek, Jacco

    2017-08-01

    More than 600 molecular crystal structures with correct, incorrect and uncertain space-group symmetry were energy-minimized with dispersion-corrected density functional theory (DFT-D, PBE-D3). For the purpose of determining the correct space-group symmetry the required tolerance on the atomic coordinates of all non-H atoms is established to be 0.2 Å. For 98.5% of 200 molecular crystal structures published with missed symmetry, the correct space group is identified; there are no false positives. Very small, very symmetrical molecules can end up in artificially high space groups upon energy minimization, although this is easily detected through visual inspection. If the space group of a crystal structure determined from powder diffraction data is ambiguous, energy minimization with DFT-D provides a fast and reliable method to select the correct space group.

  20. Effects of Alloying Elements on the Formation of Core-Shell-Structured Reinforcing Particles during Heating of Al–Ti Powder Compacts

    Science.gov (United States)

    Chen, Tijun; Gao, Min; Tong, Yunqi

    2018-01-01

    To prepare core-shell-structured Ti@compound particle (Ti@compoundp) reinforced Al matrix composite via powder thixoforming, the effects of alloying elements, such as Si, Cu, Mg, and Zn, on the reaction between Ti powders and Al melt, and the microstructure of the resulting reinforcements were investigated during heating of powder compacts at 993 K (720 °C). Simultaneously, the situations of the reinforcing particles in the corresponding semisolid compacts were also studied. Both thermodynamic analysis and experiment results all indicate that Si participated in the reaction and promoted the formation of Al–Ti–Si ternary compounds, while Cu, Mg, and Zn did not take part in the reaction and facilitated Al3Ti phase to form to different degrees. The first-formed Al–Ti–Si ternary compound was τ1 phase, and then it gradually transformed into (Al,Si)3Ti phase. The proportion and existing time of τ1 phase all increased as the Si content increased. In contrast, Mg had the largest, Cu had the least, and Si and Zn had an equivalent middle effect on accelerating the reaction. The thicker the reaction shell was, the larger the stress generated in the shell was, and thus the looser the shell microstructure was. The stress generated in (Al,Si)3Ti phase was larger than that in τ1 phase, but smaller than that in Al3Ti phase. So, the shells in the Al–Ti–Si system were more compact than those in the other systems, and Si element was beneficial to obtain thick and compact compound shells. Most of the above results were consistent to those in the semisolid state ones except the product phase constituents in the Al–Ti–Mg system and the reaction rate in the Al–Ti–Zn system. More importantly, the desirable core-shell structured Ti@compoundp was only achieved in the semisolid Al–Ti–Si system. PMID:29342946

  1. Effects of Alloying Elements on the Formation of Core-Shell-Structured Reinforcing Particles during Heating of Al-Ti Powder Compacts.

    Science.gov (United States)

    Chen, Tijun; Gao, Min; Tong, Yunqi

    2018-01-15

    To prepare core-shell-structured Ti@compound particle (Ti@compound p ) reinforced Al matrix composite via powder thixoforming, the effects of alloying elements, such as Si, Cu, Mg, and Zn, on the reaction between Ti powders and Al melt, and the microstructure of the resulting reinforcements were investigated during heating of powder compacts at 993 K (720 °C). Simultaneously, the situations of the reinforcing particles in the corresponding semisolid compacts were also studied. Both thermodynamic analysis and experiment results all indicate that Si participated in the reaction and promoted the formation of Al-Ti-Si ternary compounds, while Cu, Mg, and Zn did not take part in the reaction and facilitated Al₃Ti phase to form to different degrees. The first-formed Al-Ti-Si ternary compound was τ1 phase, and then it gradually transformed into (Al,Si)₃Ti phase. The proportion and existing time of τ1 phase all increased as the Si content increased. In contrast, Mg had the largest, Cu had the least, and Si and Zn had an equivalent middle effect on accelerating the reaction. The thicker the reaction shell was, the larger the stress generated in the shell was, and thus the looser the shell microstructure was. The stress generated in (Al,Si)₃Ti phase was larger than that in τ1 phase, but smaller than that in Al₃Ti phase. So, the shells in the Al-Ti-Si system were more compact than those in the other systems, and Si element was beneficial to obtain thick and compact compound shells. Most of the above results were consistent to those in the semisolid state ones except the product phase constituents in the Al-Ti-Mg system and the reaction rate in the Al-Ti-Zn system. More importantly, the desirable core-shell structured Ti@compound p was only achieved in the semisolid Al-Ti-Si system.

  2. Influence of annealing temperature on structural and optical properties of SiO{sub 2}:RE{sub 2}O{sub 3} [RE = Y, Gd] powder

    Energy Technology Data Exchange (ETDEWEB)

    Ahlawat, Rachna, E-mail: rachnaahlawat2003@yahoo.com

    2015-07-25

    Highlights: • Sol–gel process is used to obtain spherical nanocrystallites of SiO{sub 2}:RE{sub 2}O{sub 3} [RE = Y, Gd] powder. • Effect of four steps annealing is studied on micro strain, nanocrystallite size and dislocation density. • Optical properties are examined by absorption spectra and PL. • SiO{sub 2}:RE{sub 2}O{sub 3} [RE = Y, Gd] binary oxides are promising materials for high temperature structural applications. - Abstract: SiO{sub 2}:RE{sub 2}O{sub 3} [RE = Y, Gd] powder were prepared by wet chemical technique and the prepared binary oxides annealed at 500 °C and 900 °C. The crystalline structure, phase transformation, and surface morphologies of as-prepared and annealed samples were investigated by XRD and TEM. The normal transmission was measured using FTIR spectroscopy. Optical properties have been studied with UV–Vis spectroscopy and PL study. XRD results shows that the as prepared samples of SiO{sub 2}:RE{sub 2}O{sub 3} [RE = Y, Gd] powder has mixed phases of RE(NO{sub 3}){sub 3} and Si(OH){sub 3}. However, cubic rare earth oxide phase alone is found for annealed samples. The strain values are calculated from W–H plot for annealed samples. TEM micrograph shows that the samples are composed of individual spherical nanocrystallites at 500 °C and aggregated nanocrystallites at 900 °C. From the UV–Vis spectra, it is found that the position of the absorption peak is shifted toward the higher wavelength side when annealing temperature is increased. In the PL spectra, the broad emission bands are observed between 570–600 nm and the presence of O–Si–O (silica) and metal oxide is confirmed by FTIR spectra.

  3. Effect of cetyl trimethyl ammonium bromide concentration on structure, morphology and carbon dioxide adsorption capacity of calcium hydroxide based sorbents

    International Nuclear Information System (INIS)

    Hlaing, Nwe Ni; Vignesh, K.; Sreekantan, Srimala; Pung, Swee-Yong; Hinode, Hirofumi; Kurniawan, Winarto; Othman, Radzali; Thant, Aye Aye; Mohamed, Abdul Rahman; Salim, Chris

    2016-01-01

    Graphical abstract: Carbonation conversions of (a) CC, (b) CH-2, (c) CH-4, (d) CH-6, (e) CH-8 precursor adsorbents for 10 cycles. - Highlights: • Ca(OH)_2 precursor was synthesized using precipitation method. • The effect of CTAB concentration on the synthesis of Ca(OH)_2 was studied. • The sorbent synthesized using 0.8 M of CTAB showed good CO_2 adsorption capacity. • The cyclic stability of Ca(OH)_2 was increased with increase of CTAB concentration. - Abstract: Calcium hydroxide (Ca(OH)_2) has been proposed as an important material for industrial, architectural, and environmental applications. In this study, calcium acetate was used as a precursor and cetyl trimethyl ammonium bromide (CTAB) was used as a surfactant to synthesize Ca(OH)_2 based adsorbents for carbon dioxide (CO_2) capture. The effect of CTAB concentration (0.2–0.8 M) on the structure, morphology and CO_2 adsorption performance of Ca(OH)_2 was studied in detail. The synthesized samples were characterized by X-ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy, field emission scanning electron microscopy (FESEM), BET surfaced area and thermogravimetry-differential thermal analysis (TG–DTA) techniques. The phase purity, crystallite size, Brunauer–Emmett–Teller (BET) surface area and CO_2 adsorption performance of Ca(OH)_2 precursor adsorbents were significantly increased when the concentration of CTAB was increased. XRD results showed that pure Ca(OH)_2 phase was obtained at the CTAB concentration of 0.8 M. TGA results exhibited that 0.8 M of CTAB-assisted Ca(OH)_2 precursor adsorbent possessed a residual carbonation conversion of ∼56% after 10 cycles.

  4. Effect of cetyl trimethyl ammonium bromide concentration on structure, morphology and carbon dioxide adsorption capacity of calcium hydroxide based sorbents

    Energy Technology Data Exchange (ETDEWEB)

    Hlaing, Nwe Ni, E-mail: nwenihlaing76@gmail.com [School of Materials and Mineral Resources Engineering, Engineering Campus, Universiti Sains Malaysia, 14300 Nibong Tebal, Penang (Malaysia); Department of International Development Engineering, Tokyo Institute of Technology, 2-12-1 Ookayama, Meguro-ku, Tokyo (Japan); Department of Physics, University of Yangon, 11041 Kamayut, Yangon (Myanmar); Vignesh, K., E-mail: vignesh134@gmail.com [School of Materials and Mineral Resources Engineering, Engineering Campus, Universiti Sains Malaysia, 14300 Nibong Tebal, Penang (Malaysia); Anano Sphere Sdn Bhd, Lorong Industri 11, Kawasan Industri Bukit Panchor, 14300 Nibong Tebal, Penang (Malaysia); Sreekantan, Srimala, E-mail: srimala@usm.my [School of Materials and Mineral Resources Engineering, Engineering Campus, Universiti Sains Malaysia, 14300 Nibong Tebal, Penang (Malaysia); Pung, Swee-Yong [School of Materials and Mineral Resources Engineering, Engineering Campus, Universiti Sains Malaysia, 14300 Nibong Tebal, Penang (Malaysia); Hinode, Hirofumi; Kurniawan, Winarto [Department of International Development Engineering, Tokyo Institute of Technology, 2-12-1 Ookayama, Meguro-ku, Tokyo (Japan); Othman, Radzali [Faculty of Manufacturing Engineering, Universiti Teknikal Malaysia Melaka, Hang Tuah Jaya, 76100 Durian Tunggal, Malacca (Malaysia); Thant, Aye Aye [Department of Physics, University of Yangon, 11041 Kamayut, Yangon (Myanmar); Mohamed, Abdul Rahman [Low Carbon Economy (LCE) Research Group, School of Chemical Engineering, Engineering Campus, Universiti Sains Malaysia, 14300 Nibong Tebal, Penang (Malaysia); Salim, Chris [Department of Environmental Engineering, Surya University, Tangerang 15810, Banten (Indonesia)

    2016-02-15

    Graphical abstract: Carbonation conversions of (a) CC, (b) CH-2, (c) CH-4, (d) CH-6, (e) CH-8 precursor adsorbents for 10 cycles. - Highlights: • Ca(OH){sub 2} precursor was synthesized using precipitation method. • The effect of CTAB concentration on the synthesis of Ca(OH){sub 2} was studied. • The sorbent synthesized using 0.8 M of CTAB showed good CO{sub 2} adsorption capacity. • The cyclic stability of Ca(OH){sub 2} was increased with increase of CTAB concentration. - Abstract: Calcium hydroxide (Ca(OH){sub 2}) has been proposed as an important material for industrial, architectural, and environmental applications. In this study, calcium acetate was used as a precursor and cetyl trimethyl ammonium bromide (CTAB) was used as a surfactant to synthesize Ca(OH){sub 2} based adsorbents for carbon dioxide (CO{sub 2}) capture. The effect of CTAB concentration (0.2–0.8 M) on the structure, morphology and CO{sub 2} adsorption performance of Ca(OH){sub 2} was studied in detail. The synthesized samples were characterized by X-ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy, field emission scanning electron microscopy (FESEM), BET surfaced area and thermogravimetry-differential thermal analysis (TG–DTA) techniques. The phase purity, crystallite size, Brunauer–Emmett–Teller (BET) surface area and CO{sub 2} adsorption performance of Ca(OH){sub 2} precursor adsorbents were significantly increased when the concentration of CTAB was increased. XRD results showed that pure Ca(OH){sub 2} phase was obtained at the CTAB concentration of 0.8 M. TGA results exhibited that 0.8 M of CTAB-assisted Ca(OH){sub 2} precursor adsorbent possessed a residual carbonation conversion of ∼56% after 10 cycles.

  5. Oxidation of fluoroquinolone antibiotics and structurally related amines by chlorine dioxide: Reaction kinetics, product and pathway evaluation.

    Science.gov (United States)

    Wang, Pei; He, Yi-Liang; Huang, Ching-Hua

    2010-12-01

    Fluoroquinolones (FQs) are a group of widely prescribed antibiotics and have been frequently detected in the aquatic environment. The reaction kinetics and transformation of seven FQs (ciprofloxacin (CIP), enrofloxacin (ENR), norfloxacin (NOR), ofloxacin (OFL), lomefloxacin (LOM), pipemidic acid (PIP) and flumequine (FLU)) and three structurally related amines (1-phenylpiperazine (PP), N-phenylmorpholine (PM) and 4-phenylpiperidine (PD)) toward chlorine dioxide (ClO(2)) were investigated to elucidate the behavior of FQs during ClO(2) disinfection processes. The reaction kinetics are highly pH-dependent, can be well described by a second-order kinetic model incorporating speciation of FQs, and follow the trend of OFL > ENR > CIP ∼ NOR ∼ LOM > > PIP in reactivity. Comparison among FQs and related amines and product characterization indicate that FQs' piperazine ring is the primary reactive center toward ClO(2). ClO(2) likely attacks FQ's piperazinyl N4 atom followed by concerted fragmentation involving piperazinyl N1 atom, leading to dealkylation, hydroxylation and intramolecular ring closure at the piperazine moiety. While FQs with tertiary N4 react faster with ClO(2) than FQs with secondary N4, the overall reactivity of the piperazine moiety also depends strongly on the quinolone ring through electronic effects. The reaction rate constants obtained in clean water matrix can be used to model the decay of CIP by ClO(2) in surface water samples, but overestimate the decay in wastewater samples. Overall, transformation of FQs, particularly for those with tertiary N4 amines, could be expected under typical ClO(2) disinfection conditions. However, the transformation may not eliminate antibacterial activity because of little destruction at the quinolone ring. Copyright © 2010 Elsevier Ltd. All rights reserved.

  6. Fabrication of Cu-Ag core-shell bimetallic superfine powders by eco-friendly reagents and structures characterization

    Science.gov (United States)

    Zhao, Jun; Zhang, Dongming; Zhao, Jie

    2011-09-01

    Superfine bimetallic Cu-Ag core-shell powders were synthesized by reduction of copper sulfate pentahydrate and silver nitrate with eco-friendly ascorbic acid as a reducing agent and cyclodextrins as a protective agent in an aqueous system. The influence of Ag/Cu ratio on coatings was investigated. Ag was homogeneously distributed on the surface of Cu particles at a mole ratio of Ag/Cu=1. FE-SEM showed an uniformity of Ag coatings on Cu particles. Antioxidation of Cu particles was improved by increasing Ag/Cu ratio. TEM-EDX and UV-vis spectra also revealed that Cu cores were covered by Ag nanoshells on the whole. The surface composition analysis by XPS indicated that only small parts of Cu atoms in the surface were oxidized. It was noted that the hindrance of cyclodextrins chemisorbed on particles plays an important role in forming high quality and good dispersity Cu-Ag (Cu@Ag) core-shell powders.

  7. Conversion of metal plutonium to plutonium dioxide by pyrochemical method

    Energy Technology Data Exchange (ETDEWEB)

    Panov, A.V.; Subbotin, V.G. [Russian Federal Nuclear Center, ALL-Russian Science and Research Institute of Technical Physics, Snezhinsk (Russian Federation); Mashirev, V.P. [ALL-Russian Science and Research Institute of Chemical Technology, Moscow (Russian Federation)

    2000-07-01

    Report contains experimental results on metal plutonium of weapon origin samples conversion to plutonium dioxide by pyrochemical method. Circuits of processes are described. Their advantages and shortcomings are shown. Parameters of plutonium dioxide powders (phase and fraction compositions, poured density) manufactured by pyrochemical method in RFNC-VNIITF are shown as well. (authors)

  8. Structural in situ study of the thermal behavior of manganese dioxide materials: toward selected electrode materials for supercapacitors.

    Science.gov (United States)

    Ghodbane, Ouassim; Pascal, Jean-Louis; Fraisse, Bernard; Favier, Frédéric

    2010-12-01

    The thermal behavior of a series of MnO2 materials was investigated toward MnO2 microstructures under inert atmospheres. The byproduct formed during MnO2 heat treatments from the room temperature to 800 °C were characterized by in situ X-ray diffraction analyses. It was found that annealing spinel and ramsdellite phases caused the formation of MnO2 pyrolusite at 200 °C, Mn2O3, at 400 °C, and then Mn3O4 at higher temperatures. In the case of cryptomelane and birnessite phases, the heating process resulted in the formation of K0.51Mn0.93O2 at 600 °C, while Mn3O4 was also formed and still present up to 800 °C. Heat-treating Ni-todorokite and OMS-5 up to about 450 °C led to the formation of NiMn2O4 and NaxMnO2, respectively, and again Mn3O4 at higher temperatures. All of these structural transformations were correlated to resulting weight losses of MnO2 powders, measured by thermogravimetric analyses, during the heating process. Cyclic voltammetry measurements were performed in the presence of 0.5 M K2SO4 aqueous solution for annealed cryptomelane, K0.51Mn0.93O2, and Mn3O4-based electrodes. It was found that MnO2 cryptomelane is electrochemically stable upon heating. The long-term charge/discharge voltammetric cycling revealed that the specific capacitance of Mn3O4-based electrode is significantly improved from 14 F·g(-1) (after 20 cycles) to 123 F·g(-1) (after 500 cycles).

  9. Influence of Cu substitution on the structural ordering, photocatalytic activity and photoluminescence emission of Ag3-2xCuxPO4 powders

    Science.gov (United States)

    Pereira, Wyllamanney da S.; Sczancoski, Júlio C.; Calderon, Yormary N. C.; Mastelaro, Valmor R.; Botelho, Gleice; Machado, Thales R.; Leite, Edson R.; Longo, Elson

    2018-05-01

    Materials presenting high photocatalytic performance and interesting photoluminescence emissions are promising candidates for photodegradation of organic pollutants discharged into natural waters as well as for development of new electro-optical devices, respectively. In this study, Ag3-2xCuxPO4 (x = 0.00, 0.01, 0.02, 0.04 and 0.08) powders were synthesized by the precipitation method. The long- and short-range structural ordering was affected when the copper (Cu) content was increased in the lattice, as identified by X-ray diffraction patterns, Fourier transform infrared spectroscopy and Raman spectroscopy, respectively. The field emission scanning electron microscope and transmission electron microscope revealed a particle system composed of irregular spherical-like microcrystals. The presence of Cu as well as its real amount in the samples were confirmed by means of X-ray photoelectron spectroscopy and inductively coupled plasma-atomic emission spectrometry, respectively. On increasing Cu level, a slight variation was noted on the photocatalytic activity of Ag3-2xCuxPO4 powders for degradation of rhodamine B under visible light irradiation. A photodegradation mechanism was proposed in details. The photoluminescence emissions were explained by electronic transitions involving intermediary energy levels in the band gap. The origin these energy levels was related to defects caused by the substitution of Ag by Cu in the crystalline structure.

  10. The influence of the long time milling on the structure and magnetic properties of the Fe-Cu-Nb-Si-B powder

    International Nuclear Information System (INIS)

    Fechova, E.; Kollar, P.; Fuezer, J.; Kovac, J.; Petrovic, P.; Kavecansky, V.

    2004-01-01

    We have studied the influence of milling on the structure and magnetic properties of Fe 73.5 Cu 1 Nb 3 Si 13.5 B 9 powder prepared in a vibratory micro-mill as a function of long milling time. Three powder samples have been prepared and investigated (the first one was prepared by the milling of amorphous ribbon, the second one by milling of the same ribbon in a partially nanocrystallized state and the third one by milling of pure elements). Structural analysis shows the decrease of the grain size with the increasing time of milling. The coercivity of the samples prepared from pure elements increases almost linearly up to 1700 h of milling while further milling leads to the saturation at 25 kA/m (at the milling time of 3500 h). The coercivity of the samples milled from ribbons increases to its maximum of 8 kA/m for the milling time of 800 h and then decreases

  11. Properties of nano-structured Ni/YSZ anodes fabricated from plasma sprayable NiO/YSZ powder prepared by single step solution combustion method

    Energy Technology Data Exchange (ETDEWEB)

    Prakash, B. Shri; Balaji, N.; Kumar, S. Senthil; Aruna, S.T., E-mail: staruna194@gmail.com

    2016-12-15

    Highlights: • Preparation of plasma grade NiO/YSZ powder in single step. • Fabrication of nano-structured Ni/YSZ coating. • Conductivity of 600 S/cm at 800 °C. - Abstract: NiO/YSZ anode coatings are fabricated by atmospheric plasma spraying at different plasma powers from plasma grade NiO/YSZ powders that are prepared in a single step by solution combustion method. The process adopted is devoid of multi-steps that are generally involved in conventional spray drying or fusing and crushing methods. Density of the coating increased and porosity decreased with increase in the plasma power of deposition. An ideal nano-structured Ni/YSZ anode encompassing nano YSZ particles, nano Ni particles and nano pores is achieved on reducing the coating deposited at lower plasma powers. The coating exhibit porosities in the range of 27%, sufficient for anode functional layers. Electronic conductivity of the coatings is in the range of 600 S/cm at 800 °C.

  12. Fine-structured aluminium products with controllable texture by selective laser melting of pre-alloyed AlSi10Mg powder

    International Nuclear Information System (INIS)

    Thijs, Lore; Kempen, Karolien; Kruth, Jean-Pierre; Van Humbeeck, Jan

    2013-01-01

    Graphical abstract: -- Abstract: This study shows that AlSi10Mg parts with an extremely fine microstructure and a controllable texture can be obtained through selective laser melting (SLM). Selective laser melting creates complex functional products by selectively melting powder particles of a powder bed layer after layer using a high-energy laser beam. The high-energy density applied to the material and the additive character of the process result in a unique material structure. To investigate this material structure, cube-shaped SLM parts were made using different scanning strategies and investigated by microscopy, X-ray diffraction and electron backscattered diffraction. The experimental results show that the high thermal gradients occurring during SLM lead to a very fine microstructure with submicron-sized cells. Consequently, the AlSi10Mg SLM products have a high hardness of 127 ± 3 Hv0.5 even without the application of a precipitation hardening treatment. Furthermore, due to the unique solidification conditions and the additive character of the process, a morphological and crystallographic texture is present in the SLM parts. Thanks to the knowledge gathered in this paper on how this texture is formed and how it depends on the process parameters, this texture can be controlled. A strong fibrous 〈1 0 0〉 texture can be altered into a weak cube texture along the building and scanning directions when a rotation of 90° of the scanning vectors within or between the layers is applied

  13. Resolution of the crystal structure of the deficient perovskite LaNiO2.5 from neutron powder diffraction data

    International Nuclear Information System (INIS)

    Alonso, J.A.; Martinez-Lope, M.J.

    1996-01-01

    The oxygen-deficient perovskite LaNiO 2.5 has been prepared by controlled reduction of LaNiO 3 with Zr metal. The XRD pattern could be indexed in a monoclinic unit-cell with dimensions a 0 xa 0 xa 0 (a 0 : lattice parameter of the ideal cubic perovskite). The indexing of the neutron powder diffraction pattern needed a doubled cell to account for the superstructure reflections originated by the oxygen vacancy ordering and the tilting of the Ni coordination polyhedra. The structure was solved and refined from the neutron powder data. The oxygen vacancies are ordered in such a way that square planar NiO 4 and NiO 6 octahedra alternate in the ab plane along the [110] direction. Both kinds of Ni polyhedra are fairly distorted and tilted in order to optimize the La-O distances, giving rise to a highly strained structure of metastable character. In fact, the compound readily takes oxygen, above 175 C in air, to give the much more stable LaNiO 3 perovskite. (orig.)

  14. New synthesis parameters of GGG:Nd nanocrystalline powder prepared by sol–gel method: Structural and spectroscopic investigation

    Energy Technology Data Exchange (ETDEWEB)

    Alshikh Mohamad, Yassin, E-mail: yassinm@mail.ru; Atassi, Yomen; Moussa, Zafer

    2015-09-15

    GGG:Nd nanopowder is synthesized by the sol–gel method using formic acid and acetic acid as chelating agents and ethylene glycol as a cross linking agent. TGA–DSC, XRD, photoluminescence spectroscopy and fluorescence life time analysis (τ) are used to characterize the powder. XRD is used to optimize the synthesis parameters. According to XRD, complete phase of GGG nanopowder is formed at 800 °C for 1 min. Fluorescence life time analyses reveal that the optimum crystallization temperature is 1000 °C. - Highlights: • GGG:Nd nanopowder was prepared using formic acid by the sol gel method. • Optimization of sol gel parameters was done. • GGG phase formation was complete at 800 °C for 1 min • According to τ measurements, optimal temperature treatment is at 1000 °C. • Nanopowder prepared with formic acid was better than that formed with acetic acid.

  15. Structure and soft magnetic properties of the bulk samples prepared by compaction of the mixtures of Co-based and Fe-based powders

    International Nuclear Information System (INIS)

    Fuezer, J.; Bednarcik, J.; Kollar, P.; Roth, S.

    2007-01-01

    Ball milling of CoFeZrB ribbons and subsequent compaction of the resulting powders were used to prepare bulk amorphous samples. Further, two sets of powder samples were prepared by cryomilling of FeCuNbMoSiB alloy in amorphous and nanocrystalline state. Amorphous and nanocrystalline FeCuNbMoSiB powders were blended with CoFeZrB powder at different concentrations. Such powder mixtures were consolidated and several bulk nanocomposites have been synthesized. An addition of nanocrystalline or amorphous FeCuNbMoSiB powder to amorphous CoFeZrB powder caused a decrease of the magnetostriction of the resultant bulk samples, while the coercivity shows an opposite behavior. Our results show that the powder consolidation by hot pressing is an alternative method for the preparation of bulk metallic glasses, which are difficult to prepare by casting methods

  16. A comparison between the Structural Results obtained by X-ray Single Crystal Data and by Neutron Powder Data for BaVs/sb3/

    International Nuclear Information System (INIS)

    Marezio, M.

    1986-01-01

    The structure of BaVs/sb3/, as refined from X-ray single-crystal data to an R factor of 0.011, is compared to the structure of the same compound obtained from neutron powder data (Rsb(ro) = 6.82, Rsb(psilon) = 4.09). As expected, the X-ray standard deviations of the positional and thermal parameters are smaller than the corresponding neutron standard deviations. However, the dynamical disorder deduced from the anomalously large thermal vibrations of the vanadium atoms obtained from the X-ray data is also evidenced by the neutron refinement. On the other hand, the neutron standard deviations of the lattice parameters are smaller than the X-ray counterparts

  17. X-ray mapping in heterocyclic design: IV. Crystal structure determination of 3-(p-nitrobenzoyl)-2-oxooxazolo[3,2-a]pyridine from powder diffraction data

    International Nuclear Information System (INIS)

    Rybakov, V.B.; Zhukov, S.G.; Babaev, E.V.; Sonneveld, E.J.

    2001-01-01

    The structure of 3-(p-nitrobenzoy)-2-oxooxazolo[3,2-a]pyridine is determined by the powder diffraction technique. The crystals are monoclinic, a = 13.642(2) A, b = 22.278(3) A, c = 3.917(1) A, β = 90.63(2) deg., Z 4, and space group P2 1 /n. The structure is solved by a modified Monte Carlo method and refined by the Reitveld method. The six-membered heterocycle is characterized by the alternation of partially single and partially double bonds. The system of two conjugated heterocycles is planar and forms a dihedral angle of 46.1(1) deg. with the plane of the phenyl ring. The nitro group is virtually coplanar with the phenyl fragment. An extensive system of intramolecular and intermolecular contacts involving hydrogen, oxygen, and nitrogen atoms is observed in the crystal

  18. Thermal, structural and electrochemical properties of new aliphatic-aromatic imine with piperazine moieties blended with titanium dioxide

    Science.gov (United States)

    Różycka, Anna; Fryń, Patryk; Iwan, Agnieszka; Bogdanowicz, Krzysztof Artur; Filapek, Michal; Górska, Natalia; Dąbczyński, Paweł; Rysz, Jakub; Pociecha, Damian; Hreniak, Agnieszka; Marzec, Monika

    2018-02-01

    A new piperazine imine, (7E)-N-((4-((E)-(4-hexadecylphenylimino)methyl)piperazin-1-yl)methylene)-4-dodecylbenzenamine, has been synthesized by the condensation of 1,4-piperazinedicarboxaldehyde with 4-hexadecylaniline. The imine was characterized by cyclic voltammetry, Fourier transform middle-infrared absorption spectroscopy and X-ray diffraction. Thermal properties of imine was analyzed by differential scanning calorimetry method during first and second heating scan at 10 and 20 °C/min. Texture of imine was investigated by polarized optical microscopy and atomic force microscopy. Furthermore, imine was blended with titanium dioxide in anatase form and fully characterized by the same methods. Piperazine imine and its mixture with titanium dioxide exhibited only a transition from crystal to isotropic state. Imine exhibits two-step reduction wave attributed to one-electron transfer in each step as was found by cyclic voltammetry. Both titanium dioxide and poly(3-hexylthiophene) change the electrochemical properties of piperazine imine, however, in different ways. Studied imine blended with titanium dioxide exhibited higher value of energy band gap than pure piperazine imine and lower Eg than pure poly(3-hexylthiophene).

  19. Titanium dioxide nanoparticles modified by salicylic acid and arginine: Structure, surface properties and photocatalytic decomposition of p-nitrophenol

    Energy Technology Data Exchange (ETDEWEB)

    Li, Lei [State Key Laboratory of Urban Water Resource and Environment, Harbin Institute of Technology, Harbin 150090 (China); Shanxi Province Key Laboratory of Higee-Oriented Chemical Engineering, North University of China, Taiyuan 030051 (China); Feng, Yujie, E-mail: yujief@hit.edu.cn [State Key Laboratory of Urban Water Resource and Environment, Harbin Institute of Technology, Harbin 150090 (China); Liu, Youzhi; Wei, Bing; Guo, Jiaxin; Jiao, Weizhou [Shanxi Province Key Laboratory of Higee-Oriented Chemical Engineering, North University of China, Taiyuan 030051 (China); Zhang, Zhaohan [State Key Laboratory of Urban Water Resource and Environment, Harbin Institute of Technology, Harbin 150090 (China); Zhang, Qiaoling, E-mail: zhangqiaoling@nuc.edu.cn [Shanxi Province Key Laboratory of Higee-Oriented Chemical Engineering, North University of China, Taiyuan 030051 (China)

    2016-02-15

    Graphical abstract: A simple and versatile synthetic method to produce TiO{sub 2} nanoparticles surface-modified with various organic capping agents can be used for novel multifunctional photocatalysts as required for various applications in energy saving and environmental protection. - Highlights: • SA and Arg was modified through the method of dipping treatment-based on chemical adsorption in saturated solution. • Surface modified TiO{sub 2} applied in photodecomposition of nitroaromatic. • The photoreduction of nitroaromatic and photocatalytic activity under visible light irradiation were enhanced by TiO{sub 2}–SA–Arg. • TiO{sub 2}–SA–Arg showed better lipophilic, dispersion and adsorption properties. - Abstract: In this study, titanium dioxide (TiO{sub 2}) nanoparticles were surface-modified with salicylic acid (SA) and arginine (Arg) using an environmentally friendly and convenient method, and the bonding structure, surface properties and degradation efficiency of p-nitrophenol (PNP) were investigated. X-ray diffractometry (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), Brunauer–Emmett–Teller (BET), X-ray photoelectron spectroscopy (XPS), Fourier-transform infrared spectroscopy (FT-IR), water contact angle (WCA) measurements, ζ-potentiometric analysis, UV/visible diffuse reflectance spectroscopy (UV–vis DRS), and thermogravimetric analysis (TGA) were performed to evaluate the modification effect. The degradation rates were determined by high-performance liquid chromatography (HPLC). The results show that bidentate or bridging bonds are most likely formed between SA/Arg and TiO{sub 2} surface. Surface modification with SA, Arg, or both can improve the lipophilic properties and decrease the zeta potential, and also result in a red shift of the absorption wavelength. TiO{sub 2} nanoparticles modified by Arg or both SA and Arg show a large specific surface area and pore volume. Further, degradation

  20. Crystal structure relation between tetragonal and orthorhombic CsAlD{sub 4}: DFT and time-of-flight neutron powder diffraction studies

    Energy Technology Data Exchange (ETDEWEB)

    Bernert, Thomas; Krech, Daniel; Felderhoff, Michael; Weidenthaler, Claudia [Department of Heterogeneous Catalysis, Max-Planck-Institut fuer Kohlenforschung, Muelheim/Ruhr (Germany); Kockelmann, Winfried [Rutherford Appleton Laboratory, Harwell Oxford, Didcot (United Kingdom); Frankcombe, Terry J. [Research School of Chemistry, The Australian National University, Canberra, ACT (Australia); School of Physical, Environmental and Mathematic Sciences, The University of New South Wales, Canberra, ACT (Australia)

    2015-11-15

    The crystal structures of orthorhombic and tetragonal CsAlD{sub 4} were refined from time-of-flight neutron powder diffraction data starting from atomic positions predicted from DFT calculations. The earlier proposed crystal structure of orthorhombic CsAlH{sub 4} is confirmed. For tetragonal CsAlH{sub 4}, DFT calculations predicted a crystal structure in I4{sub 1}/amd as potential minimum structure, while from neutron diffraction studies of CsAlD{sub 4} best refinement is obtained for a disordered structure in the space group I4{sub 1}/a, with a = 5.67231(9) Aa, c = 14.2823(5) Aa. While the caesium atoms are located on the Wyckoff position 4b and aluminium at Wyckoff position 4a, there are two distinct deuterium positions at the Wyckoff position 16f with occupancies of 50 % each. From this structure, the previously reported phase transition between the orthorhombic and tetragonal polymorphs could be explained. (Copyright copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  1. A study of the oriented composites with the conductive segregated structure obtained via solid-phase processing of the UHMWPE reactor powder mixed with the carbon nanofillers

    Energy Technology Data Exchange (ETDEWEB)

    Lebedev, Oleg V. [Moscow Institute of Physics and Technology (State University,) Institutskiy per., Dolgoprudny, Moscow Region, 141700 (Russian Federation); N.S. Enikolopov Institute of Synthetic Polymer Materials of RAS, Profsoyuznaya st., Moscow, 117393 (Russian Federation); Kechek’yan, Alexander S.; Shevchenko, Vitaly G.; Kurkin, Tikhon S.; Golubev, Evgeny K.; Ozerin, Alexander N. [N.S. Enikolopov Institute of Synthetic Polymer Materials of RAS, Profsoyuznaya st., Moscow, 117393 (Russian Federation); Karpushkin, Evgeny A.; Sergeev, Vladimir G. [Moscow State University, Chemical Department, Leninskie Gori, Moscow, 119234 (Russian Federation)

    2016-05-18

    Electrically conductive oriented polymer nano-composites of different compositions, based on the reactor powder of ultra-high-molecular-weight polyethylene (UHMWPE) with a special morphology, filled with particles of nanostructured graphite (NG), multi-walled carbon nanotubes (MWCNTs), and electrically conductive carbon black (CB), were investigated. Polymer composites were obtained via compaction of the mechanical mixture of the polymer and filler powder, followed by uniaxial deformation of the material under homogeneous shear (HS) conditions (all of the processing stages were conducted at room temperature). Resulted composites possess a high tensile strength, high level of the electrical conductivity and low percolation threshold, owing it to the formation of the segregated conductive structure, The influence of the type of nanosized carbon filler, degree of the deformation under HS condition, temperature and etc. on the electrical conductivity and mechanical properties of strengthened conductive composites oriented under homogeneous shear conditions was investigated. Changes in the electrical conductivity of oriented composite materials during reversible “tension–shrinkage” cycles along the orientation axis direction were studied. A theoretical approach, describing the process of transformation of the conductive system as a response on polymer phase deformation and volume change, was proposed, based on the data received from the analysis of the conductivity behavior during the uniaxial deformation and thermal treatment of composites.

  2. Titanium Dioxide Coatings Sprayed by a Water-Stabilized Plasma Gun (WSP) with Argon and Nitrogen as the Powder Feeding Gas: Differences in Structural, Mechanical and Photocatalytic Behavior

    Czech Academy of Sciences Publication Activity Database

    Ctibor, Pavel; Pala, Zdeněk; Sedláček, J.; Štengl, Václav; Píš, I.; Zahoranová, T.; Nehasil, V.

    2012-01-01

    Roč. 21, 3-4 (2012), s. 425-434 ISSN 1059-9630 Institutional research plan: CEZ:AV0Z20430508; CEZ:AV0Z40320502 Keywords : bandgap * photocatalysis * resistivity * spectroscopy * TiO2 Subject RIV: JK - Corrosion ; Surface Treatment of Materials; CA - Inorganic Chemistry (UACH-T) Impact factor: 1.481, year: 2012 http://www.springerlink.com/content/1873259j2474168w/fulltext.pdf

  3. Foundations of powder metallurgy

    International Nuclear Information System (INIS)

    Libenson, G.A.

    1987-01-01

    Consideration is being given to physicochemical foundations and technology of metal powders, moulding and sintering of bars, made of them or their mixtures with nonmetal powders. Data on he design of basic equipment used in the processes of powder metallurgy and its servicing are presented. General requirements of safety engineering when fabricating metal powders and products of them are mentioned

  4. Method of manufacturing mixed stock powders for nuclear fuel elements

    International Nuclear Information System (INIS)

    Hirayama, Satoshi.

    1980-01-01

    Purpose: To alleviate the limit of the present reactor operating conditions by uniformly mixing an additive to the main content as an uranium dioxide or mixture of the uranium dioxide with plutonium dioxide. Method: A mixed stock powder is obtained by adding an additive of at least two of aluminium oxide, beryllium oxide, calcium oxide, magnesium oxide, silicon oxide, sodium oxide, potassium oxide, phosphorus oxide, titanium oxide and iron oxide to suspension having ammonia water as dispersion medium to start the deposition of precipitation at a step of precipitating ammonium diuranate or plutionium hydroxide of a main content of uranium dioxide or mixture of uranium dioxide and plutonium dioxide and deposited precipitate is calcinated and reduced. (Yoshihara, H.)

  5. Effect of powder geometry on densification

    International Nuclear Information System (INIS)

    Spasskij, M.R.; Spasskaya, I.A.; Shatalova, I.G.; Shchukin, E.D.

    1979-01-01

    The effect of particle shape and size composition on the processes of powder vibratory compacting is considered. Using microstress measurements in compacted structures of conglomerated and disintegrated tungsten powders as well as powder strength testing the existence of a zone of transition from a structural deformation to a plastic one has been shown. The formation of phase interparticle contacts of practically stable strength (approximately 5-6 dyn) is a characteristic feature of the zone. The width of the transition zone greatly depends upon geometrical powder properties; 55-65 % for conglomerated tungsten, 63-66 % for integrated tungsten

  6. Impact strength of sintered astaloy CrM powders

    International Nuclear Information System (INIS)

    Kazior, J.; Ploszczak, J.; Nykiel, M.; Pieczonka, T.

    2003-01-01

    In this paper results of a series of impact tests on sintered Astaloy CrM powders alloys modified by boron are presented and discussed. Boron in different forms, i.e. as elemental boron powder, boron carbide B 4 C powder or mixture of boron and carbon elemental powders, was used in different weight percentage to activate sintering of Astaloy CrM powder and to increase hardenability, with aim of increasing impact strength in view of structural applications. (author)

  7. Synthesis and characterization on titanium dioxide prepared by precipitation and hydrothermal treatment; Sintese e caracterizacao de dioxido de titanio preparado por precipitacao e tratamento hidrotermico

    Energy Technology Data Exchange (ETDEWEB)

    Santos, Andre V.P. dos; Yoshito, Walter K.; Lazar, Dolores R.R.; Ussui, Valter, E-mail: vussui@ipen.br [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil)

    2012-07-01

    Surface properties of titanium dioxide (titania) are outstanding among ceramic materials and enables uses as catalysts, photoelectrochemical devices, solar cells and others. In many of these applications, it is necessary to keep the anatase phase, that is stable only in low temperatures (<400 deg C). In the present work, the influence of hydrothermal treatment on physical characteristics and crystal structure of titania powders synthesized by precipitation was investigated. Characterizations of obtained powders were carried out by X-ray diffraction, surface area analysis by N2 gas sorption (BET) and microstructure of powders and ceramics were analyzed by scanning electron microscopy. As prepared powders were formed as cylindrical pellets by uniaxial pressing and sintered at 1500 deg C for 01 hour. Results showed that anatase phase without formation of rutile phase can be formed in hydrothermally treated samples . Rutile phase is predominant in calcined and/or sintered samples (author)

  8. Fundamentals of powder metallurgy

    International Nuclear Information System (INIS)

    Khan, I.H.; Qureshi, K.A.; Minhas, J.I.

    1988-01-01

    This book is being presented to introduce the fundamentals of technology of powder metallurgy. An attempt has been made to present an overall view of powder metallurgy technology in the first chapter, whereas chapter 2 to 8 deal with the production of metal powders. The basic commercial methods of powder production are briefly described with illustrations. Chapter 9 to 12 describes briefly metal powder characteristics and principles of testing, mixing, blending, conditioning, compaction and sintering. (orig./A.B.)

  9. Electronic structure of the actinides and their dioxides. Application to the defect formation energy and krypton solubility in uranium dioxide; Etude de la structure electronique des actinides et de leurs dioxydes. Application aux defauts ponctuels et aux gaz de fission dans le dioxyde d`uranium

    Energy Technology Data Exchange (ETDEWEB)

    Petit, T. [CEA Centre d`Etudes Nucleaires de Grenoble, 38 (France)]|[CEA Centre d`Etudes de Grenoble, 38 (France). Dept. de Thermohydraulique et de Physique

    1996-09-28

    Uranium dioxide is the standard nuclear fuel used in French h power plants. During irradiation, fission products such as krypton and xenon are created inside fuel pellets. So, gas release could become, at very high burnup, a limiting factor in the reactor exploitation. To study this subject, we have realised calculations using the Density Functional Theory (DFT) into the Local Density Approximation (LDA) and the Atomic Sphere Approximation (ASA). First, we have validated our approach by calculating cohesive properties of thorium, protactinium and uranium metals. The good agreement between our results and experimental values implies that 5f electrons are itinerant. Calculated lattice parameter, cohesive energy and bulk modulus for uranium and thorium dioxides are in very good agreement with experiment. We show that binding between uranium and oxygen atoms is not completely ionic but partially covalent. The question of the electrical conductivity still remains an open problem. We have been able to calculate punctual defect formation energies in uranium dioxide. Accordingly to experimental observations, we find that it is easier to create a defect in the oxygen sublattice than in the uranium sublattice. Finally, we have been able to predict a probable site of krypton atoms in nuclear fuel: the Schottky trio. Experiences of Extended X-ray Absorption Fine structure Spectroscopy (EXAFS) and X-ray Photoelectron Spectroscopy (XPS) on uranium dioxide doped by ionic implantation will help us in the comprehension of the studied phenomena and the interpretation of our calculations. (author). 256 refs.

  10. Titanium Dioxide Photocatalytic Polymerization of Acrylamide for Gel Electrophoresis (TIPPAGE) of Proteins and Structural Identification by Mass Spectrometry

    Science.gov (United States)

    Zhang, Wenyang; Yuan, Zhiwei; Huang, Lulu; Kang, Jie; Jiang, Ruowei; Zhong, Hongying

    2016-01-01

    Polyacrylamide gel electrophoresis (PAGE) coupled with mass spectrometry has been well established for separating, identifying and quantifying protein mixtures from cell lines, tissues or other biological samples. The copolymerization process of acrylamide and bis-acrylamide is the key to mastering this powerful technique. In general, this is a vinyl addition reaction initiated by free radical-generating reagents such as ammonium persulfate (APS) and tetramethylethylenediamine (TEMED) under basic pH and degassing experimental condition. We report herein a photocatalytic polymerization approach that is based on photo-generated hydroxyl radicals with nanoparticles of titanium dioxide. It was shown that the polymerization process is greatly accelerated in acidic condition when ultraviolet light shots on the gel solution containing TiO2 nanoparticles without degassing. This feature makes it very useful in preparing Triton X-100 acid urea (TAU) gel that has been developed for separating basic proteins such as histones and variants in acidic experimental condition. Additionally, the presence of titanium dioxide in the gel not only improves mechanistic property of gels but also changes the migration pattern of different proteins that have different affinities to titanium dioxide. PMID:26865351

  11. Intensive structural investigation of R{sub 2}Fe{sub 17-x}M{sub x} intermetallic compounds using high resolution powder neutron diffractometer

    Energy Technology Data Exchange (ETDEWEB)

    Mujamilah,; Ridwan, [Materials Science Research Center, National Atomic Energy Agency of Indonesia, Jakarta (Indonesia)

    1998-10-01

    The crystallographic and magnetic structure of R{sub 2}Fe{sub 17-x}M{sub x} intermetallic compounds system were refined by Rietveld analyses of the high resolution neutron powder diffraction data. The analyses results show that the substituent atoms were not distributed randomly over the Fe sites, but preferentially occupied some Fe sites. More further, it was also found that the substituent atoms which atomic radius smaller than Fe tend to avoid the 6c site at low concentration while the larger substituent atom tend to replace the Fe atom at this 6c site corresponding to their concentration. From these crystallographic data, it was suggested that the change of magnetic ordering temperature Tc, is not mainly determined by the change of short bond distance between this `dumb-bell` atoms, but it was also influenced by the nearest coordinated atoms to this site. (author)

  12. Diffraction. Powder, amorphous, liquid

    International Nuclear Information System (INIS)

    Sosnowska, I.M.

    1999-01-01

    Neutron powder diffraction is a unique tool to observe all possible diffraction effects appearing in crystal. High-resolution neutron diffractometers have to be used in this study. Analysis of the magnetic structure of polycrystalline materials requires the use of high-resolution neutron diffraction in the range of large interplanar distances. As distinguished from the double axis diffractometers (DAS), which show high resolution only at small interplanar distances, TOF (time-of-flight) diffractometry offers the best resolution at large interplanar distances. (K.A.)

  13. Point Defects in 3D and 1D Nanomaterials: The Model Case of Titanium Dioxide

    International Nuclear Information System (INIS)

    Knauth, Philippe

    2010-01-01

    Titanium dioxide is one of the most important oxides for applications in energy and environment, such as solar cells, photocatalysis, lithium-ion batteries. In recent years, new forms of titanium dioxide with unusual structure and/or morphology have been developed, including nanocrystals, nanotubes or nanowires. We have studied in detail the point defect chemistry in nanocrystalline TiO 2 powders and ceramics. There can be a change from predominant Frenkel to Schottky disorder, depending on the experimental conditions, e.g. temperature and oxygen partial pressure. We have also studied the local environment of various dopants with similar ion radius, but different ion charge (Zn 2+ , Y 3+ , Sn 4+ , Zr 4+ , Nb 5+ ) in TiO 2 nanopowders and nanoceramics by Extended X-Ray Absorption Fine Structure (EXAFS) Spectroscopy. Interfacial segregation of acceptors was demonstrated, but donors and isovalent ions do not segregate. An electrostatic 'space charge' segregation model is applied, which explains well the observed phenomena.

  14. Carbon dioxide sensor

    Science.gov (United States)

    Dutta, Prabir K [Worthington, OH; Lee, Inhee [Columbus, OH; Akbar, Sheikh A [Hilliard, OH

    2011-11-15

    The present invention generally relates to carbon dioxide (CO.sub.2) sensors. In one embodiment, the present invention relates to a carbon dioxide (CO.sub.2) sensor that incorporates lithium phosphate (Li.sub.3PO.sub.4) as an electrolyte and sensing electrode comprising a combination of lithium carbonate (Li.sub.2CO.sub.3) and barium carbonate (BaCO.sub.3). In another embodiment, the present invention relates to a carbon dioxide (CO.sub.2) sensor has a reduced sensitivity to humidity due to a sensing electrode with a layered structure of lithium carbonate and barium carbonate. In still another embodiment, the present invention relates to a method of producing carbon dioxide (CO.sub.2) sensors having lithium phosphate (Li.sub.3PO.sub.4) as an electrolyte and sensing electrode comprising a combination of lithium carbonate (Li.sub.2CO.sub.3) and barium carbonate (BaCO.sub.3).

  15. Resolution of crystal structures by X-ray and neutrons powder diffraction using global optimisation methods; Resolution des structures cristallines par diffraction des rayons X et neutrons sur poudres en utilisant les methodes d'optimisation globale

    Energy Technology Data Exchange (ETDEWEB)

    Palin, L

    2005-03-15

    We have shown in this work that X-ray diffraction on powder is a powerful tool to analyze crystal structure. The purpose of this thesis is the resolution of crystal structures by X-ray and neutrons diffraction on powder using global optimisation methods. We have studied 3 different topics. The first one is the order-disorder phenomena observed in some globular organic molecular solids. The second is the opiate family of neuropeptides. These neurotransmitters regulate sensory functions including pain and control of respiration in the central nervous system. The aim of our study was to try to determine the crystal structure of Leu-enkephalin and some of its sub-fragments. The determination of the crystal structures has been done performing Monte Carlo simulations. The third one is the location of benzene in a sodium-X zeolite. The zeolite framework was already known and the benzene has been localized by simulated annealing and by the use of maximum entropy maps.

  16. On the sol-gel synthesis and thermal, structural, and magnetic studies of transition metal (Ni, Co, Mn) containing ZnO powders

    Energy Technology Data Exchange (ETDEWEB)

    Thota, Subhash; Dutta, Titas; Kumar, Jitendra [Materials Science Programme, Indian Institute of Technology Kanpur, Kanpur-208016 (India)

    2006-03-01

    Transition metal containing ZnO powders (Zn{sub 1-x}M{sub x}O, 0{<=}x{<=}0.30; M = Ni, Mn, Co) have been synthesized by a sol-gel process using zinc acetate dihydrate, respective acetate and oxalic acid as precursors with ethanol as a solvent. The process essentially involves gel formation, drying at 80 {sup 0}C for 24 h to provide the oxalate, and calcination at 500 {sup 0}C for 2 h to undergo an exothermic reaction and yield Zn{sub 1-x}M{sub x}O powder. Their XRD patterns correspond to a wurtzite hcp structure similar to that of pure ZnO, but with the lattice parameters varying slightly with type and extent of doping. It is shown that the dissolution of nickel and cobalt in ZnO is less than 10 at.%, whereas that of manganese lies between 10 and 15 at.%. Other phases that emerge include NiO (hexagonal, a = 2.954 A, c = 7.236 A), ZnCo{sub 2}O{sub 4} (cubic, a = 8.094 A) and ZnMnO{sub 3} (cubic, a = 8.35 A) in the Ni, Co and Mn containing ZnO systems, respectively. Observations of hysteresis loops both at 10 and 320 K and the nature of ESR spectra provide evidence for the ferromagnetic state in nickel containing ZnO powder. Besides, the deviation occurs in the magnetization versus temperature curves in zero field cooled (ZFC) and field cooled (FC) conditions (blocking temperature T{sub B} being 32 K for 5 at.% Ni). The magnetic behaviour of manganese and cobalt doped zinc oxide is, however, different, namely (i) no hysteresis loops (ii) decrease in magnetization with increase of Mn or Co content, and (iii) identical M-T curves under ZFC and FC conditions. The inverse susceptibility versus temperature curves of Zn{sub 1-x}Mn{sub x}O compounds reveal ferrimagnetism with Neel temperature T{sub N} of 4 K for x = 0.02, but antiferromagnetism for x = 0.15 and 0.25 with Curie-Weiss temperature of -43 and -30 K, respectively.

  17. Magneto-structural transformations in Ni{sub 50}Mn{sub 37.5}Sn{sub 12.5−x}In{sub x} Heusler powders

    Energy Technology Data Exchange (ETDEWEB)

    Maziarz, Wojciech; Wójcik, Anna; Czaja, Paweł [Instituite of Metallurgy and Materials Science, Polish Academy of Sciences, 25 Reymonta Str, 30-059 Kraków (Poland); Żywczak, Antoni [AGH University of Science and Technology, Academic Centre for Materials and Nanotechnology, Mickiewicza 30, 30-059 Kraków (Poland); Jan Dutkiewicz [Instituite of Metallurgy and Materials Science, Polish Academy of Sciences, 25 Reymonta Str, 30-059 Kraków (Poland); Hawełek, Łukasz [Institute of Non-Ferrous Metals, ul. Sowinskiego 5, 44-100 Gliwice (Poland); Cesari, Eduard [Department de Física, Universitat de les Illes Balears, Ctra. de Valldemossa, km 7.5, Palma de Mallorca E-07122 (Spain)

    2016-08-15

    The effect of ball milling and subsequently annealing of melt spun ribbons on magneto-structural transformations in Ni{sub 50}Mn{sub 37.5}Sn{sub 12.5−x}In{sub x} (x=0, 2, 4, 6) ribbons is presented. Short time vibration milling allows to obtain chemically homogenous powders of angular particle shapes and size within 10–50 μm. Milling does not change the characteristic temperatures of martensitic transformation in comparison to the melt spun ribbons. The effect of In substitution for Sn on martensitic transformation has a complex mechanism, associated with electron density change. Substitution of Sn by In in both milled and annealed powders leads to decrease of Curie temperature of austenite and increase of martensitic transformation temperature, stabilizing martensitic phase. The coexistence of magnetic transformation of austenite and martensitic transformation at low magnetic field was observed. The intermartensitic transformation of 4O martensite to L1{sub 0} martensite was observed during cooling at low magnetic field and this was confirmed by TEM microstructure observations. The annealing process of as-milled powders leads to the change of their martensitic structure due to relaxation of internal stresses associated with anisotropic columnar grain microstructure formed during melt spinning process. The level of stresses introduced during milling of ribbons has no significant influence on martensitic transformation. The annealing process of as milled powders leads to enhancement of their magnetic properties, decrease of Curie temperature of austenite, and marginal change of temperature of martenisitic transformation. - Highlights: • Vibration milling of ribbons allows to obtain angular powders of size 10–50 μm. • Vibration milling improves chemical homogeneity of alloys. • Indium addition changes the magneto-structural transformations in Ni–Mn–Sn–In alloys. • Complex character of magneto-structural transformations is visible. • Multistep

  18. High capacity carbon dioxide sorbent

    Science.gov (United States)

    Dietz, Steven Dean; Alptekin, Gokhan; Jayaraman, Ambalavanan

    2015-09-01

    The present invention provides a sorbent for the removal of carbon dioxide from gas streams, comprising: a CO.sub.2 capacity of at least 9 weight percent when measured at 22.degree. C. and 1 atmosphere; an H.sub.2O capacity of at most 15 weight percent when measured at 25.degree. C. and 1 atmosphere; and an isosteric heat of adsorption of from 5 to 8.5 kilocalories per mole of CO.sub.2. The invention also provides a carbon sorbent in a powder, a granular or a pellet form for the removal of carbon dioxide from gas streams, comprising: a carbon content of at least 90 weight percent; a nitrogen content of at least 1 weight percent; an oxygen content of at most 3 weight percent; a BET surface area from 50 to 2600 m.sup.2/g; and a DFT micropore volume from 0.04 to 0.8 cc/g.

  19. Copper doped TiO2 nanoparticles characterized by X-ray absorption spectroscopy, total scattering, and powder diffraction--a benchmark structure-property study.

    Science.gov (United States)

    Lock, Nina; Jensen, Ellen M L; Mi, Jianli; Mamakhel, Aref; Norén, Katarina; Qingbo, Meng; Iversen, Bo B

    2013-07-14

    Metal functionalized nanoparticles potentially have improved properties e.g. in catalytic applications, but their precise structures are often very challenging to determine. Here we report a structural benchmark study based on tetragonal anatase TiO2 nanoparticles containing 0-2 wt% copper. The particles were synthesized by continuous flow synthesis under supercritical water-isopropanol conditions. Size determination using synchrotron PXRD, TEM, and X-ray total scattering reveals 5-7 nm monodisperse particles. The precise dopant structure and thermal stability of the highly crystalline powders were characterized by X-ray absorption spectroscopy and multi-temperature synchrotron PXRD (300-1000 K). The combined evidence reveals that copper is present as a dopant on the particle surfaces, most likely in an amorphous oxide or hydroxide shell. UV-VIS spectroscopy shows that copper presence at concentrations higher than 0.3 wt% lowers the band gap energy. The particles are unaffected by heating to 600 K, while growth and partial transformation to rutile TiO2 occur at higher temperatures. Anisotropic unit cell behavior of anatase is observed as a consequence of the particle growth (a decreases and c increases).

  20. Influence of nitrogenation on structure development and magnetic properties of mechanically alloyed and annealed Sm-Fe powders

    Energy Technology Data Exchange (ETDEWEB)

    Teresiak, A.; Kubis, M.; Mattern, N.; Wolf, M.; Gruner, W.; Mueller, K.-H. [Institut fuer Festkoerper- und Werkstofforschung Dresden e.V. (Germany)

    1999-11-15

    Sm-Fe-N compounds were prepared by mechanical alloying, subsequent annealing and nitrogenation. For crystal structure investigations of the non-equilibrium phases Sm{sub 2}Fe{sub 17+y}N{sub x}, formed at various annealing temperatures T{sub A} for 1 h, X-ray diffraction with following Rietveld analysis was used. A volume expansion of 6.2% was observed after nitrogenation. As for the non-nitrided Sm-Fe alloys a modified TbCu{sub 7}-type structure (space group P6/mmm) and a modified Th{sub 2}Zn{sub 17}-type structure (space group R anti 3m) have been observed. However, for nitrogenated Sm-Fe samples the modified Th{sub 2}Zn{sub 17}-type structure forms already for annealing at T{sub A}=750 C prior to nitrogenation. For samples annealed, prior to nitrogenation, between T{sub A}=600 and 700 C the modified TbCu{sub 7}-type structure was found, in which the nitrogen occupies randomly the 3f position with an occupancy larger than 1/3. The partially ordered, modified Th{sub 2}Zn{sub 17}-type structure formed for 750 Cstructure by introducing additional Fe(6c) and Sm(3a) positions. The degree of order of the Sm atoms and Fe-dumbbells increases with increasing T{sub A}. The nitrogen occupies the octahedral interstitial positions 9e in the latter cases. The nitrogen content is higher in the hexagonal phase than in the rhombohedral phase. Optimum magnetic properties were obtained for T{sub A}=750 C. Here we found a coercivity {mu}{sub 0J}H{sub c}=3.7 T and a good squareness of the demagnetization curve. (orig.)

  1. Influence of nitrogenation on structure development and magnetic properties of mechanically alloyed and annealed Sm-Fe powders

    International Nuclear Information System (INIS)

    Teresiak, A.; Kubis, M.; Mattern, N.; Wolf, M.; Gruner, W.; Mueller, K.-H.

    1999-01-01

    Sm-Fe-N compounds were prepared by mechanical alloying, subsequent annealing and nitrogenation. For crystal structure investigations of the non-equilibrium phases Sm 2 Fe 17+y N x , formed at various annealing temperatures T A for 1 h, X-ray diffraction with following Rietveld analysis was used. A volume expansion of 6.2% was observed after nitrogenation. As for the non-nitrided Sm-Fe alloys a modified TbCu 7 -type structure (space group P6/mmm) and a modified Th 2 Zn 17 -type structure (space group R anti 3m) have been observed. However, for nitrogenated Sm-Fe samples the modified Th 2 Zn 17 -type structure forms already for annealing at T A =750 C prior to nitrogenation. For samples annealed, prior to nitrogenation, between T A =600 and 700 C the modified TbCu 7 -type structure was found, in which the nitrogen occupies randomly the 3f position with an occupancy larger than 1/3. The partially ordered, modified Th 2 Zn 17 -type structure formed for 750 C A 2 Zn 17 -type structure by introducing additional Fe(6c) and Sm(3a) positions. The degree of order of the Sm atoms and Fe-dumbbells increases with increasing T A . The nitrogen occupies the octahedral interstitial positions 9e in the latter cases. The nitrogen content is higher in the hexagonal phase than in the rhombohedral phase. Optimum magnetic properties were obtained for T A =750 C. Here we found a coercivity μ 0J H c =3.7 T and a good squareness of the demagnetization curve. (orig.)

  2. Radiation effects in high-disperse metal media and their application in powder metallurgy

    International Nuclear Information System (INIS)

    Zaykin, Y.A.; Aliyev, B.A.

    2002-01-01

    Experimental and theoretical results showing up effects of metal powder radiation processing, such as powder grinding, chemical refinement, and changes in powder particle surface state, are discussed. It is shown that preliminary irradiation of metal powders leads to profound structural alterations at all further stages of their processing by conventional methods of powder metallurgy and eventually effects the properties of the resulting product

  3. Production and properties of boride powders

    International Nuclear Information System (INIS)

    Klinskaya, N.A.; Koroleva, E.B.; Petrunichev, V.A.

    1990-01-01

    Results of plasma metallization of boride powders 40-80 μ diam. are presented. Peculiarities of changes of granulometric powder composition and of metallic cover on refractory cores were investigated. There are shown size- and compositional cores effects on metallization level of poders and on cover structure

  4. Formation and properties of the buried isolating silicon-dioxide layer in double-layer “porous silicon-on-insulator” structures

    Energy Technology Data Exchange (ETDEWEB)

    Bolotov, V. V.; Knyazev, E. V.; Ponomareva, I. V.; Kan, V. E., E-mail: kan@obisp.oscsbras.ru; Davletkildeev, N. A.; Ivlev, K. E.; Roslikov, V. E. [Russian Academy of Sciences, Omsk Scientific Center, Siberian Branch (Russian Federation)

    2017-01-15

    The oxidation of mesoporous silicon in a double-layer “macroporous silicon–mesoporous silicon” structure is studied. The morphology and dielectric properties of the buried insulating layer are investigated using electron microscopy, ellipsometry, and electrical measurements. Specific defects (so-called spikes) are revealed between the oxidized macropore walls in macroporous silicon and the oxidation crossing fronts in mesoporous silicon. It is found that, at an initial porosity of mesoporous silicon of 60%, three-stage thermal oxidation leads to the formation of buried silicon-dioxide layers with an electric-field breakdown strength of E{sub br} ~ 10{sup 4}–10{sup 5} V/cm. Multilayered “porous silicon-on-insulator” structures are shown to be promising for integrated chemical micro- and nanosensors.

  5. Effects of phosphorus-doping on energy band-gap, structural, surface, and photocatalytic characteristics of emulsion-based sol-gel derived TiO{sub 2} nano-powder

    Energy Technology Data Exchange (ETDEWEB)

    Ganesh, Ibram, E-mail: ibramganesh@arci.res.in

    2017-08-31

    Highlights: • Reported a novel route to synthesize high specific surface area P-doped TiO{sub 2} nano-powder photocatalysts. • Established methylene blue dye-sensitization mechanism of TiO{sub 2} photocatalyst. • Established the effects of methylene blue adsorption on the surface, structural and photocatalytic activity of P-doped TiO{sub 2}. • Established true quantum efficiency determination method for TiO{sub 2} photocatalysis. - Abstract: Different amounts of phosphorus (P)-doped TiO{sub 2} (PDT) nano-powders (P = 0–10 wt.%) were synthesized by following a new emulsion-based sol-gel (EBSG) route and calcined at 400 °C–800 °C for 6 h. These calcined PDT powders were then thoroughly characterized by means of XRD, XPS, SEM, FT-IR, FT-Raman, DRS, BET surface area, zeta-potential, cyclic-voltammetry and photocatalytic evaluation using methylene blue (MB) as a model-pollutant and established the effects of phosphorous doping on structural, surface, band-gap energy, and photocatalytic characteristics of TiO{sub 2} nano-powder formed in EBSG route. The characterization results suggest that the EBSG derived TiO{sub 2} nano-powder after calcination at 400 °C for 6 h is in the form of anatase phase when it was doped with <8 wt.% P, and it is in the amorphous state when doped with >8 wt.% P. Furthermore, these EBSG derived PDT powders own high negative zeta-potentials, high specific surface areas (up to >250 m{sup 2}/g), and suitable band-gap energies (<3.34 eV). Surprisingly, these PDT powders exhibit very high MB adsorption (up to 50%) from its aqueous 0.01 mM, 0.02 mM and 0.03 mM solutions during 30 min stirring in the dark, whereas, the commercial Degussa P-25 TiO{sub 2} nano-powder shows no adsorption. Among various photocatalysts investigated in this study, the 1 wt.% P-doped TiO{sub 2} nano-powder formed in EBSG route exhibited the highest photocatalytic activity for MB degradation reaction.

  6. Study of the magnetic and structural properties of nanostructured powders of Nd{sub 2}Fe{sub 14}B mechanically alloyed

    Energy Technology Data Exchange (ETDEWEB)

    Zamora, L.E.; Perez Alcazar, G.A. [Department of Physics, University of Valle, A.A. 25360, Cali (Colombia); Rojas, Y.A.; Bustos, H. [Department of Physics, University of Tolima, A.A. 546, Ibague (Colombia); Greneche, J.M. [Laboratoire de Physique de l' Etat Condense, UMR CNRS6087, 72085 Le Mans Cedex 9 (France); Oyola Lozano, D.

    2007-07-01

    In this work we report the magnetic and structural properties obtained by Moessbauer spectrometry, Vibrating Sample Magnetometry and X-ray diffraction, of powder of Nd{sub 2}Fe{sub 14}B prepared by mechanical alloying. The mixtures were ball milled during 48 hours and submitted to heat treatments between 500 and 900 C under an argon atmosphere. Structural parameters were derived from high statistics X-ray patterns. The Moessbauer spectra registered at 300 K for samples without heat treatment were fitted by means of a sextet and a hyperfine field distribution, associated to a residual pure iron phase ({alpha}-Fe) and a disordered iron-based phase, respectively. From the spectra at 300 K the formation of the Fe{sub 3}C phase is observed for samples heat treated at 900 C. A quenching above 900 C accelerates the formation of the Fe{sub 3}C phase. The hysteresis loops allow to conclude that these samples behave as soft ferromagnets. (copyright 2007 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  7. Lanthanide (Nd, Gd) compounds with garnet and monazite structures. Powders synthesis by “wet” chemistry to sintering ceramics by Spark Plasma Sintering

    Energy Technology Data Exchange (ETDEWEB)

    Potanina, Ekaterina, E-mail: ekaterina.potanina@list.ru [Department of Solid State Chemistry, Lobachevsky State University of Nizhni Novgorod, National Research University, 23 Prospekt Gagarina, BLDG 2, 603950 Nizhny Novgorod (Russian Federation); Golovkina, Ludmila, E-mail: golovkina_lyudmila@mail.ru [Department of Solid State Chemistry, Lobachevsky State University of Nizhni Novgorod, National Research University, 23 Prospekt Gagarina, BLDG 2, 603950 Nizhny Novgorod (Russian Federation); Orlova, Albina, E-mail: albina.orlova@inbox.ru [Department of Solid State Chemistry, Lobachevsky State University of Nizhni Novgorod, National Research University, 23 Prospekt Gagarina, BLDG 2, 603950 Nizhny Novgorod (Russian Federation); Nokhrin, Aleksey, E-mail: nokhrin@nifti.unn.ru [Research Institute of Physics and Technology, Lobachevsky State University of Nizhni Novgorod, National Research University, 23 Prospekt Gagarina, BLDG 3, 603950 Nizhny Novgorod (Russian Federation); Boldin, Maksim, E-mail: boldin@nifti.unn.ru [Research Institute of Physics and Technology, Lobachevsky State University of Nizhni Novgorod, National Research University, 23 Prospekt Gagarina, BLDG 3, 603950 Nizhny Novgorod (Russian Federation); Sakharov, Nikita, E-mail: nvsaharov@nifti.unn.ru [Research Institute of Physics and Technology, Lobachevsky State University of Nizhni Novgorod, National Research University, 23 Prospekt Gagarina, BLDG 3, 603950 Nizhny Novgorod (Russian Federation)

    2016-05-15

    Complex oxide Y{sub 2.5}Nd{sub 0.5}Al{sub 5}O{sub 12} with garnet structure and phosphates NdPO{sub 4} and GdPO{sub 4} with monazite structure were obtained by using precipitation methods. Ceramics Y{sub 2.5}Nd{sub 0.5}Al{sub 5}O{sub 12} and NdPO{sub 4} were processed by Spark Plasma Sintering (SPS). Relative density more 98%, sintering time did not exceed 8 min, sintering temperature 1330–1390 °C. Leaching rates of elements from ceramics were 10{sup −6}–10{sup −7} g/(cm{sup 2} d). The process of ceramics sintering has two-stage character: the first step of sintering-compaction process is related to the plastic flow of the material, the second step–to the process of grain boundary diffusion and grain growth. - Highlights: • Powders were obtained by precipitation (sol–gel) method. • Ceramics were sintering by Spark Plasma Sintering method (ρ{sub rel} > 98%); shrinkage time does not exceed 8 min. • The process of ceramics sintering has two-stage character.

  8. Clay pigment structure characterisation as a guide for provenance determination--a comparison between laboratory powder micro-XRD and synchrotron radiation XRD.

    Science.gov (United States)

    Švarcová, Silvie; Bezdička, Petr; Hradil, David; Hradilová, Janka; Žižak, Ivo

    2011-01-01

    Application of X-ray diffraction (XRD)-based techniques in the analysis of painted artworks is not only beneficial for indisputable identification of crystal constituents in colour layers, but it can also bring insight in material crystal structure, which can be affected by their geological formation, manufacturing procedure or secondary changes. This knowledge might be helpful for art historic evaluation of an artwork as well as for its conservation. By way of example of kaolinite, we show that classification of its crystal structure order based on XRD data is useful for estimation of its provenance. We found kaolinite in the preparation layer of a Gothic wall painting in a Czech church situated near Karlovy Vary, where there are important kaolin deposits. Comparing reference kaolin materials from eight various Czech deposits, we found that these can be differentiated just according to the kaolinite crystallinity. Within this study, we compared laboratory powder X-ray micro-diffraction (micro-XRD) with synchrotron radiation X-ray diffraction analysing the same real sample. We found that both techniques led to the same results.

  9. Structure and properties of ZnSxSe1-x thin films deposited by thermal evaporation of ZnS and ZnSe powder mixtures

    Science.gov (United States)

    Valeev, R. G.; Romanov, E. A.; Vorobiev, V. L.; Mukhgalin, V. V.; Kriventsov, V. V.; Chukavin, A. I.; Robouch, B. V.

    2015-02-01

    Interest to ZnSxSe1-x alloys is due to their band-gap tunability varying S and Se content. Films of ZnSxSe1-x were grown evaporating ZnS and ZnSe powder mixtures onto SiO2, NaCl, Si and ITO substrates using an original low-cost method. X-ray diffraction patterns and Raman spectroscopy, show that the lattice structure of these films is cubic ZnSe-like, as S atoms replace Se and film compositions have their initial S/Se ratio. Optical absorption spectra show that band gap values increase from 2.25 to 3 eV as x increases, in agreement with the literature. Because S atomic radii are smaller than Se, EXAFS spectra confirm that bond distances and Se coordination numbers decrease as the Se content decreases. The strong deviation from linearity of ZnSe coordination numbers in the ZnSxSe1-x indicate that within this ordered crystal structure strong site occupation preferences occur in the distribution of Se and S ions. The behavior is quantitatively confirmed by the strong deviation from the random Bernoulli distribution of the three sight occupation preference coefficients of the strained tetrahedron model. Actually, the ternary ZnSxSe1-x system is a bi-binary (ZnS+ZnSe) alloy with evanescent formation of ternary configurations throughout the x-range.

  10. The structural phase diagram and oxygen equilibrium partial pressure of YBa 2Cu 3O 6+ x studied by neutron powder diffraction and gas volumetry

    Science.gov (United States)

    Andersen, N. H.; Lebech, B.; Poulsen, H. F.

    1990-12-01

    An experimental technique based on neutron powder diffraction and gas volumetry is presented and used to study the structural phase diagram of YBa 2Cu 3O 6+ x under equilibrium conditions in an extended part of ( x, T)-phase (0.15< x<0.92 and 25° C< T<725°C). Our experimental observations lend strong support to a recent two-dimensional anisotropic next-nearest-neighbour Ising model calculation (the ASYNNNI model) of the basal plane oxygen ordering based of first principle interaction parameters. Simultaneous measurements of the oxygen equilibrium partial pressure show anomalies, one of which proves the thermodynamic stability of the orthorhombic OII double cell structure. Striking similarity with predictions of recent model calculations support that another anomaly may be interpreted to result from local one-dimensional fluctuations in the distribution of oxygen atoms in the basal plane of tetragonal YBCO. Our pressure data also indicate that x=0.92 is a maximum obtainable oxygen concentration for oxygen pressures below 760 Torr.

  11. Sol-gel growth of vanadium dioxide

    International Nuclear Information System (INIS)

    Speck, K.R.

    1990-01-01

    This thesis examines the chemical reactivity of vanadium (IV) tetrakis(t-butoxide) as a precursor for the sol-gel synthesis of vanadium dioxide. Hydrolysis and condensation of the alkoxide was studied by FTIR spectroscopy. Chemical modification of the vanadium tetraalkoxide by alcohol interchange was studied using 51 V NMR and FTIR. Vanadium dioxide thin films and powders were made from vanadium tetrakis(t-butoxide) by standard sol-gel techniques. Post-deposition heating under nitrogen was necessary to transform amorphous gels into vanadium dioxide. Crystallization of films and powders was studied by FTIR, DSC, TGA, and XRD. Gel-derived vanadium dioxide films undergo a reversible semiconductor-to-metal phase transition near 68C, exhibiting characteristic resistive and spectral changes. The electrical resistance decreased by two to three orders of magnitude and the infrared transmission sharply dropped as the material was cycled through this thermally induced phase transition. The sol-gel method was also used to make doped vanadium dioxide films. Films were doped with tungsten and molybdenum ions to effectively lower the temperature at which the transition occurs

  12. Correlation between UO2 powder and pellet quality in PHWR fuel manufacturing

    International Nuclear Information System (INIS)

    Glodeanu, F.; Spinzi, M.; Balan, V.

    1988-01-01

    Natural uranium dioxide fuel for heavy water reactors has a series of very tightly controlled quality factors: Chemical purity, density and microstructures. Although the fabrication history may consistently affect the fuel quality, the quality factor mentioned above are function mainly of the quality of the powder used as raw material. As regards the fulfilment of the requirements for very high density of the pellets, it was found that in a definite technology the raw material plays the decisive part. Except for the powder sinterability, one found other important subtile parameters, such as the degree of agglomeration and structural homogeneity. The fuel microstructure, very important for in-serive performances of the fuel, is related to a great extent to some powder characteristics (homogeneity, sinterability). This is why much stress was laid on UO 2 power quality evaluation both by standard methods and non-conventional ones (agglomeration, microscopy, X-rays). Some of the characteristics defined by product specification, such as powder sinterability, should be better defined to guarantee the final product quality. (orig.)

  13. Insights into the Electronic Structure of Ozone and Sulfur Dioxide from Generalized Valence Bond Theory: Bonding in O3 and SO2.

    Science.gov (United States)

    Takeshita, Tyler Y; Lindquist, Beth A; Dunning, Thom H

    2015-07-16

    There are many well-known differences in the physical and chemical properties of ozone (O3) and sulfur dioxide (SO2). O3 has longer and weaker bonds than O2, whereas SO2 has shorter and stronger bonds than SO. The O-O2 bond is dramatically weaker than the O-SO bond, and the singlet-triplet gap in SO2 is more than double that in O3. In addition, O3 is a very reactive species, while SO2 is far less so. These disparities have been attributed to variations in the amount of diradical character in the two molecules. In this work, we use generalized valence bond (GVB) theory to characterize the electronic structure of ozone and sulfur dioxide, showing O3 does indeed possess significant diradical character, whereas SO2 is effectively a closed shell molecule. The GVB results provide critical insights into the genesis of the observed difference in these two isoelectronic species. SO2 possesses a recoupled pair bond dyad in the a"(π) system, resulting in SO double bonds. The π system of O3, on the other hand, has a lone pair on the central oxygen atom plus a pair of electrons in orbitals on the terminal oxygen atoms that give rise to a relatively weak π interaction.

  14. The effect of phosphorus on the formation of tungsten dioxide: A novel morphology

    International Nuclear Information System (INIS)

    Hegedus, E.; Neugebauer, J.

    1999-01-01

    The industrial production of tungsten is based on the hydrogen reduction of tungsten oxides, ammonium paratungstate (APT) or ammonium tungsten oxide bronze (ATOB). Hydrogen reduction is applied when high purity tungsten is required and when the addition of other elements or compounds (dopants) is desired for modification of the properties of the metal powder. The first stage of the reduction is finished when WO 2 is formed and it seems that the efficient incorporation of the additives starts mainly at this reduction step. The study reported here was undertaken to investigate the effect of phosphorus dope on the morphology of the intermediate tungsten dioxide and analyze its influence on the grain size of the final tungsten metal powder. The authors observed star shaped morphology of WO 2 , a structure which has not been describe in the literature. Contrary to the well-known cauliflower shaped tungsten dioxide, these starlets are not pseudomorphic to the initial ATOB particles; they grow separately and have a great influence on the grain size of the final metal powder

  15. Mechanical milling of a nano structured ductile iron powder under dry, wet and cryogenic atmospheres; Proceso de molturacion mecanica en medio seco, humedo y criogenico de polvo de hierro ductil nanoestructurado

    Energy Technology Data Exchange (ETDEWEB)

    Cinca, N.; Hurtado, E.; Cano, I. G.; Guilemany, J. M.

    2011-07-01

    The main objective of this study, is to obtain an effective particle and grain size reduction of a nano structured iron powder by mechanical milling under different milling media. One of the main challenges in this study is to work with this material of great ductility.The variables of the study to be optimized have been the following: speed of rotation, powder to ball ratio (PBR) and the percentage of control agent to induce an effective powder fracturing in front of cold welding. The powder has been characterized by a Laser Diffraction Particle Size Analyser, scanning electron microscopy (SEM) and transmission electron microscopy (TEM) and, X-ray diffraction.Through the comparative study, it is found that operating under dry milling conditions: there is a more effective particle size reduction of 43 % and grain size reduction of 62 %. In wet conditions has been reduced the amount of oxide, as well as to obtain a more homogenous distribution of the resulting powder. The results under cryogenic media is presented as promising. (Author) 15 refs.

  16. Structure and thermal expansion of Ca9Gd(VO4)7: A combined powder-diffraction and dilatometric study of a Czochralski-grown crystal

    Science.gov (United States)

    Paszkowicz, Wojciech; Shekhovtsov, Alexei; Kosmyna, Miron; Loiko, Pavel; Vilejshikova, Elena; Minikayev, Roman; Romanowski, Przemysław; Wierzchowski, Wojciech; Wieteska, Krzysztof; Paulmann, Carsten; Bryleva, Ekaterina; Belikov, Konstantin; Fitch, Andrew

    2017-11-01

    Materials of the Ca9RE(VO4)7 (CRVO) formula (RE = rare earth) and whitlockite-related structures are considered for applications in optoelectronics, e.g., in white-light emitting diodes and lasers. In the CRVO structure, the RE atoms are known to share the site occupation with Ca atoms at two or three among four Ca sites, with partial occupancy values depending on the choice of the RE atom. In this work, the structure and quality of a Czochralski-grown crystal of this family, Ca9Gd(VO4)7 (CGVO), are studied using X-ray diffraction methods. The room-temperature structure is refined using the powder diffraction data collected at a high-resolution synchrotron beamline ID22 (ESRF, Grenoble); for comparison purposes, a laboratory diffraction pattern was collected and analyzed, as well. The site occupancies are discussed on the basis of comparison with literature data of isostructural synthetic crystals of the CRVO series. The results confirm the previously reported site-occupation scheme and indicate a tendency of the CGVO compound to adopt a Gd-deficient composition. Moreover, the thermal expansion coefficient is determined for CGVO as a function of temperature in the 302-1023 K range using laboratory diffraction data. Additionally, for CGVO and six other single crystals of the same family, thermal expansion is studied in the 298-473 K range, using the dilatometric data. The magnitude and anisotropy of thermal expansion, being of importance for laser applications, are discussed for these materials.

  17. Shock diffraction in alumina powder

    International Nuclear Information System (INIS)

    Venz, G.; Killen, P.D.; Page, N.W.

    1996-01-01

    In order to produce complex shaped components by dynamic compaction of ceramic powders detailed knowledge of their response under shock loading conditions is required. This work attempts to provide data on release effects and shock attenuation in 1 μm and 5 μm α-alumina powders which were compacted to between 85 % and 95 % of the solid phase density by the impact of high velocity steel projectiles. As in previous work, the powder was loaded into large cylindrical dies with horizontal marker layers of a contrasting coloured powder to provide a record of powder displacement in the recovered specimens. After recovery and infiltration with a thermosetting resin the specimens were sectioned and polished to reveal the structure formed by the passage of the projectile and shock wave. Results indicate that the shock pressures generated were of the order of 0.5 to 1.4 GPa and higher, with shock velocities and sound speeds in the ranges 650 to 800 m/s and 350 to 400 m/s respectively

  18. Neutron powder diffraction investigation of magnetic structure and spin reorientation transition of HoFe{sub 1-x}Cr{sub x}O{sub 3} solid solutions

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Xinzhi [Department of Nuclear Physics, China Institute of Atomic Energy, Beijing 102413 (China); Hao, Lijie, E-mail: haolijie@ciae.ac.cn [Department of Nuclear Physics, China Institute of Atomic Energy, Beijing 102413 (China); Liu, Yuntao; Ma, Xiaobai; Meng, Siqin; Li, Yuqing; Gao, Jianbo; Guo, Hao; Han, Wenze; Sun, Kai; Wu, Meimei [Department of Nuclear Physics, China Institute of Atomic Energy, Beijing 102413 (China); Chen, Xiping; Xie, Lei [Institute of Nuclear Physics and Chemistry, CAEP, Mianyang 621900 (China); Klose, Frank [Australian Nuclear Science and Technology Organization, Lucas Heights, New South Wales 2234 (Australia); Department of Physics and Materials Science, The City University of Hong Kong, Hong Kong (China); Chen, Dongfeng, E-mail: dongfeng@ciae.ac.cn [Department of Nuclear Physics, China Institute of Atomic Energy, Beijing 102413 (China)

    2016-11-01

    Orthoferrite solid solution HoFe{sub 1−x}Cr{sub x}O{sub 3} (x=0, 0.2,…,1.0) was synthesized via solid state reaction methods. The crystal structure, magnetism and spin reorientation properties of this system were investigated by X-ray diffraction, neutron powder diffraction and magnetic measurements. For compositions of x≤0.6, the system exhibits similar magnetic properties to HoFeO{sub 3}. With increasing Cr-doping, the system adopts a Γ{sub 4}(G{sub x}A{sub y}F{sub z}) magnetic configuration with a decreased Neel temperature from 640 K to 360 K. A Γ{sub 42} spin reorientation of Fe(Cr){sup 3+} was also observed in this system with an increase in transition temperature from 56 K to about 200 K due to competition between the Fe(Cr)–Fe(Cr) and Ho–Fe(Cr) interactions. For the x≥0.8, the system behaves more like HoCrO{sub 3} which adopts a Γ{sub 2}(F{sub x}C{sub y}G{sub z}) configuration with no spin reorientation below the Neel temperature T{sub N}. Throughout the whole substitution range, we found that the saturated moment of Fe(Cr) was less than the ideal value for a free ion, which implies the existence of spin fluctuation in this system. A systematic magnetic structure variation with Cr-substitution is revealed by Rietveld refinement. A phase diagram combining the results of the magnetic measurements and neutron powder diffraction results was obtained. - Highlights: • With Cr-substitution in the HoFe{sub 1−x}Cr{sub x}O{sub 3} system, A Γ{sub 42} spin reorientation of Fe(Cr){sup 3+} was observed with an increase in transition temperature from 56 K to about 200 K for x=0−0.6. • The saturated moment of Fe(Cr) position was found to be systematically less than the ideal value of free ion, and thus implies the presence of spin quantum fluctuation. • A composition–temperature phase diagram throughout x=0–1 for HoFe{sub 1−x}Cr{sub x}O{sub 3} system was established.

  19. Design of a Uranium Dioxide Spheroidization System

    Science.gov (United States)

    Cavender, Daniel P.; Mireles, Omar R.; Frendi, Abdelkader

    2013-01-01

    The plasma spheroidization system (PSS) is the first process in the development of tungsten-uranium dioxide (W-UO2) fuel cermets. The PSS process improves particle spherocity and surface morphology for coating by chemical vapor deposition (CVD) process. Angular fully dense particles melt in an argon-hydrogen plasma jet at between 32-36 kW, and become spherical due to surface tension. Surrogate CeO2 powder was used in place of UO2 for system and process parameter development. Particles range in size from 100 - 50 microns in diameter. Student s t-test and hypothesis testing of two proportions statistical methods were applied to characterize and compare the spherocity of pre and post process powders. Particle spherocity was determined by irregularity parameter. Processed powders show great than 800% increase in the number of spherical particles over the stock powder with the mean spherocity only mildly improved. It is recommended that powders be processed two-three times in order to reach the desired spherocity, and that process parameters be optimized for a more narrow particles size range. Keywords: spherocity, spheroidization, plasma, uranium-dioxide, cermet, nuclear, propulsion

  20. Reaction mechanisms for enhancing carbon dioxide mineral sequestration

    Science.gov (United States)

    Jarvis, Karalee Ann

    Increasing global temperature resulting from the increased release of carbon dioxide into the atmosphere is one of the greatest problems facing society. Nevertheless, coal plants remain the largest source of electrical energy and carbon dioxide gas. For this reason, researchers are searching for methods to reduce carbon dioxide emissions into the atmosphere from the combustion of coal. Mineral sequestration of carbon dioxide reacted in electrolyte solutions at 185°C and 2200 psi with olivine (magnesium silicate) has been shown to produce environmentally benign carbonates. However, to make this method feasible for industrial applications, the reaction rate needs to be increased. Two methods were employed to increase the rate of mineral sequestration: reactant composition and concentration were altered independently in various runs. The products were analyzed with complete combustion for total carbon content. Crystalline phases in the product were analyzed with Debye-Scherrer X-ray powder diffraction. To understand the reaction mechanism, single crystals of San Carlos Olivine were reacted in two solutions: (0.64 M NaHCO3/1 M NaCl) and (5.5 M KHCO3) and analyzed with scanning electron microscopy (SEM), transmission electron microscopy (TEM), electron energy loss spectroscopy (EELS), and fluctuation electron microscopy (FEM) to study the surface morphology, atomic crystalline structure, composition and amorphous structure. From solution chemistry studies, it was found that increasing the activity of the bicarbonate ion increased the conversion rate of carbon dioxide to magnesite. The fastest conversion, 60% conversion in one hour, occurred in a solution of 5.5 M KHCO3. The reaction product particles, magnesium carbonate, significantly increased in both number density and size on the coupon when the bicarbonate ion activity was increased. During some experiments reaction vessel corrosion also altered the mineral sequestration mechanism. Nickel ions from vessel

  1. Spherical rhenium metal powder

    International Nuclear Information System (INIS)

    Leonhardt, T.; Moore, N.; Hamister, M.

    2001-01-01

    The development of a high-density, spherical rhenium powder (SReP) possessing excellent flow characteristics has enabled the use of advanced processing techniques for the manufacture of rhenium components. The techniques that were investigated were vacuum plasma spraying (VPS), direct-hot isostatic pressing (D-HIP), and various other traditional powder metallurgy processing methods of forming rhenium powder into near-net shaped components. The principal disadvantages of standard rhenium metal powder (RMP) for advanced consolidation applications include: poor flow characteristics; high oxygen content; and low and varying packing densities. SReP will lower costs, reduce processing times, and improve yields when manufacturing powder metallurgy rhenium components. The results of the powder characterization of spherical rhenium powder and the consolidation of the SReP are further discussed. (author)

  2. CVD carbon powders modified by ball milling

    Directory of Open Access Journals (Sweden)

    Kazmierczak Tomasz

    2015-09-01

    Full Text Available Carbon powders produced using a plasma assisted chemical vapor deposition (CVD methods are an interesting subject of research. One of the most interesting methods of synthesizing these powders is using radio frequency plasma. This method, originally used in deposition of carbon films containing different sp2/sp3 ratios, also makes possible to produce carbon structures in the form of powder. Results of research related to the mechanical modification of these powders have been presented. The powders were modified using a planetary ball mill with varying parameters, such as milling speed, time, ball/powder mass ratio and additional liquids. Changes in morphology and particle sizes were measured using scanning electron microscopy and dynamic light scattering. Phase composition was analyzed using Raman spectroscopy. The influence of individual parameters on the modification outcome was estimated using statistical method. The research proved that the size of obtained powders is mostly influenced by the milling speed and the amount of balls. Powders tend to form conglomerates sized up to hundreds of micrometers. Additionally, it is possible to obtain nanopowders with the size around 100 nm. Furthermore, application of additional liquid, i.e. water in the process reduces the graphitization of the powder, which takes place during dry milling.

  3. Spectroscopic studies, theoretical models and structural characterization. II. Synthesis and X-ray powder diffraction of the elpasolites Cs2NaSmCl6

    International Nuclear Information System (INIS)

    Poblete, V.; Acevedo, R.

    1998-01-01

    In this research work, we report the synthesis and structural characterization of the stoichiometric elpasolite Cs 2 NaSmCl 6 . The synthesis was performed under a solid state reaction in nitrogen atmosphere from the chemicals CsCl, NaCl and SmCl 3 weighted stoichiometrically. The best possible crystallization temperature was obtained using thermal studies of the type DTA/TGA (the thermal treatment was allowed to proceed for 2.5 hours at 755 Centigrade, showing a temperature gradient of 10 Centigrade/minute). The structural characterization by powder X-ray diffraction (XDR) indicates that this elpasolite belongs to the Fm 3m (O h 5 ) space group and the optimized structural parameters are as follows: a 0 = 10.8342 Armstrong, V 1271.72 Armstrong 3 , Z=4, M=651.88, D x =3.406 y D exp=3.41 ± 0.01. The profile refinement, using the Rietveld method, allowed us to fit the experimental and the calculated intensities of a total of 32 lines. The above result indicates that the condition R exp 2+ + 3Cl -1 and the counter ions filling the octahedral holes, in full agreement with anti fluorite type crystal. According to the above description, these elpasolite adopt the form (M 1/3 □ 2/3 ) 4 X 2 , where M labels the central metal, X stand for the chlorine ions and □ represent the vacancies, which may accommodate a significant amount of defects without collapsing. This experimental study provides the necessary input to test theoretical models against experimental data. (Author)

  4. Influence of various manufacturing parameters on some characteristics of UO2 powders and their sintering behaviour

    International Nuclear Information System (INIS)

    Mintz, M.H.; Vaknin, Sh.; Kremener, A.; Hadari, Z.

    1977-02-01

    Various parameters in the process of manufacturing uranium dioxide are examined and their influence on the characteristics and sintering behaviour of the powders obtained established. In addition some correlations between the powder aggregates microstructure and their adhesion properties and sintering behaviour are indicated. Shrinkage during the sintering process is also discussed

  5. Structural, magnetic and gas sensing properties of nanosized copper ferrite powder synthesized by sol gel combustion technique

    Energy Technology Data Exchange (ETDEWEB)

    Sumangala, T.P.; Mahender, C. [Department of Metallurgical Engineering and Materials Science, Indian Institute of Technology Bombay, Powai, Mumbai 400076 (India); Barnabe, A. [Université de Toulouse, Institut Carnot CIRIMAT – UMR CNRS-UPS-INP 5085, Université Paul Sabatier, Toulouse 31062 (France); Venkataramani, N. [Department of Metallurgical Engineering and Materials Science, Indian Institute of Technology Bombay, Powai, Mumbai 400076 (India); Prasad, Shiva, E-mail: shiva.pd@gmail.com [Department of Physics, Indian Institute of Technology Bombay, Powai, Mumbai 400076 (India)

    2016-11-15

    Stoichiometric nano sized copper ferrite particles were synthesized by sol gel combustion technique. They were then calcined at various temperatures ranging from 300–800 °C and were either furnace cooled or quenched in liquid nitrogen. A high magnetisation value of 48.2 emu/g signifying the cubic phase of copper ferrite, was obtained for sample quenched to liquid nitrogen temperature from 800 °C. The ethanol sensing response of the samples was studied and a maximum of 86% response was obtained for 500 ppm ethanol in the case of a furnace cooled sample calcined at 800 °C. The chemical sensing is seen to be correlated with the c/a ratio and is best in the case of tetragonal copper ferrite. - Highlights: • One of the first study on ethanol sensing of cubic copper ferrite. • In-situ High temperature XRD done shows phase transition from cubic to tetragonal. • A non-monotonic increase in magnetization was seen with calcination temperature. • A response of 86% was obtained towards 500 ppm ethanol. • Tried to correlate sensing response and ion content in spinel structure.

  6. Gravimetrical and chemical characterization of SiOx structures deposited on fine powders by short plasma exposure in a plasma down stream reactor

    International Nuclear Information System (INIS)

    Spillmann, Adrian; Sonnenfeld, Axel; Rohr, Philipp Rudolf von

    2008-01-01

    The surface of lactose particles was modified by a plasma-enhanced chemical vapor deposition process to improve the flow behavior of the powder. For this, the particulates were treated in a plasma down stream reactor which provides a short (50 ms) and homogeneous exposure to the capacitively coupled RF discharge. The organosilicon monomer hexamethyldisiloxane (HMDSO) was used as a precursor for the formation of SiO x which is deposited on the substrate particle surface. For varying process gas mixtures (O 2 /Ar/HMDSO) and RF power applied, the amount of the deposited material was determined gravimetrically after dissolution of the lactose substrate particles and the chemical composition of the accumulated deposition material was investigated by means of attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopy. The concentration of the deposited SiO x relating to the substrate material was found to be in the range of 0.1 wt.%. Based on the ATR-FTIR analysis, the inorganic, i.e. oxidic SiO x fraction of the obtained deposits was shown to be controllable by varying the process parameters, whilst a relatively large amount of organic structures must be considered.

  7. Morphological and structural characterization of the Zn{sub 0,9}Mn{sub 0,1}O powder synthesized by combustion reaction and Pechini; Caracterizacao estrutural e morfologica de pos de Zn{sub 0,9}Mn{sub 0,1}O sintetizados por reacao de combustao e metodo Pechini

    Energy Technology Data Exchange (ETDEWEB)

    Ribeiro, M A; Torquato, R; Simoes, A N; Costa, A C.F.M.; Gama, L [Universidade Federal de Campina Grande (DEMA/UFCG), PB (Brazil). Dept. de Engenharia dos Materiais; Kiminami, R H.G.A. [Universidade Federal de Sao Carlos (DEMA/UFSCar), SP (Brazil). Dept. de Engenharia de Materiais

    2009-07-01

    Zinc oxide, due to the piezoelectric and electro-optical characteristics, is used in application such as, chemical sensor, varistor, transparent conductive thin film and DMS. The aim of this work is to evaluate and compare structural and morphological characteristics of nanometric powders of Zn{sub 0,9}Mn{sub 0,1}O prepared by chemical synthesis of combustion reaction and Pechini method. The powders were characterized by XRD, SEM and BET. The XRD data shown to both studied method the presence of ZnO phase with hexagonal structure and without second phase. The powder prepared by combustion reaction presented 9% of reduction in crystallinity and 42% of increase in surface area in comparison with the powder prepared by Pechini method. The morphological analysis of the powder showed that both method produce powders with soft agglomerates constituted by nano size particles. (author)

  8. Effects of Combined High Hydrostatic Pressure and Dense Phase Carbon Dioxide on the Activity, Structure and Size of Polyphenoloxidase.

    Science.gov (United States)

    Duong, Trang; Balaban, Murat; Perera, Conrad

    2015-11-01

    High hydrostatic pressure (HHP) may activate undesirable enzymes such as polyphenoloxidase (PPO). Carbon dioxide (CO2 ) addition to HHP could increase enzyme inactivation. We investigated the inactivation of combined HHP and dense phase carbon dioxide process on activity, secondary conformation and size of pure PPO from mushroom. Solutions (2.35μM, in phosphate buffer pH 6.8) were treated with HHP alone (HHP), or 3.6% w/w of CO2 was injected into the package (HHP+CO2). Treatment conditions were 600 MPa, 20 °C, for 1, 3, 5, 7, and 9 min. HHP+CO2 treatment significantly decreased residual enzyme activity (REA) to 30% to 12% after 1 to 9 min, respectively, whereas only HHP had no significant effect. Both HHP and HHP+CO2 treatments caused changes in secondary conformations, however HHP+CO2 changes were more extensive. Alpha-helix fractions were reduced by 32% and 41%, while β sheet, turn and unordered increased by 63% and 213%, 100% and 71%, and 118% and 82% for HHP and HHP+CO2, respectively after 9 min. The protein size in HHP+CO2 samples was 5- to 6-fold larger than that of Control and HHP treatment, and this increase was inversely correlated with REA. The best inactivation kinetics of HHP+CO2 model was the 2-fractional model with 2 simultaneous 1st-order steps, contributing 70% and 30% to original enzyme activity, with k(labile) = 12.15 min(-1) and k(stable) = 0.07 min(-1), respectively. No recovery in activity, secondary conformation and size in all samples were observed after 1-mo storage. Addition of CO2 in HHP treatment can improve enzyme inactivation, and therefore product shelf-life and quality. High hydrostatic pressure (HHP) achieves the safety of foods as a nonthermal method, but it may activate undesirable enzymes resulting in short shelf life due to, for example flavor and color changes. Our study determined that addition of CO2 to HHP has significant effects on enzyme inactivation, secondary conformational and molecular size changes of mushroom PPO

  9. The use of gamma irradiation in preparation of polybutadiene rubber nanopowder; Its effect on particle size, morphology and crosslink structure of the powder

    Science.gov (United States)

    Rezaei Abadchi, Majid; Jalali-Arani, Azam

    2014-02-01

    The aim of this work was the preparation and characterization of polybutadiene rubber (BR) powder by irradiating of rubber lattices using 60Co radiation and spray-drying of them at the appropriate condition. The influences of absorbed dose on the volume swelling ratio, molecular weight between crosslinks, gel fraction, and glass transition temperature of obtained powder were studied. Morphology, size and size distribution of rubber particles were examined by using scanning electron microscopy (SEM) and laser particle size analyzer (LPSA) technique, respectively. Results obtained by LPSA revealed that radiation has no effect on particle size of rubber latex but after drying, adherence properties of rubber particle causes increase in particle size of rubber powder, as shown in SEM photograph. Fourier transform infrared spectroscopy of rubber powders confirmed that with increasing the irradiation dose, characteristic peak corresponds to the >Cdbnd C< double bands decreased. Also Charlesby-Pinner equation was used to evaluate radiation yield.

  10. Method of carbon dioxide-free hydrogen production from hydrocarbon decomposition over metal salts

    Science.gov (United States)

    Erlebacher, Jonah; Gaskey, Bernard

    2017-10-03

    A process to decompose methane into carbon (graphitic powder) and hydrogen (H.sub.2 gas) without secondary production of carbon dioxide, employing a cycle in which a secondary chemical is recycled and reused, is disclosed.

  11. 5-Arylidene derivatives of Meldrum's acid: Synthesis, structural characterization using single crystal and powder crystal X-ray diffraction, and electronic properties

    Science.gov (United States)

    Dey, Tanusri; Ghosh, Soumen; Ghosh, Somnath; Mukherjee, Alok Kumar

    2015-07-01

    Four 5-arylidene derivatives of Meldrum's acid, 5-(4-chlorobenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione (2), 5-(3-hydroxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione (3), 5-(3,4-dimethoxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione (4) and 5-(2,4-dimethoxy benzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione (5) have been synthesized and their crystal structures have been determined using single crystal X-ray diffractometry for 2, 4 and 5 and X-ray powder diffraction for 3. The nature of intermolecular interactions in 2-5 has been analyzed through Hirshfeld surfaces and 2D fingerprint plots. The DFT optimized molecular geometries in 2-5 agree closely with those obtained from the crystallographic studies. The crystal packing in 2-5 exhibits an interplay of Osbnd H⋯O, Csbnd H⋯O, Csbnd H⋯Cl and Csbnd H⋯π (arene) hydrogen bonds and π⋯π interactions, which assemble molecules into three-dimensional architecture in 2, 3 and 5 and two-dimensional framework in 4. The Hirshfeld surface analyses of 2-5, Meldrum's acid (1) and a few related 5-arylidene derivatives of Meldrum's acid retrieved from the Cambridge Structural Database (CSD) indicate that about 85% of the Hirshfeld surface area (72% in 2 where H⋯Cl contribution is about 13%) in this class of compounds are due to H⋯H, O⋯H and C⋯H contacts. The HOMO-LUMO energy gap (>2.2 eV) in 2-5 indicates a significant degree of internal charge transfer within the molecule.

  12. Plasticized Starch Based Bionanocomposites Containing Cellulose Nanowhiskers and Titanium Dioxide Nanoparticles: Study of Structure and Water Vapor Permeability

    Directory of Open Access Journals (Sweden)

    Nasrin Jamshidi Kaljahi

    2014-08-01

    Full Text Available The starch-based films have some disadvantages such as weak mechanical and poor water barrier properties that restrict their applications in food packaging. In the present research, to improve the properties of the starch films, a constant level of citric acid and polyvinyl alcohol (PVA (10% with different amounts of glycerol (GLY as a lubricating agent, crystal nanowhiskers (CNW and titanium dioxide (TiO2 nanoparticles were used together. Finally, the effects of these compounds on permeability properties of the obtained starch-based bionanocomposites were studied and their optimum values were determined by central composite design of response surface methodology (RSM. The results of X-Ray diffraction (XRD test showed that at low levels of TiO2 and CNW there was no diffractogram peak obtained. However, at high levels of TiO2 and CNW there emerged distinct and sharp peak which was attributed to greater crystalline region and probably non-homogeneity in particle distribution. The Fourier transmission infrared (FTIR data showed that addition of CNW and TiO2 increased hydrogen binding between the nanofillers and biopolymer matrix. The effects of TiO2 and CNW concentrations as quadratic and glycerol concentration as linear and quadratic were significant on water vapor permeability (WVP. The optimum levels of TiO2, CNW and GLY for obtaining minimum WVP corresponded to 0.118, 0.3 g and 1.06 mL, respectively.

  13. Study of a QCM Dimethyl Methylphosphonate Sensor Based on a ZnO-Modified Nanowire-Structured Manganese Dioxide Film

    Directory of Open Access Journals (Sweden)

    Guang Li

    2010-09-01

    Full Text Available Sensitive, selective and fast detection of chemical warfare agents is necessary for anti-terrorism purposes. In our search for functional materials sensitive to dimethyl methylphosphonate (DMMP, a simulant of sarin and other toxic organophosphorus compounds, we found that zinc oxide (ZnO modification potentially enhances the absorption of DMMP on a manganese dioxide (MnO2 surface. The adsorption behavior of DMMP was evaluated through the detection of tiny organophosphonate compounds with quartz crystal microbalance (QCM sensors coated with ZnO-modified MnO2 nanofibers and pure MnO2 nanofibers. Experimental results indicated that the QCM sensor coated with ZnO-modified nanostructured MnO2 film exhibited much higher sensitivity and better selectivity in comparison with the one coated with pure MnO2 nanofiber film. Therefore, the DMMP sensor developed with this composite nanostructured material should possess excellent selectivity and reasonable sensitivity towards the tiny gaseous DMMP species.

  14. SAF line powder operations

    International Nuclear Information System (INIS)

    Frederickson, J.R.; Horgos, R.M.

    1983-10-01

    An automated nuclear fuel fabrication line is being designed for installation in the Fuels and Materials Examination Facility (FMEF) near Richland, Washington. The fabrication line will consist of seven major process systems: Receiving and Powder Preparation; Powder Conditioning; Pressing and Boat Loading; Debinding, Sintering, and Property Adjustment; Boat Transport; Pellet Inspection and Finishing; and Pin Operations. Fuel powder processing through pellet pressing will be discussed in this paper

  15. Two layer powder pressing

    International Nuclear Information System (INIS)

    Schreiner, H.

    1979-01-01

    First, significance and advantages of sintered materials consisting of two layers are pointed out. By means of the two layer powder pressing technique metal powders are formed resulting in compacts with high accuracy of shape and mass. Attributes of basic powders, different filling methods and pressing techniques are discussed. The described technique is supposed to find further applications in the field of two layer compacts in the near future

  16. Operation whey powder

    International Nuclear Information System (INIS)

    Brunner, E.

    1987-01-01

    The odyssey of the contaminated whey powder finally has come to an end, and the 5000 tonnes of whey now are designated for decontamination by means of an ion exchange technique. The article throws light upon the political and economic reasons that sent the whey powder off on a chaotic journey. It is worth mentioning in this context that the natural radioactivity of inorganic fertilizers is much higher than that of the whey powder in question. (HP) [de

  17. Pharmaceutical powder compaction technology

    National Research Council Canada - National Science Library

    Çelik, Metin

    2011-01-01

    ... through the compaction formulation process and application. Compaction of powder constituents both active ingredient and excipients is examined to ensure consistent and reproducible disintegration and dispersion profiles...

  18. Development of nano-structured silicon carbide ceramics: from synthesis of the powder to sintered ceramics; Elaboration de ceramiques nanostructurees en carbure de silicium: de la synthese de la poudre a la ceramique frittee

    Energy Technology Data Exchange (ETDEWEB)

    Reau, A.

    2008-12-15

    The materials used inside future nuclear reactors will be subjected to very high temperature and neutrons flux. Silicon carbide, in the form of SiC{sub f}/SiC nano-structured composite is potentially interesting for this type of application. It is again necessary to verify the contribution of nano-structure on the behaviour of this material under irradiation. To verify the feasibility and determine the properties of the matrix, it was envisaged to produce it by powder metallurgy from SiC nanoparticles. The objective is to obtain a fully dense nano-structured SiC ceramic without additives. For that, a parametric study of the phases of synthesis and agglomeration was carried out, the objective of which is to determine the active mechanisms and the influence of the key parameters. Thus, studying the nano-powder synthesis by laser pyrolysis allowed to produce, with high production rates, homogeneous batches of SiC nanoparticles whose size can be adjusted between 15 and 90 nm. These powders have been densified by an innovating method: Spark Plasma Sintering (SPS). The study and the optimization of the key parameters allowed the densification of silicon carbide ceramic without sintering aids while preserving the nano-structure of material. The thermal and mechanical properties of final materials were studied in order to determine the influence of the microstructure on their properties. (author)

  19. Fabrication of TiC-TiO{sub 2} composite powders by thermal plasma oxidation of titanium carbide powder; Tanka chitan funmatsu no plasma sanka hanno ni yori seiseishita TiC-TiO{sub 2} fukugo funmatsu

    Energy Technology Data Exchange (ETDEWEB)

    Ishigaki, T.; Li, Y.; Haneda, H. [National institute for Research Inorganic materials, Tsukuba (Japan); Kataoka, E. [Showa Cabot Supermetals K.K., Tokyo (Japan)

    2000-09-15

    TiC-TiO{sub 2} composite powders were prepared by in-flight oxidation of titanium carbide powder in RF induction thermal plasmas. Original titanium carbide powder of 20 - 38 {mu}m in particle size was axially injected into the center of argon-oxygen plasma. The powders were partially spheroidized and evaporated through the plasma treatment. X-ray diffraction of plasma-treated powders showed the formation of titanium dioxides, both rutile and anatase phases. The phase content of the plasma-prepared powders strongly depended on the plasma conditions, such as the plasma generating pressure and the oxygen flow rate in plasma generating gas. Especially, the increase of oxygen flow rate in plasma gas gave rise to the increase of heat transfer from plasma to powder particles, exothermic heat of oxidation reaction and cooling rate of plasma, giving the increase of spheroidization ratio, formation ratio of titanium dioxides, and content of anatase phases. (author)

  20. CCDC 1505386: Experimental Crystal Structure Determination : catena-[bis(mu-pyrazine)-(mu-fluoro)-(mu-oxido)-tetrafluoro-nickel-niobium carbon dioxide

    KAUST Repository

    Bhatt, Prashant

    2016-01-01

    An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

  1. Stabilization of high-temperature antimony oxide with molybdenum incorporation. Structure of Mo-doped Sb2O4 by powder neutron diffraction and extended X-ray absorption fine structure spectroscopy

    International Nuclear Information System (INIS)

    Teller, R.G.; Antonio, M.R.; Brazdil, J.F.; Mehicic, M.; Grasselli, R.K.

    1985-01-01

    It has been discovered that the presence of MoO 3 lowers the α-β transition in Sb 2 O 4 from 935 to 850 0 C with concurrent dissolution of Mo in the high-temperature (β) form. The structure of Mo-doped β-Sb 2 O 4 has been investigated by powder neutron diffraction, extended X-ray absorption fine structure (EXAFS) and Raman spectroscopies, and scanning-electron microscopy (SEM). Cell parameters: a = 12.0571 (12) A, b = 4.8335 (1) A, c = 5.3838 (6) A, β = 105.579 (5) 0 , monoclinic, space group C2/c, Z = 4. Combining the results of these techniques leads to the hypothesis that Mo is located interstitially within channels of electron density in the Sb 2 O 4 structure with concurrent vacancy of two Sb/sup III/ atoms. There is no apparent oxygen deficiency in the resulting structure. 25 references, 6 figures, 3 tables

  2. Sintered aluminium powders

    International Nuclear Information System (INIS)

    Stepanova, M.G.; Matveev, B.I.

    1974-01-01

    The mechanical and physical properties of aluminium powder alloys and the various methods employed to produce them are considered. Data are given on the hardening of the alloys SAP and SPAK-4, as well as the powder-alloy system Al-Cr-Zr. (L.M.)

  3. Structure and phase composition of the titanium dioxide thin films deposited on the surface of the metallized track membranes from polyethyleneterephthalate by reactive magnetron sputtering

    International Nuclear Information System (INIS)

    Artoshina, O.V.; Semina, V.K.; Kochnev, Yu.K.; Nechaev, A.N.; Apel', P.Yu.; Milovich, F.O.; Iskhakova, L.D.; Ermakov, R.P.; Rossouw, A.; Gorberg, B.L.

    2016-01-01

    Thin films of TiO 2 , Ag, Ag-TiO 2 , Cu-TiO 2 deposited on the surface of polyethyleneterephthalate track membranes (TM) were investigated. Metals and oxide deposition was carried out by the method of vacuum reactive sputtering with application of a planar magnetron. The microstructure of samples was studied by the scanning and transmission electron microscopy (TEM) techniques. The elemental composition of coatings was investigated using energy-dispersive spectroscopy. For the identification of phase structure, X-ray diffraction phase analysis was used at various temperatures, and the XRD crystal structure patterns of the samples were obtained by the selected area electron diffraction (SAED) in TEM analysis. It was found that titanium dioxide on the TM surface can be present in three forms: nanocrystals of tetragonal anatase with impurity of rhombic brookite and the so-called X-ray amorphous TiO 2 . Cubical Cu 2 O was identified in TM metallized by copper. Optical properties of composite membranes and films were investigated by the method of absorption spectroscopy. Calculation of energies of the direct and indirect allowed optical transitions was carried out based on the analysis of absorption spectra of the studied composite membranes. [ru

  4. Stability analysis and structural rules of titanium dioxide clusters (TiO2)n with n = 1-9

    International Nuclear Information System (INIS)

    Zhang Weiwei; Han Ye; Yao Shuyu; Sun Haiqing

    2011-01-01

    Highlights: · We investigated the structure and stability of (TiO 2 ) n clusters with n = 1-9. · Some initial structures are introduced and proved to be the real global minimum. · We summarized the structural rules for small (TiO 2 ) n clusters. · The bonding features for the energy increment or decrement of the clusters are investigated. · A general shift of stability and reactivity with size for (TiO 2 ) n clusters. - Abstract: Atomic clusters have been considered as models for fundamental mechanistic insight into complex surfaces and catalysts. The structure and stability of (TiO 2 ) n clusters with n = 1-9 are investigated using the b3lyp hybrid density functional method in this paper. Some of the clusters are proposed initially and proved to be the real global minima. The stability and band gap of the clusters as a function of size are also investigated. The structural rules of the clusters are first summarized. The lowest-lying (TiO 2 ) n isomers tend to form some compact rather than quasi-linear or circular structures. The oxygen atom in 4-fold coordination and the titanium atom in 4-fold coordination favor the cluster stability. The 5-fold coordinated Ti-atom, the Ti-Ti bond and the terminal Ti-O bond lead to stability penalty for the clusters. No evidence for a regular variation in stability or reactivity with size of the clusters has shown. The structural rules can serve as guiding factors for formation research and structure design of (TiO 2 ) n and other transition metal oxide clusters.

  5. Functional coordination polymers and MOFs from reactions of the lanthanides and barium with azole ligands. Synthesis and characterization with a focus on structure determination from X-ray powder diffraction data

    International Nuclear Information System (INIS)

    Rybak, Jens-Christoph

    2012-01-01

    This thesis deals with the synthesis and characterization of coordination polymers and MOFs of the lanthanides and barium with different azolic N-heterocycles. A total of 18 new organic-inorganic hybrid materials, as well as a series of co-doped compounds is presented. Besides the structural characterization of these materials from X-ray diffraction powder data, the focus of the investigations is on the thermal and photoluminescence spectroscopic properties. The lanthanides La - Lu, except Eu and Pm, can be reacted with 1H-1,2,3-triazole to give the series of the isotypic dense 3D-MOFs 3 ∞ [Ln(Tz * ) 3 ]. Investigation of the photoluminescence properties of these compounds reveals a broad range of different luminescence phenomena, including the first observation of an intrinsic inner-filter effect of the Ln 3+ -ions. The structure of this isotypic series of compounds was solved and refined from X-ray powder diffraction data. A 2D-polymorph of these compounds 2 ∞ [Ln(Tz * ) 3 ], is observed for Ln = Sm, Tb and was characterized by single crystal data. The reaction of Eu with 1H-benzotriazole yields the 1D-coordination polymer 1 ∞ [Eu(Btz) 2 (BtzH) 2 ], which is the first example of a divalent rare earth benzotriazolate. Analysis of the thermal properties reveals the transformation to the 3D-MOF 3 ∞ [Eu(Btz) 2 ] at higher temperatures. The structure of this material was also solved from X-ray powder diffraction data. Investigation of the photoluminescence properties of the co-doped compounds 3 ∞ [Ba 1-x Eu x (Im) 2 ], which were obtained from reaction of the salt-like hydrides BaH 2 and EuH 2 with imidazole, show that the synthesis of luminescent MOF materials by co-doping of non-luminescent networks with luminescence centers is possible. The structure of these materials was solved from X-ray powder diffraction data of the undoped compound 3 ∞ [BaEu(Im) 2 ]. Structural characterization of materials from X-ray powder diffraction data is an important aspect

  6. Advances in food powder agglomeration engineering.

    Science.gov (United States)

    Cuq, B; Gaiani, C; Turchiuli, C; Galet, L; Scher, J; Jeantet, R; Mandato, S; Petit, J; Murrieta-Pazos, I; Barkouti, A; Schuck, P; Rondet, E; Delalonde, M; Dumoulin, E; Delaplace, G; Ruiz, T

    2013-01-01

    Food powders are used in everyday life in many ways and offer technological solutions to the problem of food production. The natural origin of food powders, diversity in their chemical composition, variability of the raw materials, heterogeneity of the native structures, and physicochemical reactivity under hydrothermal stresses contribute to the complexity in their behavior. Food powder agglomeration has recently been considered according to a multiscale approach, which is followed in the chapter layout: (i) at the particle scale, by a presentation of particle properties and surface reactivity in connection with the agglomeration mechanisms, (ii) at the mechanisms scale, by describing the structuration dynamics of agglomerates, (iii) at the process scale, by a presentation of agglomeration technologies and sensors and by studying the stress transmission mode in the powder bed, and finally (iv) by an integration of the acquired knowledge, thanks to a dimensional analysis carried out at each scale. Copyright © 2013 Elsevier Inc. All rights reserved.

  7. Structural analysis of platinum-palladium nanoparticles dispersed on titanium dioxide to evaluate cyclo-olefines reactivity

    Energy Technology Data Exchange (ETDEWEB)

    Castillo, N., E-mail: necastillo@yahoo.co [Facultad de Quimica, Universidad Nacional Autonoma de Mexico, Edificio B, 04510 Mexico DF (Mexico); Centro de Investigacion y de Estudios Avanzados del IPN, Depto. de Fisica, Av. IPN 2508, C.P. 07360, Mexico DF (Mexico); Perez, R. [Instituto de Ciencias Fisicas, Universidad Nacional Autonoma de Mexico, Campus Morelos, 62251 Cuernavaca Morelos (Mexico); Martinez-Ortiz, M.J.; Diaz-Barriga, L. [Instituto Politecnico Nacional - ESIQIE, UPALM Edif. 7, 07738 Mexico DF (Mexico); Garcia, L. [Instituto Politecnico Nacional - ESIT, UPALM, 07738 Mexico DF (Mexico); Conde-Gallardo, A. [Centro de Investigacion y de Estudios Avanzados del IPN, Depto. de Fisica, Av. IPN 2508, C.P. 07360, Mexico DF (Mexico)

    2010-04-16

    Structural and chemical properties were correlated to explain catalytic behavior of Pt-Pd/TiO{sub 2} in a cyclo-olefin reaction. Bimetallic nanoparticles supported on TiO{sub 2} were prepared by wetness impregnation techniques at different concentrations of Pt and Pd {approx}1 metallic wt%. The physicochemical properties of these metallic nanoparticles supported on TiO{sub 2} were characterized by N{sub 2} physisorption (Brunauer-Emmett-Teller-BET), X-ray diffraction (XRD), and transmission electron microscopy (TEM). The relationship between chemical composition, physicochemical properties and particle size on the cyclo-olefin reaction was then studied. XRD and TEM results show that these nanoparticles are composed of Pt-Pd with FFC structure (a = 0.389-0.391 nm) supported on TiO{sub 2} (anatase-like structure), and the materials present tetragonal structure nanoparticles (a = 0.37842, b = 0.37842, c = 0.95146 nm). Samples with higher contents of platinum and particle sizes of 4.2 nm show the highest catalytic conversion in cyclo-olefins reaction. Finally, structural examinations of Pt{sub x}-Pd{sub (1-x)}/TiO{sub 2} based system was then conducted to study the effects of metals on the nanostructure of the materials.

  8. Structural analysis of platinum-palladium nanoparticles dispersed on titanium dioxide to evaluate cyclo-olefines reactivity

    International Nuclear Information System (INIS)

    Castillo, N.; Perez, R.; Martinez-Ortiz, M.J.; Diaz-Barriga, L.; Garcia, L.; Conde-Gallardo, A.

    2010-01-01

    Structural and chemical properties were correlated to explain catalytic behavior of Pt-Pd/TiO 2 in a cyclo-olefin reaction. Bimetallic nanoparticles supported on TiO 2 were prepared by wetness impregnation techniques at different concentrations of Pt and Pd ∼1 metallic wt%. The physicochemical properties of these metallic nanoparticles supported on TiO 2 were characterized by N 2 physisorption (Brunauer-Emmett-Teller-BET), X-ray diffraction (XRD), and transmission electron microscopy (TEM). The relationship between chemical composition, physicochemical properties and particle size on the cyclo-olefin reaction was then studied. XRD and TEM results show that these nanoparticles are composed of Pt-Pd with FFC structure (a = 0.389-0.391 nm) supported on TiO 2 (anatase-like structure), and the materials present tetragonal structure nanoparticles (a = 0.37842, b = 0.37842, c = 0.95146 nm). Samples with higher contents of platinum and particle sizes of 4.2 nm show the highest catalytic conversion in cyclo-olefins reaction. Finally, structural examinations of Pt x -Pd (1-x) /TiO 2 based system was then conducted to study the effects of metals on the nanostructure of the materials.

  9. Structural properties of a family of hydrogen-bonded co-crystals formed between gemfibrozil and hydroxy derivatives of t-butylamine, determined directly from powder X-ray diffraction data

    International Nuclear Information System (INIS)

    Cheung, Eugene Y.; David, Sarah E.; Harris, Kenneth D.M.; Conway, Barbara R.; Timmins, Peter

    2007-01-01

    We report the formation and structural properties of co-crystals containing gemfibrozil and hydroxy derivatives of t-butylamine H 2 NC(CH 3 ) 3- n (CH 2 OH) n , with n=0, 1, 2 and 3. In each case, a 1:1 co-crystal is formed, with transfer of a proton from the carboxylic acid group of gemfibrozil to the amino group of the t-butylamine derivative. All of the co-crystal materials prepared are polycrystalline powders, and do not contain single crystals of suitable size and/or quality for single crystal X-ray diffraction studies. Structure determination of these materials has been carried out directly from powder X-ray diffraction data, using the direct-space Genetic Algorithm technique for structure solution followed by Rietveld refinement. The structural chemistry of this series of co-crystal materials reveals well-defined structural trends within the first three members of the family (n=0, 1, 2), but significantly contrasting structural properties for the member with n=3. - Graphical abstract: Structural properties of a family of co-crystals containing gemfibrozil and hydroxy derivatives of t-butylamine are discussed and rationalized

  10. Measurement of loose powder density

    International Nuclear Information System (INIS)

    Akhtar, S.; Ali, A.; Haider, A.; Farooque, M.

    2011-01-01

    Powder metallurgy is a conventional technique for making engineering articles from powders. Main objective is to produce final products with the highest possible uniform density, which depends on the initial loose powder characteristics. Producing, handling, characterizing and compacting materials in loose powder form are part of the manufacturing processes. Density of loose metallic or ceramic powder is an important parameter for die design. Loose powder density is required for calculating the exact mass of powder to fill the die cavity for producing intended green density of the powder compact. To fulfill this requirement of powder metallurgical processing, a loose powder density meter as per ASTM standards is designed and fabricated for measurement of density. The density of free flowing metallic powders can be determined using Hall flow meter funnel and density cup of 25 cm/sup 3/ volume. Density of metal powders like cobalt, manganese, spherical bronze and pure iron is measured and results are obtained with 99.9% accuracy. (author)

  11. Engineering the Surface/Interface Structures of Titanium Dioxide Micro and Nano Architectures towards Environmental and Electrochemical Applications

    DEFF Research Database (Denmark)

    Wang, Xiaoliang; Zhao, Yanyan; Mølhave, Kristian

    2017-01-01

    advances in the surface and interface engineering and applications in environmental and electrochemical applications. We analyze the advantages of surface/interface engineered TiO₂ micro and nano structures, and present the principles and growth mechanisms of TiO₂ nanostructures via different strategies...

  12. Electronic structure and core-level spectra of light actinide dioxides in the dynamical mean-field theory

    Czech Academy of Sciences Publication Activity Database

    Kolorenč, Jindřich; Shick, Alexander; Lichtenstein, A.I.

    2015-01-01

    Roč. 92, č. 8 (2015), "085125-1"-"085125-10" ISSN 1098-0121 R&D Projects: GA ČR GC15-05872J Institutional support: RVO:68378271 Keywords : electronic-structure calculations * dynamical mean-field theory * Mott insulators * actinides * oxides * photoemission Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.736, year: 2014

  13. Extremely fine structured cathode for solid oxide fuel cells using Sr-doped LaMnO3 and Y2O3-stabilized ZrO2 nano-composite powder synthesized by spray pyrolysis

    Science.gov (United States)

    Shimada, Hiroyuki; Yamaguchi, Toshiaki; Sumi, Hirofumi; Nomura, Katsuhiro; Yamaguchi, Yuki; Fujishiro, Yoshinobu

    2017-02-01

    A solid oxide fuel cell (SOFC) for high power density operation was developed with a microstructure-controlled cathode using a nano-composite powder of Sr-doped LaMnO3 (LSM) and Y2O3-stabilized ZrO2 (YSZ) synthesized by spray pyrolysis. The individual LSM-YSZ nano-composite particles, formed by crystalline and amorphous nano-size LSM and YSZ particles, showed spherical morphology with uniform particle size. The use of this powder for cathode material led to an extremely fine microstructure, in which all the LSM and YSZ grains (approximately 100-200 nm) were highly dispersed and formed their own network structures. This microstructure was due to the two phase electrode structure control using the powder, namely, nano-order level in each particle and micro-order level between particles. An anode-supported SOFC with the LSM-YSZ cathode using humidified H2 as fuel and ambient air as oxidant exhibited high power densities, such as 1.29 W cm-2 under a voltage of 0.75 V and a maximum power density of 2.65 W cm-2 at 800 °C. Also, the SOFC could be stably operated for 250 h with no degradation, even at a high temperature of 800 °C.

  14. Strength-Ductility Property Maps of Powder Metallurgy (PM) Ti-6Al-4V Alloy: A Critical Review of Processing-Structure-Property Relationships

    Science.gov (United States)

    Kumar, P.; Chandran, K. S. Ravi

    2017-05-01

    A comprehensive assessment of tensile properties of powder metallurgical (PM) processed Ti-6Al-4V alloy, through the mapping of strength-ductility property domains, is performed in this review. Tensile property data of PM Ti-6Al-4V alloys made from blended element (BE) and pre-alloyed powders including that additive manufactured (AM) from powders, as well as that made using titanium hydride powders, have been mapped in the form of strength-ductility domains. Based on this, porosity and microstructure have been identified as the dominant variables controlling both the strength and the tensile ductility of the final consolidated materials. The major finding is that tensile ductility of the PM titanium is most sensitive to the presence of pores. The significance of extreme-sized pores or defects in inducing large variations in ductility is emphasized. The tensile strength, however, has been found to depend only weakly on the porosity. The effect of microstructure on properties is masked by the variations in porosity and to some extent by the oxygen level. It is shown that any meaningful comparison of the microstructure can only be made under a constant porosity or density level. The beneficial effect of a refined microstructure is also brought out by logically organizing the data in terms of microstructure groups. The advantages of new processes, using titanium hydride powder to produce PM titanium alloys, in simultaneously increasing strength and ductility, are also highlighted. The tensile properties of AM Ti-6Al-4V alloys are also brought to light, in comparison with the other PM and wrought alloys, through the strength-ductility maps.

  15. Structural and microstructural changes during anion exchange of CoAl layered double hydroxides. An in situ X-ray powder diffraction study

    International Nuclear Information System (INIS)

    Johnsen, Rune E.; Krumeich, Frank; Norby, Poul

    2010-01-01

    Anion-exchange processes in cobalt-aluminium layered double hydroxides (LDHs) were studied by in situ synchrotron X-ray powder diffraction (XRPD). The processes investigated were CoAl-CO 3 →CoAl-Cl →CoAl-CO 3 , CoAl-Cl→CoAl-NO 3 and CoAl-CO 3 →CoAl-SO 4 . The XRPD data show that the CoAl-CO 3 →CoAl-Cl process is a two-phase transformation, where the amount of the CoAl-CO 3 phase decreases exponentially while that of the CoAl-Cl phase increases exponentially. Energy-dispersive X-ray spectroscopy (EDXS) studies of a partially chloride-exchanged CoAl-CO 3 LDH sample along with in situ XRPD data suggested that the individual particles in the CoAl-CO 3 sample are generally anion-exchanged with chloride one at a time. In contrast with the CoAl-CO 3 →CoAl-Cl transformation, the XRPD data show that the reverse CoAl-Cl→CoAl-CO 3 process is a one-phase transformation. Rietveld refinements indicate that the occupancy factors of the carbon and oxygen sites of the carbonate group increase, while that of the chloride site decreases. In the CoAl-Cl→CoAl-NO 3 anion-exchange reaction, the XRPD patterns reveal the existence of two intermediate phases in addition to the initial CoAl-Cl and final CoAl-NO 3 phases. The in situ data indicate that one of these intermediates is a mixed nitrate- and chloride-based LDH phase, where the disorder decreases as the nitrate content increases. The XRPD data of the partial CoAl-CO 3 →CoAl-SO 4 anion-exchange reaction show that the process is a two-phase transformation involving a sulfate-containing LDH with a 1H polytype structure. (orig.)

  16. Influence of structure of carrier (silica gel) on texture and catalytic properties of vanadium catalysts for sulfur dioxide oxidation

    International Nuclear Information System (INIS)

    Simonova, L.G.; Fenelonov, V.B.; Dzis'ko, V.A.; Noskova, S.P.; Kryukova, G.N.; Litvak, G.S.

    1982-01-01

    The influence of initial porous structure of a carrier-silica gel on texture and catalytic properties of vanadium catalysts is considered. It is shown that low thermal stability of the carrier results not only in considerable decrease of the catalyst surface during heat treatment but also in blocking part of active component in locked pores which accounts for the activity decrease in kinetic region and formation of active component forms that can not be extracted by acid

  17. Effects of ablation energy and post-irradiation on the structure and properties of titanium dioxide nanomaterials

    Energy Technology Data Exchange (ETDEWEB)

    Guillén, G. García [Universidad Autónoma de Nuevo León, Facultad de Ingeniería Mecánica y Eléctrica, San Nicolás de los Garza, Nuevo León 66455, México (Mexico); Shaji, S., E-mail: sshajis@yahoo.com [Universidad Autónoma de Nuevo León, Facultad de Ingeniería Mecánica y Eléctrica, San Nicolás de los Garza, Nuevo León 66455, México (Mexico); Universidad Autónoma de Nuevo León-CIIDIT, Apodaca, Nuevo León, México (Mexico); Palma, M. I. Mendivil [Centro de Investigación en Materiales Avanzados (CIMAV), Unidad Monterrey, PIIT, Apodaca, Nuevo León, México (Mexico); Avellaneda, D.; Castillo, G.A.; Roy, T.K. Das [Universidad Autónoma de Nuevo León, Facultad de Ingeniería Mecánica y Eléctrica, San Nicolás de los Garza, Nuevo León 66455, México (Mexico); and others

    2017-05-31

    Highlights: • Highlights • TiO{sub 2} nanomaterials were prepared by PLALM. • Characterized these nanomaterials using TEM, XPS, XRD, optical and luminescence measurements. • Morphology of these nanomaterials were dependent on ablation wavelength, fluence and post-irradiation time. • Laser post irradiation modified the size, morphology and structure of these TiO{sub 2} nanomaterials. - Abstract: Nanomaterials of titanium oxide were prepared by pulsed laser ablation of a titanium metal target in distilled water. The ablation was performed at different laser energy (fluence) using a nanosecond pulsed Nd:YAG laser output of 1064 and 532 nm. A post-irradiation of titanium oxide nanocolloids obtained by ablation using 532 nm was carried out to explore its effects on the structure and properties. Analysis of morphology, crystalline phase, elemental composition, chemical state, optical and luminescent properties were performed using Transmission Electron Microscopy (TEM), X-Ray Diffraction (XRD), X-Ray Photoelectron Spectroscopy (XPS), UV–-vis absorption spectroscopy and room temperature photoluminescence spectroscopy. It was found that titanium oxide nanomaterial morphologies and optical properties were determined by ablation wavelength and fluence. Further, nanocolloids prepared by 532 nm ablation showed a crystalline phase change by laser post-irradiation. The results showed that pulsed laser ablation in liquid as well as post-irradiation were effective in modifying the final structure and properties of titanium oxide nanocolloids.

  18. Effects of ablation energy and post-irradiation on the structure and properties of titanium dioxide nanomaterials

    International Nuclear Information System (INIS)

    Guillén, G. García; Shaji, S.; Palma, M. I. Mendivil; Avellaneda, D.; Castillo, G.A.; Roy, T.K. Das

    2017-01-01

    Highlights: • Highlights • TiO_2 nanomaterials were prepared by PLALM. • Characterized these nanomaterials using TEM, XPS, XRD, optical and luminescence measurements. • Morphology of these nanomaterials were dependent on ablation wavelength, fluence and post-irradiation time. • Laser post irradiation modified the size, morphology and structure of these TiO_2 nanomaterials. - Abstract: Nanomaterials of titanium oxide were prepared by pulsed laser ablation of a titanium metal target in distilled water. The ablation was performed at different laser energy (fluence) using a nanosecond pulsed Nd:YAG laser output of 1064 and 532 nm. A post-irradiation of titanium oxide nanocolloids obtained by ablation using 532 nm was carried out to explore its effects on the structure and properties. Analysis of morphology, crystalline phase, elemental composition, chemical state, optical and luminescent properties were performed using Transmission Electron Microscopy (TEM), X-Ray Diffraction (XRD), X-Ray Photoelectron Spectroscopy (XPS), UV–-vis absorption spectroscopy and room temperature photoluminescence spectroscopy. It was found that titanium oxide nanomaterial morphologies and optical properties were determined by ablation wavelength and fluence. Further, nanocolloids prepared by 532 nm ablation showed a crystalline phase change by laser post-irradiation. The results showed that pulsed laser ablation in liquid as well as post-irradiation were effective in modifying the final structure and properties of titanium oxide nanocolloids.

  19. (TECTONA GRANDIS LEAF POWDER

    Directory of Open Access Journals (Sweden)

    Yash Mishra

    2015-01-01

    Full Text Available In this study, the adsorption potential of Teak (Tectona grandis leaf powder (TLP toremove Methylene blue (MB and Malachite Green (MG dye molecules from aqueoussolution was investigated. Batch experiments were conducted to evaluate the influenceof operational parameters such as, pH (2−9, adsorbent dosage (1−7 g/L, contact time(15−150 minutes and initial dye concentration (20−120 mg/L at stirring speed of 150rpm for the adsorption of MB and MG on TLP. Maximum removal efficiency of 98.4%and 95.1% was achieved for MB and MG dye, respectively. The experimentalequilibrium data were analysed using Langmuir, Freundlich and Temkin isothermmodels and it was found that, it fitted well to the Freundlich isotherm model. Thesurface structure and morphology of the adsorbent was characterized using scanningelectron microscopy (SEM and the presence of functional groups and its interactionwith the dye molecules were analysed using Fourier transform infrared spectroscopy(FTIR. Based on the investigation, it has been demonstrated that the teak leaf powderhas good potential for effective adsorption of methylene blue and malachite green dye.

  20. Hybrid-DFT  +  V w method for band structure calculation of semiconducting transition metal compounds: the case of cerium dioxide.

    Science.gov (United States)

    Ivády, Viktor; Gali, Adam; Abrikosov, Igor A

    2017-11-15

    Hybrid functionals' non-local exchange-correlation potential contains a derivative discontinuity that improves on standard semi-local density functional theory (DFT) band gaps. Moreover, by careful parameterization, hybrid functionals can provide self-interaction reduced description of selected states. On the other hand, the uniform description of all the electronic states of a given system is a known drawback of these functionals that causes varying accuracy in the description of states with different degrees of localization. This limitation can be remedied by the orbital dependent exact exchange extension of hybrid functionals; the hybrid-DFT  +  V w method (Ivády et al 2014 Phys. Rev. B 90 035146). Based on the analogy of quasi-particle equations and hybrid-DFT single particle equations, here we demonstrate that parameters of hybrid-DFT  +  V w functional can be determined from approximate theoretical quasi-particle spectra without any fitting to experiment. The proposed method is illustrated on the charge self-consistent electronic structure calculation for cerium dioxide where itinerant valence states interact with well-localized 4f atomic like states, making this system challenging for conventional methods, either hybrid-DFT or LDA  +  U, and therefore allowing for a demonstration of the advantages of the proposed scheme.

  1. Molecular structure and infrared spectra of the monomeric 3-(methoxy)-1,2-benzisothiazole 1,1-dioxide (methyl pseudosaccharyl ether)

    Science.gov (United States)

    Kaczor, Agnieszka; Almeida, Rui; Gómez-Zavaglia, Andrea; Cristiano, Maria de Lurdes S.; Fausto, Rui

    2008-03-01

    The computational description of saccharin (1,2-benzisothiazol-3(2 H)-one-1,1-dioxide) and its derivatives is difficult due to the presence of hypervalent S dbnd O bonds in their structures. Therefore, in this investigation, the HF, DFT/B3LYP and MP2 methods were used to predict the geometry and the infrared spectrum of the saccharyl derivative 3-(methoxy)-1,2-benzisothiazole 1,1-dioxide (MBID). Their relative predictive capabilities were then evaluated by comparing the obtained results with experimentally available data, namely the newly obtained IR spectra of MBID isolated in low-temperature inert matrices. For each method, different basis sets [6-31++G(d,p), 6-31++G(3df,3pd), 6-311++G(d,p), 6-311++G(2df,2pd), 6-311++G(3df,3pd), aug-cc-pVDZ and aug-cc-pVTZ] were considered. The best overall agreement has been achieved at the B3LYP/6-311++G(3df,3pd) and B3LYP/6-31++G(3df,3pd) levels of theory, showing the adequacy of the B3LYP functional to describe the investigated properties in this type of compounds and stressing the relevance of including high-order polarization functions in the basis set. The chosen level of theory [B3LYP/6-311++G(3df,3pd)] was applied to analyze the vibrational spectra and the geometry of the title molecule. In agreement with the experiment, the C sbnd O sbnd C linkage in MBID is predicted by these calculations to exhibit considerably short (1.320 Å) and long (1.442 Å) (N dbnd )C sbnd O and (H 3)C sbnd O bonds, respectively, and a hybridization of the central oxygen atom close to sp 2 (the C sbnd O sbnd C angle is predicted to be ca. 117°). This C sbnd O sbnd C bonding pattern fits the well-known high reactivity of MBID upon thermal rearrangement, which has been shown to result in easy selective [1,3']-isomerization of the compound.

  2. Production of rare earth polishing powders in Russia

    International Nuclear Information System (INIS)

    Kosynkin, V.D.; Ivanov, E.N.; Kotrekhov, V.A.; Shtutza, M.G.; Grabko, A.I.

    1998-01-01

    Full text: Russia is a potent producer of polishing powders made of rare earth material presented as an extensive and well developed base. Considering the reserves, the facilities predisposition and the polishing agent (cerium dioxide) content the chief mineral source is loparite, apatite and monazite. The production of rare earth polishing powders is based on specially developed continuous technological processes, corrosion-proof equipment, ensuring a high and stable production quality. A special attention is paid to the radiation safety of the powders. The initial material for the rare earth polishing powders based on loparite is the fusion cake of rare earth chlorides obtained at that mineral chlorination. The technology of the polishing powder production from the REE fusion cake includes the following stages: dissolution of the REE fusion cake chlorides; - thorough cleaning of the REE fusion cake chlorides from radioactive and non-rare-earth impurities; chemical precipitation of REE carbonates, obtaining middlings with proper material and granulometric composition, thermal treatment of precipitated carbonates followed with the operations of drying and roasting; classification of roasted oxides, obtaining end products - polishing powders. The production of fluorine-containing powders includes the stage of their fluorination after the stage of carbonate precipitation. The stabilizing doping can be introduced both into the middlings during one of the technological process of powders manufacturing and into the end product. Rare earth polishing powders are manufactured in Russia by the Share Holding Company 'Chepetz Mechanical Plant' (ChMP Co.), the city of Glasov. The plant produces a number of polishing materials, such as; polishing powder Optinol, containing at least 50% by mass of cerium dioxide, used in the mass production of optical and other articles; polishing powder Optinol-10 with doping to improve the sedimentary and aggregate stability of the solid phase

  3. Microlith-based Structured Sorbent for Carbon Dioxide, Humidity, and Trace Contaminant Control in Manned Space Habitats

    Science.gov (United States)

    Junaedi, Christian; Roychoudhury, SUbir; Howard, David F.; Perry, Jay L.; Knox, James C.

    2011-01-01

    To support continued manned space exploration, the development of atmosphere revitalization systems that are lightweight, compact, durable, and power efficient is a key challenge. The systems should be adaptable for use in a variety of habitats and should offer operational functionality to either expel removed constituents or capture them for closedloop recovery. As mission durations increase and exploration goals reach beyond low earth orbit, the need for regenerable adsorption processes for continuous removal of CO2 and trace contaminants from cabin air becomes critical. Precision Combustion, Inc. (PCI) and NASA Marshall (MSFC) have been developing an Engineered Structured Sorbents (ESS) approach based on PCI s patented Microlith technology to meet the requirements of future, extended human spaceflight explorations. This technology offers the inherent performance and safety attributes of zeolite and other sorbents with greater structural integrity, regenerability, and process control, thereby providing potential durability and efficiency improvements over current state-of-the-art systems. The major advantages of the ESS explored in this study are realized through the use of metal substrates to provide structural integrity (i.e., less partition of sorbents) and enhanced thermal control during the sorption process. The Microlith technology also offers a unique internal resistive heating capability that shows potential for short regeneration time and reduced power requirement compared to conventional systems. This paper presents the design, development, and performance results of the integrated adsorber modules for removing CO2, water vapor, and trace chemical contaminants. A related effort that utilizes the adsorber modules for sorption of toxic industrial chemicals is also discussed. Finally, the development of a 4-person two-leg ESS system for continuous CO2 removal is also presented.

  4. Optical and structural characterization od titanium dioxide films used for construction of dye-sensitized solar cells

    International Nuclear Information System (INIS)

    Ivanovska, Tanja

    2012-01-01

    The dye-sensitized solar cells are the most serious concept that could replace the silicon solar cells. These are low-cost photovoltaic, and represent a technology which could seriously decrease the cost of the electrical energy they produce. The dye-sensitized solar cells are composed of several layers of materials that belong to the group of inorganic semiconductors. For the efficiency improvement of these cells, there are two basic concepts of research regarding the construction materials. On one side, investigation of new materials that will, as a result of their physical and electrochemical characteristics, increase the cell efficiency, and on the other side, use of materials that will contribute to the long term stability of the cell in atmospheric conditions. As a part of this Master thesis, compact and meso porous Ti(>2 films for dye- sensitized solar cells have been prepared. The compact Ti0 2 films were deposited with the technique of spray pyrolysis, and the preparation of the meso porous films was made with a blade casting technique. The optical and structural analysis and characterization of the films was done with optical spectroscopy in the visible and ultraviolet spectral region (UV- Vis), Raman spectroscopy and atomic force microscopy (AFM). The crystal structure of the films, surface uniformity, thickness and grain size dependence on the deposition parameters was investigated, this led to calculation of the optical constants for the compact films, as well as the determination of the electron transitions and the determination of the bang gap energy. Also regarding the structure and porosity of the meso porous films, characterization of the quality of the film depending on the chemical composition of the paste used for deposition was made. As a result of the preformed investigations, through defining the structural and optical parameters of quality compact and meso porous TiC>2 films for dye-sensitized solar cells, the optimal parameters for film

  5. Importance of halogen···halogen contacts for the structural and magnetic properties of CuX2(pyrazine-N,N′-dioxide)(H2O)2 (X = Cl and Br).

    Science.gov (United States)

    Schlueter, John A; Park, Hyunsoo; Halder, Gregory J; Armand, William R; Dunmars, Cortney; Chapman, Karena W; Manson, Jamie L; Singleton, John; McDonald, Ross; Plonczak, Alex; Kang, Jinhee; Lee, Chaghoon; Whangbo, Myung-Hwan; Lancaster, Tom; Steele, Andrew J; Franke, Isabel; Wright, Jack D; Blundell, Stephen J; Pratt, Francis L; deGeorge, Joseph; Turnbull, Mark M; Landee, Christopher P

    2012-02-20

    The structural and magnetic properties of the newly crystallized CuX(2)(pyzO)(H(2)O)(2) (X = Cl, Br; pyzO = pyrazine-N,N'-dioxide) coordination polymers are reported. These isostructural compounds crystallize in the monoclinic space group C2/c with, at 150 K, a = 17.0515(7) Å, b = 5.5560(2) Å, c = 10.4254(5) Å, β = 115.400(2)°, and V = 892.21(7) Å(3) for X = Cl and a = 17.3457(8) Å, b = 5.6766(3) Å, c = 10.6979(5) Å, β = 115.593(2)°, and V = 950.01(8) Å(3) for X = Br. Their crystal structure is characterized by one-dimensional chains of Cu(2+) ions linked through bidentate pyzO ligands. These chains are joined together through OH···O hydrogen bonds between the water ligands and pyzO oxygen atoms and Cu-X···X-Cu contacts. Bulk magnetic susceptibility measurements at ambient pressure show a broad maximum at 7 (Cl) and 28 K (Br) that is indicative of short-range magnetic correlations. The dominant spin exchange is the Cu-X···X-Cu supersuperexchange because the magnetic orbital of the Cu(2+) ion is contained in the CuX(2)(H(2)O)(2) plane and the X···X contact distances are short. The magnetic data were fitted to a Heisenberg 1D uniform antiferromagnetic chain model with J(1D)/k(B) = -11.1(1) (Cl) and -45.9(1) K (Br). Magnetization saturates at fields of 16.1(3) (Cl) and 66.7(5) T (Br), from which J(1D) is determined to be -11.5(2) (Cl) and -46.4(5) K (Br). For the Br analog the pressure dependence of the magnetic susceptibility indicates a gradual increase in the magnitude of J(1D)/k(B) up to -51.2 K at 0.84 GPa, suggesting a shortening of the Br···Br contact distance under pressure. At higher pressure X-ray powder diffraction data indicates a structural phase transition at ∼3.5 GPa. Muon-spin relaxation measurements indicate that CuCl(2)(pyzO)(H(2)O)(2) is magnetically ordered with T(N) = 1.06(1) K, while the signature for long-range magnetic order in CuBr(2)(pyzO)(H(2)O)(2) was much less definitive down to 0.26 K. The results for the Cu

  6. POWDER COAT APPLICATIONS

    Science.gov (United States)

    The report discusses an investigation of critical factors that affect the use of powder coatings on the environment, cost, quality, and production. The investigation involved a small business representative working with the National Defense Center for Environmental Excellence (ND...

  7. OIL SOLUTIONS POWDER

    Science.gov (United States)

    Technical product bulletin: aka OIL SOLUTIONS POWDER, SPILL GREEN LS, this miscellaneous oil spill control agent used in cleanups initially behaves like a synthetic sorbent, then as a solidifier as the molecular microencapsulating process occurs.

  8. Effects of Cr and Fe co-doping on structural, optical, electrical and magnetic properties of titanium dioxide (TiO2

    Directory of Open Access Journals (Sweden)

    Waseem Salma

    2015-09-01

    Full Text Available A series of Ti0.9Fe0.1-xCrxO2 (where x = 0.0, 0.02, 0.04, 0.6, 0.08, 0.10 was synthesized using the powder metallurgy route. The structural, morphological, magnetic, optical and electrical properties were investigated by X-ray diffractometry (XRD, Raman spectroscopy, scanning electron microscopy (SEM, vibrating sample magnetometry (VSM, UV-Vis spec­troscopy and four probe technique, respectively. The rutile phase was confirmed by XRD analysis which was also verified by Raman spectroscopy. It was observed that the grain size increased as the concentration of Cr increased. M-H loops ex­tracted from VSM analysis revealed anti-ferromagnetic, weak ferromagnetic and paramagnetic behaviors at room temperature. The band gap energy and resistivity measurements exhibited the semiconducting nature of Ti0.9Fe0.1-xCrxO2 based diluted magnetic semiconductors.

  9. Structural study of CaMn{sub 1−x}Mo{sub x}O{sub 3} (0.08 ≤ x ≤ 0.12) system by neutron powder diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Supelano, G.I., E-mail: ivan.supelano@uptc.edu.co [Grupo Física de Materiales, Escuela de Física, Universidad Pedagógica y Tecnológica de Colombia, Tunja (Colombia); Parra Vargas, C.A.; Barón-González, A.J. [Grupo Física de Materiales, Escuela de Física, Universidad Pedagógica y Tecnológica de Colombia, Tunja (Colombia); Sarmiento Santos, A. [Grupo Superficies Electroquímica y Corrosión, Escuela de Física, Universidad Pedagógica y Tecnológica de Colombia, Tunja (Colombia); Frontera, C. [Institut de Ciència de Materials de Barcelona, CSIC, Campus Universitari de Bellaterra, E-08193, Bellaterra, Barcelona (Spain)

    2016-08-15

    Neutron powder diffraction experiments and magnetic measurements in polycrystalline CaMn{sub 1−x}Mo{sub x}O{sub 3} (x = 0.08, 0.10, 0.12) point towards a possible charge and orbital order in this system. The analysis of structural and magnetic data show that the samples present structural phase transformation from Pnma to P2{sub 1}/m space group and the system has a C-type antiferromagnetic configuration at low temperature. A detailed analysis of the bond distances signals a small Jahn-Teller distortion of only one (x = 0.08) or of the two Mn ions (x = 0.10, 0.12). We identify the partially occupied e{sub g} orbitals and this explains the C-type magnetic structure. - Highlights: • CaMn{sub 1−x}Mo{sub x}O{sub 3} (x = 0.08, 0.10, 0.12) is investigated by neutron powder diffraction. • Analysis of individual Mn-O distances demonstrates the apparition of orbital order. • By symmetry analysis, we find that the low temperature magnetic structure is C-type. • Magnetic interactions foreseen by the orbital order explain the magnetic structure.

  10. Growth and structure of titanium dioxide on the transition metal surfaces Re(10-10) and Ru(0001); Wachstum und Struktur von Titandioxid auf den Uebergangsmetalloberflaechen Re(10-10) und Ru(0001)

    Energy Technology Data Exchange (ETDEWEB)

    Rosenthal, D.

    2007-03-15

    In this work, we studied the growth and structure of titanium dioxide films on two morphologically different transition metal surfaces, namely the trench-like rhenium(10-10) and the hexagonal ruthenium(0001). The following methods were used: X-ray photoelectron and Auger-electron spectroscopy (XPS and AES), low energy electron diffraction (LEED), low energy Helium-ion scattering (LEIS), scanning tunneling microscopy (STM) and X-ray diffraction (XRD). Titanium dioxide films on rhenium(10-10) were synthesized by co-adsorption of titanium vapor in an oxygen atmosphere up to a thickness of 500 Aa and investigated by means of LEED, LEIS, XPS and XRD. In order to calibrate the titanium flux, the growth mode of titanium on the Re(10-10) surface was determined by means of LEIS, XPS and LEED. The growth of titanium dioxide on the hexagonal ruthenium(0001) surface was investigated by means of STM, XPS and AES. Due to the alloying affinity of Ti and Ru, a titanium oxide film pre-grown at low temperature was finally/fully oxidized at elevated temperature and pressure. First experiments concerning the growth of gold on these titanium dioxide films are presented. One important result of the ongoing work is the imaging of gold clusters with 2-5 atoms in the troughs of rutile(110) beside the typically observed clusters with 3 nm diameter by STM. (orig.)

  11. Magnetically responsive enzyme powders

    Energy Technology Data Exchange (ETDEWEB)

    Pospiskova, Kristyna, E-mail: kristyna.pospiskova@upol.cz [Regional Centre of Advanced Technologies and Materials, Palacky University, Slechtitelu 11, 783 71 Olomouc (Czech Republic); Safarik, Ivo, E-mail: ivosaf@yahoo.com [Regional Centre of Advanced Technologies and Materials, Palacky University, Slechtitelu 11, 783 71 Olomouc (Czech Republic); Department of Nanobiotechnology, Institute of Nanobiology and Structural Biology of GCRC, Na Sadkach 7, 370 05 Ceske Budejovice (Czech Republic)

    2015-04-15

    Powdered enzymes were transformed into their insoluble magnetic derivatives retaining their catalytic activity. Enzyme powders (e.g., trypsin and lipase) were suspended in various liquid media not allowing their solubilization (e.g., saturated ammonium sulfate and highly concentrated polyethylene glycol solutions, ethanol, methanol, 2-propanol) and subsequently cross-linked with glutaraldehyde. Magnetic modification was successfully performed at low temperature in a freezer (−20 °C) using magnetic iron oxides nano- and microparticles prepared by microwave-assisted synthesis from ferrous sulfate. Magnetized cross-linked enzyme powders were stable at least for two months in water suspension without leakage of fixed magnetic particles. Operational stability of magnetically responsive enzymes during eight repeated reaction cycles was generally without loss of enzyme activity. Separation of magnetically modified cross-linked powdered enzymes from reaction mixtures was significantly simplified due to their magnetic properties. - Highlights: • Cross-linked enzyme powders were prepared in various liquid media. • Insoluble enzymes were magnetized using iron oxides particles. • Magnetic iron oxides particles were prepared by microwave-assisted synthesis. • Magnetic modification was performed under low (freezing) temperature. • Cross-linked powdered trypsin and lipase can be used repeatedly for reaction.

  12. Synthesis of battery grade reduced silver powder

    International Nuclear Information System (INIS)

    Qadeer, R.; Hameed, M.; Ikram, S.; Munir, A.

    2002-01-01

    Process for production of battery grade reduced silver powder, an active positive material for zinc-silver oxide batteries, having specific characteristics has been optimized and the synthesized reduced silver powder was characterized. Results reveal that the values of bulk density (1.25 0.1 g/cm3) and activity (73.27 %) of synthesized reduced silver powder lies within the recommended range for use as battery material. It has purity ≥ 98% and contains Fe and Cu as traces in the concentration range of 30 5 ppm and 15 7 ppm respectively. Others determined values of surface and pores parameters are: surface area 2.6 .4 m2/g: pore volume 3.10 cm3/g: pore diameter 0.043 mu m and porosity 20%. XRD studies reveal that reduced silver powder has a cubic structure. (author)

  13. Investigating the structural changes of uranium dioxide dependent on additives, Phase I - Uranium-oxide system from structural-phase aspect; Ispitivanje strukturnih promena kod urandioksida u zavisnosti od aditiva, I faza - Sistem Uran-kiseonik sa strukturno-faznog aspekta

    Energy Technology Data Exchange (ETDEWEB)

    Manojlovic, Lj [Institute of Nuclear Sciences Boris Kidric, Laboratorija za reaktorske materijale, Vinca, Beograd (Serbia and Montenegro)

    1962-12-15

    Having in mind the complex structure of the system uranium-oxygen, and that experimental studies of this system lead to controversial conclusions, an extensive review and analysis of the papers published on this subject were needed. This review wold be very useful for interpreting the expected structural changes of the uranium dioxide dependent on the additives.

  14. The influence of hydrostatic pressure on the electronic structure and optical properties of tin dioxide: A first-principle study

    International Nuclear Information System (INIS)

    Cai Lugang; Liu Famin; Zhang Dian; Zhong Wenwu

    2013-01-01

    The evolutions of electronic structure and optical properties of SnO 2 under hydrostatic pressure are studied theoretically using first-principle calculations. The calculation results show that the energy band gap of SnO 2 expands with increasing pressure, and the relationship between them can be fitted well by a second order polynomial expression. The complex dielectric functions are calculated and it is found that its imaginary part moves to higher photon energy levels with increasing pressure; meanwhile the static dielectric function constant decreases correspondingly. The dependences of other optical properties, such as the reflectivity spectra and loss function, on the hydrostatic pressure are also calculated and obtained, and the relationships between the optical properties and hydrostatic pressure are discussed and analyzed.

  15. Densification kinetics and structure formation during the high-pressure sintering of Al2O3-TiN powder systems

    Energy Technology Data Exchange (ETDEWEB)

    Neshpor, V.S.; Barashkov, G.A.; Nikitiuk, A.F.

    1986-04-01

    Specimens of alumina of varying specific surface and a composite material containing 80 pct alpha-Al2O3 and 20 pct TiN were sintered at 5 GPa for 30-480 s in the temperature range 1650-1750 K. It is found that the densification process is particularly intensive during the first 30-60 s. Under the conditions investigated, alpha-Al2O3 powder exhibits higher densification rates and final density (100 percent) than the ultradisperse TiN powder, whose final density is 96 percent. The results of the study suggest that densification is achieved through particle fragmentation and slip. Noticeable grain growth is observed for alumina only when the sintering time exceeds 2 min. 7 references.

  16. Characteristics of Inconel Powders for Powder-Bed Additive Manufacturing

    Directory of Open Access Journals (Sweden)

    Quy Bau Nguyen

    2017-10-01

    Full Text Available In this study, the flow characteristics and behaviors of virgin and recycled Inconel powder for powder-bed additive manufacturing (AM were studied using different powder characterization techniques. The results revealed that the particle size distribution (PSD for the selective laser melting (SLM process is typically in the range from 15 μm to 63 μm. The flow rate of virgin Inconel powder is around 28 s·(50 g−1. In addition, the packing density was found to be 60%. The rheological test results indicate that the virgin powder has reasonably good flowability compared with the recycled powder. The inter-relation between the powder characteristics is discussed herein. A propeller was successfully printed using the powder. The results suggest that Inconel powder is suitable for AM and can be a good reference for researchers who attempt to produce AM powders.

  17. Structural and microstructural changes during anion exchange of CoAl layered double hydroxides: an in situ X-ray powder diffraction study

    DEFF Research Database (Denmark)

    Johnsen, Rune; Krumeich, Frank; Norby, Poul

    2010-01-01

    Anion-exchange processes in cobalt-aluminium layered double hydroxides (LDHs) were studied by in situ synchrotron X-ray powder diffraction (XRPD). The processes investigated were CoAl-CO3 CoAl-Cl CoAl-CO3, CoAl-Cl CoAl-NO3 and CoAl-CO3 CoAl-SO4. The XRPD data show that the CoAl-CO3 CoAl-Cl process...

  18. Nano structural Features of Silver Nanoparticles Powder Synthesized through Concurrent Formation of the Nano sized Particles of Both Starch and Silver

    International Nuclear Information System (INIS)

    Hebeish, A.; El-Rafie, M.H.; El-Sheikh, M.A.; El-Naggar, M.E.

    2013-01-01

    Green innovative strategy was developed to accomplish silver nanoparticles formation of starch-silver nanoparticles (St-AgNPs) in the powder form. Thus, St-AgNPs were synthesized through concurrent formation of the nano sized particles of both starch and silver. The alkali dissolved starch acts as reducing agent for silver ions and as stabilizing agent for the formed AgNPs. The chemical reduction process occurred in water bath under high-speed homogenizer. After completion of the reaction, the colloidal solution of AgNPs coated with alkali dissolved starch was cooled and precipitated using ethanol. The powder precipitate was collected by centrifugation, then washed, and dried; St-AgNPs powder was characterized using state-of-the-art facilities including UV-vis spectroscopy, Transmission Electron Microscopy (TEM), particle size analyzer (PS), Polydispersity index (PdI), Zeta potential (ZP), XRD, FT-IR, EDX, and TGA. TEM and XRD indicate that the average size of pure AgNPs does not exceed 20 nm with spherical shape and high concentration of AgNPs (30000 ppm). The results obtained from TGA indicates that the higher thermal stability of starch coated AgNPS than that of starch nanoparticles alone. In addition to the data obtained from EDX which reveals the presence of AgNPs and the data obtained from particle size analyzer and zeta potential determination indicate that the good uniformity and the highly stability of St-AgNPs).

  19. Structural development and kinetic analysis of PbTiO3 powders processed at low-temperature via new sol-gel approach

    Science.gov (United States)

    Bel-Hadj-Tahar, Radhouane; Abboud, Mohamed

    2018-04-01

    The synthesis of crystalline lead titanate powder by a generic low-temperature sol-gel approach is developed. Acetoin was added as ligand, instead of the commonly used alkanolamines, to ensure total dissolution of the precursor compounds. The feasibility of the acetoin-Ti isopropoxide complex as a new precursor of PbTiO3 perovskite particles via sol-gel method has been demonstrated. No excess lead has been introduced. Nanometric PbTiO3 crystallites have been formed at 400 °C under atmospheric pressure from titanium isopropoxide and lead acetate in alcoholic solution by remarkably low activation energy of crystallization process of 90 kJ mol-1. The powders show tetragonal lattice and dendritic morphology. In addition to the effect of heat-treatment temperature, time, and atmosphere, the sol chemistry particularly influenced the phase composition, particle size, and particle morphology. The use of different ligands significantly modified powder morphology. The extent of the crystallization was quantitatively evaluated by differential thermal analysis and analyzed by Johnson-Mehl-Avrami approach. The crystallization followed two rate regimes depending on the interval of the crystallized fraction.

  20. PRODUCTION OF METAL CHEMICAL WELDING ADDITIVE WITH NANODISPERSED PARTICLES OF TITANIUM DIOXIDE

    Directory of Open Access Journals (Sweden)

    BOLDYREV Alexander Mikhaylovich

    2013-12-01

    Full Text Available When welding bridge structures automatic welding under a gumboil layer with metal chemical additive (MCA is widely applied in the modern bridge building. MCA consists of a chopped welding wire (granulated material, which is powdered by modifying chemical additive of titanium dioxide (TiO₂ in the cylindrical mixer «drunk cask». Chemical composition of all welding materials including welding wire, gumboil, electrodes, are strictly normalized and controlled. However, the existing technology of producing MCA doesn’t allow precise controlling of its structure under working conditions and that causes an impact on the stability of welded connections properties. Therefore the aim of this work is to develop a technology to produce stable MCA structure. The paper compares the existing and proposed manufacturing techniques of the metal chemical additive (MCA which is applied in automatic welding of butt connections for bridge structures. It is shown that production of MCA in a high-energy planetary mill provides more stable structure of the additive introduced into a welded joint. The granulometric analysis of the powder TiO₂ showed that when processing MCA in a planetary mill TiO₂ particles are crashed to nanodimensional order. This process is accompanied by crushing of granulated material too. The proposed method for production of MCA in a planetary mill provides stronger cohesion of dioxide with the granulate surface and, as a consequence, more stable MCA chemical structure. Application of MCA which has been mechanical intensified in a planetary mill, increases stability of mechanical properties, if compare with applied technology, in single-order by breaking point and almost twice by impact viscosity.

  1. Formation of modified TbCu{sub 7} and Th{sub 2}Zn{sub 17} type structures during annealing of mechanical-alloyed Sm-Fe powders

    Energy Technology Data Exchange (ETDEWEB)

    Teresiak, A.; Kubis, M.; Mattern, N.; Wolf, M.; Mueller, K.-H. [Inst. fuer Festkoerper- und Werkstofforschung, Dresden (Germany)

    1998-06-26

    Compounds with the nominal composition near Sm{sub 2}Fe{sub 17} were prepared by mechanical alloying starting from the elemental powders and subsequent annealing at temperatures, T{sub A}, between 600 C and 900 C. For crystal structure investigations of the non-equilibrium phases formed at various temperatures, XRD methods with following Rietveld analysis were applied. For T{sub A} between 600 C and 750 C a modified TbCu{sub 7}-type structure of space group P6/mmm was found, in which the Fe(2c) site is replaced by the partially (1/3) and randomly occupied Fe(6l) site. Its approximate composition is SmFe{sub 8.8-9.0}. For T{sub A} between 800 C to 900 C a disordered modified Th{sub 2}Zn{sub 17} structure (space group R anti 3m) was found that is formed by introducing additional randomly occupied Fe (6c) and Sm(3a) positions, respectively. The degree of order of Sm atoms and Fe-dumbbells along the c-direction increases with increasing T{sub A}. A decrease in the Fe concentration in the cell is observed for increasing T{sub A}. The completely ordered stoichiometric Th{sub 2}Zn{sub 17}-type structure could not be reached by annealing samples prepared from the ball-milled elemental powders. (orig.) 20 refs.

  2. Neutron Powder Diffraction and Constrained Refinement

    DEFF Research Database (Denmark)

    Pawley, G. S.; Mackenzie, Gordon A.; Dietrich, O. W.

    1977-01-01

    The first use of a new program, EDINP, is reported. This program allows the constrained refinement of molecules in a crystal structure with neutron diffraction powder data. The structures of p-C6F4Br2 and p-C6F4I2 are determined by packing considerations and then refined with EDINP. Refinement is...

  3. Thermal and Physical Properties of Plutonium Dioxide Produced from the Oxidation of Metal: a Data Summary

    Energy Technology Data Exchange (ETDEWEB)

    Wayne, David M. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2014-01-13

    The ARIES Program at the Los Alamos National Laboratory removes plutonium metal from decommissioned nuclear weapons, and converts it to plutonium dioxide in a specially-designed Direct Metal Oxidation furnace. The plutonium dioxide is analyzed for specific surface area, particle size distribution, and moisture content. The purpose of these analyses is to certify that the plutonium dioxide powder meets or exceeds the specifications of the end-user, and the specifications for the packaging and transport of nuclear materials. Analytical results from plutonium dioxide from ARIES development activities, from ARIES production activities, from muffle furnace oxidation of metal, and from metal that was oxidized over a lengthy time interval in air at room temperature, are presented. The processes studied produce plutonium dioxide powder with distinct differences in measured properties, indicating the significant influence of oxidation conditions on physical properties.

  4. Comparative studies of industrial grade carbon black powders

    Energy Technology Data Exchange (ETDEWEB)

    Chawla, Komal, E-mail: komalchawla.rs@gmail.com; Chauhan, Alok P. S., E-mail: chauhan.alok@gmail.com, E-mail: alok.chauhan@alumni.stonybrook.edu [Department of Physics and Material Science and Engineering, Jaypee Institute of Information Technology, A-10, Sector-62, Noida-201307, UP, India. (India)

    2016-05-06

    Comparative studies of two dissimilar industrial grade Carbon Black (CB) powders (N375 and N405) were conducted. The structure, surface area and particle size are the three important characteristics of CB powder that determine their processability and application as filler in preparing rubber compounds. The powders were characterized for their structure using dibutyl phthalate absorption (DBPA), particle size via laser particle size analyzer and surface area by nitrogen adsorption method. The structural characterization showed that N405 had lower DBPA in comparison to N375, confirming low structure of N405 grade CB powder. It was observed from the particle size analysis that N375 was coarser than N405 grade CB. The total surface area values were determined by the BET method based on the cross sectional area of the nitrogen molecule. N375, a coarse grade CB powder with high structure, depicted less surface area as compared to N405.

  5. Uticaj brzine depozicije praha na mehaničke karakteristike i strukturu APS-NiCr/Al prevlake / Effect of the powder deposition rate on the mechanical properties and the structure of the APS-NiCr/Al coating

    Directory of Open Access Journals (Sweden)

    Mihailo R. Mrdak

    2010-10-01

    Full Text Available U radu su prikazani rezultati ispitivanja atmosferskih plazma-sprej prevlaka APS-NiCr/Al. Kompozitni prah NiCr/Al koji se sastoji od NiCr čestica obloženih finim česticama Al u procesu depozicije omogućuje egzotermnu reakciju. Reakcija ovih metala dovodi do formiranja samovezujućih NiCrAl prevlaka koje poseduju jedinstvene kombinacije osobina. Radi dobijanja najboljih strukturnih i mehaničkih karakteristika izvršena je optimizacija parametara depozicije. U ovom istraživanju urađene su tri grupe uzoraka prevlake NiCrAl sa različitim brzinama depozicije praha da bi se dobili depoziti velike čvrstoće i žilavosti. Kod prve grupe uzoraka brzina depozicije praha bila je 50 g/min, kod druge 40 g/min, a kod treće 30 g/min. Procena osobina depozita rađena je ispitivanjem mikrotvrdoće metodom HV0.3 i čvrstoće spoja ispitivanjem na zatezanje. Metalografska procena strukture rađena je tehnikom svetlosne mikroskopije. Verifikovane prevlake primenjene su za zaštitu i revitalizaciju delova turbomlaznih motora izloženih oksidaciji na povišenim temperaturama. / The paper presents the results of the examination of atmospheric plasma spraying of APS-NiCr/Al coatings. Composite NiCr/Al powders, composed of NiCr particles coated with fine Al particles, enable an exothermic reaction during the deposition process. The exothermic reaction of these metals results in the formation of selfbonding NiCrAl coatings with a unique combination of properties. For the purpose of obtaining excellent structural and mechanical properties, the deposition parameters were optimized. In this study, three groups of NiCrAl coating samples with different powder deposition rate were made to get deposits of greater strength and toughness. In the first group of samples, the deposition rate was 50g/min, in the second group the powder deposition rate was 40 g/ min. while in the third group it was 30 g/min. The assessment of the properties of deposits was made by the HV0

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

    Directory of Open Access Journals (Sweden)

    Michelle A Smith

    2015-04-01

    Full Text Available Titanium dioxide (TiO 2 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.

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

    Science.gov (United States)

    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

  8. THE INFLUENCE OF THE TEMPERATURE PARAMETER AND ITS DURATION ON THE THICKNESS OF ZINC COATING, ITS STRUCTURE WHILE THERMAL DIFFUSION GALVANIZING IN POWDER-BASED ENVIRONMENTS ZINC-CONTAINING WASTE – GARTTSINKA

    Directory of Open Access Journals (Sweden)

    N. I. Urbanowich

    2013-01-01

    Full Text Available It is showed that an increase of temperature and duration of holding time at termodiffuznom galvanizing in powder medium garttsink–Al2O3 leads to the layer thickness and the size of the samples growth. Coating thickness increases due to δ1k-compact phase having a fine crystalline structure, is in the range of 400–500 °C, with the most intensive growth of layer inside the sample due to the increase of δ1k-compact phase after 3 h-exposure.

  9. Ultrafine hydrogen storage powders

    Science.gov (United States)

    Anderson, Iver E.; Ellis, Timothy W.; Pecharsky, Vitalij K.; Ting, Jason; Terpstra, Robert; Bowman, Robert C.; Witham, Charles K.; Fultz, Brent T.; Bugga, Ratnakumar V.

    2000-06-13

    A method of making hydrogen storage powder resistant to fracture in service involves forming a melt having the appropriate composition for the hydrogen storage material, such, for example, LaNi.sub.5 and other AB.sub.5 type materials and AB.sub.5+x materials, where x is from about -2.5 to about +2.5, including x=0, and the melt is gas atomized under conditions of melt temperature and atomizing gas pressure to form generally spherical powder particles. The hydrogen storage powder exhibits improved chemcial homogeneity as a result of rapid solidfication from the melt and small particle size that is more resistant to microcracking during hydrogen absorption/desorption cycling. A hydrogen storage component, such as an electrode for a battery or electrochemical fuel cell, made from the gas atomized hydrogen storage material is resistant to hydrogen degradation upon hydrogen absorption/desorption that occurs for example, during charging/discharging of a battery. Such hydrogen storage components can be made by consolidating and optionally sintering the gas atomized hydrogen storage powder or alternately by shaping the gas atomized powder and a suitable binder to a desired configuration in a mold or die.

  10. Layered tin dioxide microrods

    International Nuclear Information System (INIS)

    Duan Junhong; Huang Hongbo; Gong Jiangfeng; Zhao Xiaoning; Cheng Guangxu; Yang Shaoguang

    2007-01-01

    Single-crystalline layered SnO 2 microrods were synthesized by a simple tin-water reaction at 900 deg. C. The structural and optical properties of the sample were characterized by x-ray powder diffraction, energy-dispersive x-ray spectroscopy, scanning electron microscopy, high resolution transmission electron microscopy, Raman scattering and photoluminescence (PL) spectroscopy. High resolution transmission electron microscopy studies and selected area electron diffraction patterns revealed that the layered SnO 2 microrods are single crystalline and their growth direction is along [1 1 0]. The growth mechanism of the microrods was proposed based on SEM, TEM characterization and thermodynamic analysis. It is deduced that the layered microrods grow by the stacking of SnO 2 sheets with a (1 1 0) surface in a vapour-liquid-solid process. Three emission peaks at 523, 569 and 626 nm were detected in room-temperature PL measurements

  11. In situ X-ray powder diffraction, synthesis, and magnetic properties of InVO 3

    Science.gov (United States)

    Lundgren, Rylan J.; Cranswick, Lachlan M. D.; Bieringer, Mario

    2006-12-01

    We report the first synthesis and high-temperature in situ X-ray diffraction study of InVO 3. Polycrystalline InVO 3 has been prepared via reduction of InVO 4 using a carbon monoxide/carbon dioxide buffer gas. InVO 3 crystallizes in the bixbyite structure in space group Ia-3 (206) with a=9.80636(31) Å with In 3+/V 3+ disorder on the (8 b) and (24 d) cation sites. In situ powder X-ray diffraction experiments and thermal gravimetric analysis in a CO/CO 2 buffer gas revealed the existence of the metastable phase InVO 3. Bulk samples with 98.5(2)% purity were prepared using low-temperature reduction methods. The preparative methods limited the crystallinity of this new phase to approximately 225(50) Å. Magnetic susceptibility and neutron diffraction experiments suggest a spin-glass ground state for InVO 3.

  12. Weighing fluidized powder

    International Nuclear Information System (INIS)

    Adomitis, J.T.; Larson, R.I.

    1980-01-01

    Fluidized powder is discharged from a fluidizing vessel into a container. Accurate metering is achieved by opening and closing the valve to discharge the powder in a series of short-duration periods until a predetermined weight is measured by a load cell. The duration of the discharge period may be increased in inverse proportion to the amount of powder in the vessel. Preferably the container is weighed between the discharge periods to prevent fluctuations resulting from dynamic effects. The gas discharged into the container causes the pressures in the vessel and container to equalize thereby decreasing the rate of discharge and increasing the accuracy of metering as the weight reaches the predetermined value. (author)

  13. Nanograin formation in milled MoO3 powders

    International Nuclear Information System (INIS)

    Guerrero-Paz, J; Dorantes-Rosales, H; Aguilar-Martínez, J A; Garibay-Febles, V

    2013-01-01

    Powder of Molybdenum trioxide was milled for different times in horizontal ball mills. Such powder was characterized by TEM and XRD. Powder was rapidly de-agglomerated and fragmented up to attain nanoplates of two types, amorphous and crystalline. Finally, cold-welding of nanoplates occurred permitting some relaxation process to obtain a more stable energized structure consisting of equiaxial crystalline nanograins after 16 hours of milling.

  14. Strength Improvement of Clay Soil by Using Stone Powder

    OpenAIRE

    Ahmed Sameer Abdulrasool

    2015-01-01

    Soil stabilization with stone powder is a good solution for the construction of subgrade for road way and railway lines, especially under the platforms and mostly in transition zones between embankments and rigid structures, where the mechanical properties of supporting soils are very influential. Stone powder often has a unique composition which justifies the need for research to study the feasibility of using this stone powder type for ground improvement applications. This paper presents re...

  15. Production of titanium alloy powders by vacuum fusion-centrifugation

    International Nuclear Information System (INIS)

    Decours, Jacques; Devillard, Jacques; Sainfort, G.

    1975-01-01

    This work presents a method of preparing powdered TA6V and TA6Z5D alloys by fusion-centrifugation under electron bombardment. An industrial capacity apparatus for the production of metallic powders is described and the characteristics of the powders obtained are presented. Solid parts were shaped by sintering and drawing at temperatures between 850 and 1100 deg C. The structure and mechanical properties of the cold densified products before and after heat treatment are compared [fr

  16. Properties of raw materials and intermediate products in the production of uranium dioxide sintered tablets

    International Nuclear Information System (INIS)

    Landspersky, H.; Vanecek, I.; Podest, M.

    1977-01-01

    The properties are described of ammonium polyuranate and of powder uranium dioxide. Ammonium polyuranate, an intermediate product, is prepared by filtering the precipitate from uranyl nitrate solution precipitation, this either by an ammonia aqueous solution from a uranyl nitrate aqueous solution or by direct U 6+ precipitation from a TBP kerosene solution by aqueous concentrated ammonia. With relation to further processing, the major properties of the intermediate product include grain size, shape and appearance of crystallites, structure and thermal decomposition. These properties affect the properties of UO 2 , the following intermediate product obtained by reduction of ammonium polyuranate. Powder UO 2 is the final intermediate product; high-compacted UO 2 pellets are manufactured from it by compacting and sintering. The final product properties are affected by the following parameters: specific surface, grain size and shape, U/O ratio and compactibility. The effect of and the techniques of determining these parameters are shown. The necessity is emphasised of studying the properties of powder ammonium polyuranate because changes in its production technology affect the properties of further products. (J.P.)

  17. Carbon dioxide as chemical feedstock

    National Research Council Canada - National Science Library

    Aresta, M

    2010-01-01

    ... Dioxide as an Inert Solvent for Chemical Syntheses 15 Alessandro Galia and Giuseppe Filardo Introduction 15 Dense Carbon Dioxide as Solvent Medium for Chemical Processes 15 Enzymatic Catalysis in Dense Carbon Dioxide 18 Other Reactions in Dense Carbon Dioxide 19 Polymer Synthesis in Supercritical Carbon Dioxide 20 Chain Polymerizations: Synt...

  18. Development of the process for production of UO2 powder by atomization of uranyl nitrate

    International Nuclear Information System (INIS)

    Oliveira Lainetti, P.E. de.

    1991-01-01

    A method of direct conversion of uranyl nitrate hexahydrate (UNH) solution to ceramic grade uranium dioxide powders by thermal denitration in a furnace that combines atomization nozzle and a gas stirred bed is described. The main purpose of this work is to show that this alternative process is technically viable, specially if the recovery of the scrap generated in the nuclear fuel pellet production is required, without further generation of new liquid wastes. The steps for the development of the denitration unit as well as the characteristics of the final powders are described. Powder production experiments have been carried out for different atomization gas pressures and furnace upper section temperatures. Determination of impurity content, specific surface area, particle size and pore size distribution, density, U content, and O/U rate of uranium dioxide powders have been done; phase identification and morphology studies have also been performed. Sintered pellets have been studied by hydrostatic density determination and microstructure analyses. (author)

  19. Baking Powder Wars

    OpenAIRE

    Civitello, Linda

    2017-01-01

    How did a mid-nineteenth century American invention, baking powder, replace yeast as a leavening agent and create a culinary revolution as profound as the use of yeast thousands of years ago?The approach was two-pronged and gendered: business archives, U.S. government records and lawsuits revealed how baking powder was created, marketed, and regulated. Women’s diaries and cookbooks—personal, corporate, community, ethnic—from the eighteenth century to internet blogs showed the use women made o...

  20. Muon transfer to sulphur dioxide

    International Nuclear Information System (INIS)

    Mulhauser, F.; Schneuwly, H.

    1993-01-01

    A systematic study of muon capture and muon transfer has been performed in seven different H 2 + SO 2 gas mixtures. From the single-exponential time structure of the muonic sulphur x-rays, one determines the lifetime of the μp atoms under the given experimental conditions. The reduced muon transfer rates to the sulphur dioxide molecule, deduced from these lifetimes, all agree well with each other. The muonic oxygen time spectra show an additional structure as if μp atoms of another kind were present. Comparable time structures are observed in a D 2 + SO 2 mixture. (author)

  1. Influence of the incorporation of titanium dioxide (TiO{sub 2}) on the morphological, structural and electrical properties of Graphene oxide (GO) thin films

    Energy Technology Data Exchange (ETDEWEB)

    Viana Junior, Emilson Ribeiro; Wegher, Gustavo; Deus, Jeferson Ferreira de, E-mail: emilsonjunior@utfpr.edu.br [Universidade Tecnologica Federal do Parana (UFTPR), Curitiba (Brazil)

    2016-07-01

    Full text: Carbon based nanostructures, as Carbon Nanotubes (CNT), Graphene (G) and Graphene Oxide (GO) have been extensively studied in the last years due to their unique electrical and optical properties. Recent research show that graphene can be used to improve the dispersion and stabilization of metal and metal-oxide nanostructures. Titanium dioxide (TiO{sub 2}) has been studied due to its non-toxicity, chemical stability and optoelectronic properties. However, the recombination of photoinduced electrons and holes limits its use on optoelectronic devices. To improve the charge separation efficiency of TiO{sub 2}, much effort has been focused on TiO{sub 2} nanocomposites. In this work, thin films devices of GO and Graphene Oxide with TiO{sub 2} (GO-TiO{sub 2}) were prepared using an alternative chemical route based on the Hummer’s method. The morphology and crystalline structure of the GO and GO with TiO{sub 2} thin films was investigated by X-ray power diffraction (XRD) and scanning electron microscopy (SEM). Was found that the anatase TiO{sub 2} TF were incorporated on the GO structure. Ultraviolet-visible spectroscopy (UV-vis) and Fourier transform infrared spectroscopy (FTIR) were also performed in order to corroborate with the results of XRD and SEM obtained. The electrical characterization of the GO and GO-TiO{sub 2} TF were performed using the four-probe van der Pauw method. The resistivity, density and the mobility of the carriers in the TFs were determined as a function of temperature. It was found that the electrical resistivity, the concentration of the free-carriers, the activation energy, and the capacitance of the device decrease due to the incorporation of TiO{sub 2} on GO, but the mobility increases. Due to low values of the activation energy the density of carriers thermally induced was high enough that lead to a metal-to insulator transition near room temperature. The ratio TiO{sub 2}:GO will be studied, in order to provide the best

  2. Manufacturing sector carbon dioxide emissions in nine OECD countries 1973--87: A Divisia index decomposition to changes in fuel mix, emission coefficients, industry structure, energy intensities, and international structure

    International Nuclear Information System (INIS)

    Torvanger, A.

    1990-11-01

    In this paper the reduction in energy-related manufacturing carbon dioxide emissions for nine OECD countries in the period 1973 to 1987 is analyzed. Carbon dioxide emissions are estimated from energy use data. The emphasis is on carbon dioxide intensities, defined as emissions divided by value added. The overall manufacturing carbon dioxide intensity for the nine OECD countries was reduced by 42% in the period 1973--1987. Five fuels are specified together with six subsectors of manufacturing. Carbon dioxide emissions are estimated from fossil fuel consumption, employing emissions coefficients for gas, oil and solids. In addition, electricity consumption is specified. For electricity use an emission coefficient index is calculated from the shares of fossil fuels, nuclear power and hydro power used to generate electricity, and the efficiency in electricity generation from these energy sources. A Divisia index approach is used to sort out the contribution to reduced carbon dioxide intensity from different components. The major finding is that the main contribution to reduced carbon dioxide intensity is from the general reduction in manufacturing energy intensity, most likely driven by economic growth and increased energy prices, giving incentives to invest in new technology and new industrial processes. There is also a significant contribution from reduced production in the most carbon dioxide intensive subsectors, and a contribution from higher efficiency in electricity generation together with a larger nuclear power share at the expense of oil. 19 refs., 5 figs., 11 tabs

  3. Ceramic UO2 powder production at Cameco Corporation

    International Nuclear Information System (INIS)

    Kwong, A.K.; Kuchurean, S.M.

    1997-01-01

    This presentation covers the various aspects of ceramic grade uranium dioxide (UO 2 ) powder production at Cameco Corporation and its use as fuel and blanket fuel for heavy-water and light-water reactors, respectively. In addition, it discusses the significant production variables that affect production and product quality. It also provides an insight into how various support groups such as Quality Assurance, Analytical Services, and Technology Development fit into the quality cycle and contribute to a successful operation. The ability of Cameco to identify, measure and control the physical and chemical properties of ceramic grade UO 2 has resulted in the production of uniform quality powder. This has meant that 100% of Cameco's ceramic grade UO 2 powder produced since mid-1989 has been accepted by the fuel manufacturers. (author)

  4. Study of the changes of uranium dioxide properties resulting from sintering; Izucavanje procesa sinterovanja urandioksida sa gledista promene karakteristicnih osobina

    Energy Technology Data Exchange (ETDEWEB)

    Ristic, M M [Institute of Nuclear Sciences Vinca, Laboratorija za reaktorske materijale, Beograd (Serbia and Montenegro)

    1962-12-15

    Uranium dioxide powder used for studying the sintering process having grain size 63 {mu}. Sintering was performed in the temperature interval from 1000 - 1300 deg C in argon atmosphere. The O/U ratio of the used uranium dioxide was 2.07. Densities obtained by sintering under the mentioned conditions were not higher than 91% TG (theoretical density). This showed that the mentioned conditions were optimal, but the uranium dioxide obtained could be used for studying the radiation damage of fuel.

  5. Magnetically responsive enzyme powders

    Czech Academy of Sciences Publication Activity Database

    Pospišková, K.; Šafařík, Ivo

    2015-01-01

    Roč. 380, APR 2015 (2015), s. 197-200 ISSN 0304-8853 R&D Projects: GA MŠk(CZ) LD13021 Institutional support: RVO:67179843 Keywords : enzyme powders * cross-linking * magnetic modification * magnetic separation * magnetic iron oxides particles * microwave-assisted synthesis Subject RIV: CE - Biochemistry Impact factor: 2.357, year: 2015

  6. Powder neutron diffractometers

    International Nuclear Information System (INIS)

    Adib, M.

    2002-01-01

    Basic properties and applications of powder neutron Diffractometers are described for optimum use of the continuous neutron beams. These instruments are equipped with position sensitive detectors, neutron guide tubes, and both high intensity and high resolution modes of operation are possible .The principles of both direct and Fourier reverse time-of-flight neutron Diffractometers are also given

  7. Low Temperature Powder Coating

    Science.gov (United States)

    2011-02-09

    of volatile organic compounds (VOCs) and hazardous air pollutants (HAPs) • Legacy primers contain hexavalent chrome • Conventional powder coatings...coatings both in laboratory and field service evaluations • LTCPC allows environmental cost reductions through VOC/HAP elimination and hexavalent ... chrome reduction. • The LTCPC process greatly shortens the coating operation (LTCPC cures much more rapidly then conventional wet coatings) resulting in

  8. Laser cladding with powder

    NARCIS (Netherlands)

    Schneider, M.F.; Schneider, Marcel Fredrik

    1998-01-01

    This thesis is directed to laser cladding with powder and a CO2 laser as heat source. The laser beam intensity profile turned out to be an important pa6 Summary rameter in laser cladding. A numerical model was developed that allows the prediction of the surface temperature distribution that is

  9. Molecular Dynamics Simulation of Carbon Dioxide in Single-Walled Carbon Nanotubes in the Presence of Water: Structure and Diffusion Studies

    Czech Academy of Sciences Publication Activity Database

    Svoboda, Martin; Brennan, J. K.; Lísal, Martin

    2015-01-01

    Roč. 113, 9-10 (2015), s. 1124-1136 ISSN 0026-8976 R&D Projects: GA ČR(CZ) GA13-02938S Institutional support: RVO:67985858 Keywords : carbon dioxide separation * density profiles * self-diffusion coefficients Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.837, year: 2015

  10. Zirconia powders production by precipitation: state-of-art review

    International Nuclear Information System (INIS)

    Oliveira, Ana Paula Almeida de; Torem, Mauricio Leonardo

    1994-01-01

    The important role played by zirconia in advanced ceramics can be attributed to its excellent wear and corrosion resistance and refractory character. The polymorphic nature of zirconia made the controlled addition of stabilizing oxides or the constraining effect of a dense ceramics matrix necessary to maintain high parameters had a significant influence on powder properties and on compacted powder behaviour in sintering. Particle shape and size, purity and crystalline structure were specially influenced by precipitation parameters. Therefore, this work presented a review of the state of the art in zirconia powder production and in the recent research on precipitation of that powder. (author)

  11. Development and directions of powder diffraction on proteins

    Energy Technology Data Exchange (ETDEWEB)

    Von Dreele, R B; Besnard, C; Basso, S; Camus, F; Pattison, P; Schiltz, M; Wright, J P; Margiolaki, R; Fitch, A N; Fox, G C; Prugoveeki, S; Beckers, D; Helliwell, J R; Helliwell, M; Jones, R H; Roberts, M A; Miura, K; Kahn, R; Giacovazzo, C; Altomare, A; Caliandro, R; Camalli, M; Cuocci, C; Moliterni, A G.G.; Rizzi, R; Hinrichsen, B; Kern, A; Coelho, A A; Degen, T; Kokkinidis, M; Fadouloglou, V; Gazi, A; Panopoulos, N; Pinotsis, N; Wilmanns, M; Norrman, M; Schluckebier, G; Prugoveeki, B; Dilovic, J; Matkovic-Calogovic, D; Bill, David; Markvardsen, A; Grosse-Kunstleve, R; Rius, J; Glykos Nicholas, M; Murshudov, G N

    2007-07-01

    X-ray diffraction is one of the most important method for obtaining information about the structure of proteins and thereby for gaining insight into fundamental biological and biochemical mechanisms. This seminar was dedicated to X-ray powder diffraction and was organized around 6 sessions: 1) what can powder diffraction do for proteins?, 2) adapting experimentally to proteins, 3) interpreting powder data, 4) the world of protein crystallography, 5) advancing methods for powder data analysis, and 6) transferable methods from single crystals. This document gathers the abstracts of the 23 papers presented. (A.C.)

  12. Development and directions of powder diffraction on proteins

    International Nuclear Information System (INIS)

    Von Dreele, R.B.; Besnard, C.; Basso, S.; Camus, F.; Pattison, P.; Schiltz, M.; Wright, J.P.; Margiolaki, R.; Fitch, A.N.; Fox, G.C.; Prugoveeki, S.; Beckers, D.; Helliwell, J.R.; Helliwell, M.; Jones, R.H.; Roberts, M.A.; Miura, K.; Kahn, R.; Giacovazzo, C.; Altomare, A.; Caliandro, R.; Camalli, M.; Cuocci, C.; Moliterni, A.G.G.; Rizzi, R.; Hinrichsen, B.; Kern, A.; Coelho, A.A.; Degen, T.; Kokkinidis, M.; Fadouloglou, V.; Gazi, A.; Panopoulos, N.; Pinotsis, N.; Wilmanns, M.; Norrman, M.; Schluckebier, G.; Prugoveeki, B.; Dilovic, J.; Matkovic-Calogovic, D.; Bill, David; Markvardsen, A.; Grosse-Kunstleve, R.; Rius, J.; Glykos Nicholas, M.; Murshudov, G.N.

    2007-01-01

    X-ray diffraction is one of the most important method for obtaining information about the structure of proteins and thereby for gaining insight into fundamental biological and biochemical mechanisms. This seminar was dedicated to X-ray powder diffraction and was organized around 6 sessions: 1) what can powder diffraction do for proteins?, 2) adapting experimentally to proteins, 3) interpreting powder data, 4) the world of protein crystallography, 5) advancing methods for powder data analysis, and 6) transferable methods from single crystals. This document gathers the abstracts of the 23 papers presented. (A.C.)

  13. Fine crystalline powders. Analysis of scientific and technical literature

    International Nuclear Information System (INIS)

    Denisenko, Eh.T.; Kulik, O.P.; Eremina, T.V.

    1983-01-01

    The state of development and studies of fine crystalline powders for recent five years is reviewed in the paper. Based on data available in literature, the most significant methods for fine metal and alloy powder production are considered and physicochemical properties of ultrafine particles are discussed from the standpoint of their interrelation with promising techniques for powder production. It is stated that the most important feature of ultrafine powder production technique at the present stage is a transition from the stage of data accumulation to that of controlled production of ultrafine structures of various metals and alloys under controllable conditions

  14. Dispersion-strengthened Aluminium Products Manufactured by Powder Blending

    DEFF Research Database (Denmark)

    Hansen, Niels

    1969-01-01

    Detailed experiments carried out to examine relationship between microstructure and mechanical properties of powder-blended aluminum products are reported; their results as well as structural studies by transmission electron microscopy and tensile-and creep- testing, are given; as dispersed phase......, various oxide powders were selected on criterion that during manufacturing no reaction must taken place between metal and oxide phase; strength of powder-blended aluminum products increases and elongation decreases with decreasing particle size of aluminum powder and with increasing concentration of oxide...

  15. Uranium dioxide pellets

    International Nuclear Information System (INIS)

    Zawidzki, T.W.

    1979-01-01

    Sintered uranium dioxide pellets composed of particles of size > 50 microns suitable for power reactor use are made by incorporating a small amount of sulphur into the uranium dioxide before sintering. The increase in grain size achieved results in an improvement in overall efficiency when such pellets are used in a power reactor. (author)

  16. Classification of titanium dioxide

    International Nuclear Information System (INIS)

    Macias B, L.R.; Garcia C, R.M.; Maya M, M.E.; Ita T, A. De; Palacios G, J.

    2002-01-01

    In this work the X-ray diffraction (XRD), Scanning Electron Microscopy (Sem) and the X-ray Dispersive Energy Spectroscopy techniques are used with the purpose to achieve a complete identification of phases and mixture of phases of a crystalline material as titanium dioxide. The problem for solving consists of being able to distinguish a sample of titanium dioxide being different than a titanium dioxide pigment. A standard sample of titanium dioxide with NIST certificate is used, which indicates a purity of 99.74% for the TiO 2 . The following way is recommended to proceed: a)To make an analysis by means of X-ray diffraction technique to the sample of titanium dioxide pigment and on the standard of titanium dioxide waiting not find differences. b) To make a chemical analysis by the X-ray Dispersive Energy Spectroscopy via in a microscope, taking advantage of the high vacuum since it is oxygen which is analysed and if it is concluded that the aluminium oxide appears in a greater proportion to 1% it is established that is a titanium dioxide pigment, but if it is lesser then it will be only titanium dioxide. This type of analysis is an application of the nuclear techniques useful for the tariff classification of merchandise which is considered as of difficult recognition. (Author)

  17. Powder processing and spheroidizing with thermal inductively coupled plasma

    International Nuclear Information System (INIS)

    Nutsch, G.; Linke, P.; Zakharian, S.; Dzur, B.; Weiss, K.-H.

    2001-01-01

    Processing of advanced powder materials for the spraying industry is one of the most promising applications of the thermal RF inductively coupled plasma. By selecting the feedstock carefully and adjusting the RF plasma parameters, unique materials with high quality can be achieved. Powders injected in the hot plasma core emerge with modified shapes, morphology, crystal structure and chemical composition. Ceramic oxide powders such as Al 2 O 3 , ZrO 2 , SiO 2 are spheroidized with a high spheroidization rate. By using the RF induction plasma spheroidizing process tungsten melt carbide powders are obtained with a high spheroidization rate at high feeding rates by densification of agglomerated powders consisting of di-tungsten carbide and monocarbide with a definite composition. This kind of ball-like powders is particularly suited for wear resistant applications. (author)

  18. Emerging Applications Using Magnesium Alloy Powders: A Feasibility Study

    Science.gov (United States)

    Tandon, Rajiv; Madan, Deepak

    The use of powder metallurgy offers a potential processing route based on tailored compositions and unique microstructures to achieve high performance in magnesium alloys. This paper highlights recent advances in the production, qualification, and characterization of gas atomized AZ91E, WE43 and Elektron21 alloy powders. Transmission electron microscopy (TEM) was used to understand the bulk and surface structure of the atomized powder. The potential for using these magnesium alloy powders for emerging applications involves establishing compatibility with viable consolidation processes such as cold spray, laser assisted deposition, forging and extrusion. This study summarizes the preliminary results for various ongoing investigations using WE43 powder as an example. Results show that powder metallurgy processed WE43 results in comparable properties to those obtained from cast and wrought and offers potential for improvement.

  19. Synthesis of alumina powders by precipitation method and solvothermal treatment

    International Nuclear Information System (INIS)

    Politchuk, J.O.; Lima, N.B.; Lazar, D.R.R.; Ussui, V.; Yoshito, W.K.

    2012-01-01

    The improvement of alumina powders synthesis processes has been focused on the preparation of ceramic powders with well defined crystalline structure and with high specific surface area and nanometric particle size without formation of hard agglomerates. For this purpose the precipitation step should be studied and and also the temperature of alumina crystallization should be reduced. The aim of this study was to obtain alumina powders by hydroxide precipitation with ammonia in the presence of cationic surfactant, followed by solvothermal treatment and calcination. The powders were characterized by TG/DTA, X-ray diffraction, surface area measurements by gas adsorption (BET) and scanning electron microscopy. The results showed that powders produced by solvothermal treatment without surfactant have higher crystallinity. However the presence of CTAB enhances 240% the specific surface area compared with powders produced without this reagent (author)

  20. The most essential tendencies in development of powder metallurgy

    International Nuclear Information System (INIS)

    Fedorchenko, I.M.

    1989-01-01

    A progress in the sphere of creation and application of new types of powder materials is characterized. The materials are as follows: structural, tribotechnical, composite, reinforced, precipitation-hardened, refractory, tool, materials based on light metals and others. A number of important problems whose solution will promote a further development of powder metallurgy are formulated

  1. Neutron powder diffraction investigation on the crystal and magnetic structure of (Ho{sub 0.50+x}Ca{sub 0.50-x})(Mn{sub 1-x}Cr{sub x})O{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Martinelli, A; Ferretti, M [SPIN-CNR, Corso Perrone 24, 16152 Genova (Italy); Castellano, C [Dipartimento di Chimica Strutturale e Stereochimica Inorganica, Universita degli Studi di Milano, Via C Venezian 21, 20133 Milano (Italy); Cimberle, M R; Masini, R [IMEM-CNR, Via Dodecaneso 33, 16146 Genova (Italy); Ritter, C, E-mail: alberto.martinelli@spin.cnr.it [Institute Laue-Langevin, 6 rue Jules Horowitz, 38042 Grenoble Cedex 9 (France)

    2011-10-19

    The crystal and magnetic structure of (Ho{sub 0.50+x}Ca{sub 0.50-x})(Mn{sub 1-x}Cr{sub x})O{sub 3} (x = 0.00, 0.01, 0.02, 0.03) has been investigated between 5 and 300 K by means of neutron powder diffraction followed by Rietveld refinement and dc magnetic measurements. During cooling an orthorhombic to monoclinic phase transition occurs on account of the charge and orbital ordering taking place in the Mn sub-lattice; at low temperature phase separation takes place and the main monoclinic phase coexists with a secondary orthorhombic phase, whose amount slightly increases with the increase of Cr content. Cr{sup 3+} is not involved in orbital ordering or superexchange interactions. The charge and magnetic ordering are decoupled: the Mn moments order according to a CE-type structure in all samples. (paper)

  2. Magnetic ordering in the monoclinic structure of Nd5Si1.45Ge2.55 and Pr5Si1.5Ge2.5 studied by means of neutron powder diffraction

    International Nuclear Information System (INIS)

    Magen, C; Ritter, C; Morellon, L; Algarabel, P A; Ibarra, M R

    2004-01-01

    The compounds Nd 5 Si 1.45 Ge 2.55 and Pr 5 Si 1.5 Ge 2.5 have been investigated by means of magnetization measurements and neutron powder diffraction techniques. These alloys present a room-temperature monoclinic Gd 5 Si 2 Ge 2 -type crystallographic structure and, on cooling, both systems order ferromagnetically, at T C = 56 and 32 K, respectively, from a high-temperature paramagnetic to a low-temperature complex canted ferromagnetic state. The monoclinic crystallographic structure remains unchanged upon cooling down to 4 K, demonstrating the existence of a monoclinic ferromagnetic phase, and the possibility of a full decoupling of magnetic and crystallographic degrees of freedom in the 5:4 lanthanide intermetallic compounds

  3. More bad news about carbon dioxide emissions

    International Nuclear Information System (INIS)

    Stonehouse, D.

    2000-01-01

    The affect that increased carbon dioxide concentrations has on plants and animals was discussed. Most research focuses on the impacts that carbon dioxide concentrations has on climatic change. Recent studies, however, have shown that elevated levels of carbon dioxide in the atmosphere caused by burning fossils fuels changes the chemical structure of plants and could lead to significant disruptions in ecological food chains. High carbon dioxide levels cause plants to speed up photosynthesis, take in the gas, and use the carbon to produce more fibre and starch while giving off oxygen as a byproduct. As plants produce more carbon, their levels of nitrogen diminish making them less nutritious for the insects and animals that feed on them. This has serious implications for farmers, as pests would have to eat more of their crops to survive. In addition, farmers would have to supplement livestock with nutrients

  4. The preparation of uranium tetrafluoride from dioxide by aqueous way

    International Nuclear Information System (INIS)

    Aquino, A.R. de; Abrao, A.

    1990-01-01

    This paper describes the study for the wet way obtention of uranium tetrafluoride by the reaction of hydrofluoric acid and powder uranium dioxide. With the results obtained at laboratory scale a pilot plant was planned and erected. It is presently in operation for experimental data aquisition. Time of reaction, temperature, excess of reagents and the hydrofluoric acid / uranium dioxide ratio were the main parameters studied to obtain a product with the following characteristics: - density greater than 1 g/cm 3 , - conversion rate greater than 96%, -water content equal to 0,2%, that allows its application to hexafluoride convertion or to magnesiothermic process. (authOr) [pt

  5. Uranium tetrafluoride production via dioxide by wet process

    International Nuclear Information System (INIS)

    Aquino, A.R. de.

    1988-01-01

    The study for the wet way obtention of uranium tetrafluoride by the reaction of hydrofluoric acid and powder uranium dioxide, is presented. From the results obtained at laboratory scale a pilot plant was planned and erected. It is presently in operation for experimental data aquisition. Time of reaction, temperature, excess of reagents and the hydrofluoric acid / uranium dioxide ratio were the main parameters studied to obtain a product with the following characteristics: - density greater than 1 g/cm 3 , conversion rate greater than 96%, and water content equal to 0,2% that allows its application to heaxafluoride convertion or to magnesiothermic process. (author) [pt

  6. Method to blend separator powders

    Science.gov (United States)

    Guidotti, Ronald A.; Andazola, Arthur H.; Reinhardt, Frederick W.

    2007-12-04

    A method for making a blended powder mixture, whereby two or more powders are mixed in a container with a liquid selected from nitrogen or short-chain alcohols, where at least one of the powders has an angle of repose greater than approximately 50 degrees. The method is useful in preparing blended powders of Li halides and MgO for use in the preparation of thermal battery separators.

  7. In-house characterization of protein powder

    DEFF Research Database (Denmark)

    Hartmann, Christian Grundahl; Harris, Pernille; Ståhl, Kenny

    2011-01-01

    . For safe identification of the crystal form the experimental patterns have to be compared with patterns calculated from known crystal structures. Very good agreement with Protein Data Bank data was obtained after including corrections for background, unit cell parameters, disordered bulk......Collecting protein powder diffraction data on standard in-house powder diffractometers requires careful handling of the samples. Specially designed sample holders combined with optimized collimation were found to be the key factors in improving the data quality and reducing the data collection time......-solvent, and geometric factors. The data collection and correction procedures were demonstrated by the identification of three different crystal forms of insulin....

  8. Plasma technology for powder particles

    Energy Technology Data Exchange (ETDEWEB)

    Kranz, E. (Technische Hochschule, Ilmenau (German Democratic Republic))

    1983-03-01

    A survey is given of principles and applications of plasma spraying and of powder transformation and generation in plasma considering spheroidization, grain size transformation, powder particle formation, powder reduction, and melting within the power range of 10/sup 3/ to 10/sup 7/ W. The products are applied in many industrial fields such as nuclear engineering, hard metal production, metallurgy, catalysis, and semiconductor techniques.

  9. Simple method of preparing nitrogen - doped nanosized TiO2 powders of high photocatalytic activity under visible light

    International Nuclear Information System (INIS)

    Nguyen Van Hung; Dang Thi Thanh Le

    2014-01-01

    Nitrogen-doped nanosized TiO 2 powders were prepared by a simple thermal treatment method of the mixture of titanium dioxide and urea. The prepared products were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), UV-Vis diffuse reflectance spectra (UV-Vis-DRS) and Fourier transform infrared (FT-IR) spectroscopy. The results showed that the crystal structure of N-TiO 2 was a mixture of anatase and rutile phases, and the average particle size was 31 nm calculated from XRD results. The UV-vis spectra indicate an increase in absorption of visible light when compared to undoped TiO 2 . The photocatalytic activity of nitrogen-doped TiO 2 powder was evaluated by the decomposition of methylene blue under visible light irradiation. And it was found that nitrogen-doped TiO 2 powders exhibited much higher photocatalytic activity than undoped TiO 2 . Moreover, the study also showed that, the doping N atoms improve the growth of the TiO 2 crystal and phase transformation. (author)

  10. SEU blending project, concept to commercial operation, Part 3: production of powder for demonstration irradiation fuel bundles

    International Nuclear Information System (INIS)

    Ioffe, M.S.; Bhattacharjee, S.; Oliver, A.J.; Ozberk, E.

    2005-01-01

    The processes for production of Slightly Enriched Uranium (SEU) dioxide powder and Blended Dysprosium and Uranium (BDU) oxide powder that were developed at laboratory scale at Cameco Technology Development (CTD), were implemented and further optimized to supply to Zircatec Precision Industries (ZPI) the quantities required for manufacturing twenty six Low Void Reactivity (LVRF) CANFLEX fuel bundles. The production of this new fuel was a challenge for CTD and involved significant amount of work to prepare and review documentation, develop and approve new analytical procedures, and go through numerous internal reviews and audits by Bruce Power, CNSC and third parties independent consultants that verified the process and product quality. The audits were conducted by Quality Assurance specialists as well as by Human Factor Engineering experts with the objective to systematically address the role of human errors in the manufacturing of New Fuel and confirm whether or not a credible basis had been established for preventing human errors. The project team successfully passed through these audits. The project management structure that was established during the SEU and BDU blending process development, which included a cross-functional project team from several departments within Cameco, maintained its functionality when Cameco Technology Development was producing the powder for manufacturing Demonstration Irradiation fuel bundles. Special emphasis was placed on the consistency of operating steps and product quality certification, independent quality surveillance, materials segregation protocol, enhanced safety requirements, and accurate uranium accountability. (author)

  11. Preparation and characterization of phase-pure anatase and rutile TiO2 powder by new chemistry route

    International Nuclear Information System (INIS)

    Pereira, E. A.; Montanhera, M.A.; Paula, F.R.; Spada, E.R.

    2014-01-01

    Titanium dioxide (TiO 2 ) is used in a wire range applications such as photocatalysis and sensor device. In this work is shown a new and effective method for the preparation of TiO 2 nanocrystalline in the crystallographic forms, anatase and rutile. The method involves dissolving the TiOSO 4 powder in H 2 O 2 solution and thermal treatment of amorphous precipitate. The technique of X-ray diffraction was used to follow the structure evolution of amorphous precipitate. Pure anatase structure and rutile are obtained at 600 deg C and 1000 deg C with a grain size estimated 24 and 55 nm respectively. TiO 2 nanoparticles is a promising alternative of the low cost whose potential for solar cells deserve a careful evaluation, especially in hybrid solar cells that employs TiO 2 as electron acceptor and as transport channels. (author)

  12. Highly photocatalytic TiO_2 interconnected porous powder fabricated by sponge-templated atomic layer deposition

    International Nuclear Information System (INIS)

    Pan, Shengqiang; Zhao, Yuting; Huang, Gaoshan; Li, Menglin; Mei, Yongfeng; Wang, Jiao; Zheng, Lirong; Baunack, Stefan; Schmidt, Oliver G; Gemming, Thomas

    2015-01-01

    A titanium dioxide (TiO_2) interconnected porous structure has been fabricated by means of atomic layer deposition of TiO_2 onto a reticular sponge template. The obtained freestanding TiO_2 with large surface area can be easily taken out of the water to solve a complex separation procedure. A compact and conformal nanocoating was evidenced by morphologic characterization. A phase transition, as well as production of oxygen vacancies with increasing annealing temperature, was detected by x-ray diffraction and x-ray photoelectron spectroscopy, respectively. The photocatalytic experimental results demonstrated that the powder with appropriate annealing treatment possessed excellent photocatalytic ability due to the co-action of high surface area, oxygen vacancies and the optimal crystal structure. (paper)

  13. Structural and morphological characterization of TiO{sub 2}-ZrO{sub 2} powders obtained by the polymeric precursors method; Caracterizacao estrutural e morfologica de pos de TiO{sub 2}-ZrO{sub 2} obtidos pelo metodo dos precursores polimericos

    Energy Technology Data Exchange (ETDEWEB)

    Ribeiro, M.A.; Gama, L.; Bispo, A.; Neiva, L.S., E-mail: m_aparecidaribeiro@yahoo.com.b [Universidade Federal de Campina Grande (DEMa/UFCG), PB (Brazil). Dept. de Engenharia de Materiais; Bernardi, M.I.B. [Universidade de Sao Paulo (IFSC/USP), Sao Carlos, SP (Brazil). Inst. de Fisica; Kiminami, R.H.G.A. [Universidade Federal de Sao Carlos (DEMa/UFSCar), SP (Brazil). Dept. de Engenharia de Materiais

    2010-07-01

    This work aims to characterize the structure and morphology of TiO{sub 2}-ZrO{sub 2} powders obtained by polymeric precursor method. For this we studied the following compositions: 0.25, 0.5 and 0.75 moles of Zr and calcined at 800 deg C for one hour. The powders obtained were characterized by XRD, SEM and nitrogen adsorption (BET). The analysis of X-ray diffraction showed that the powders had a phase of TiO{sub 2} in the anatase form and a tetragonal phase of ZrO{sub 2}. The crystallite size was between 8, 13 and 11 nm respectively. The analysis of scanning electron microscopy showed the growth of ZrO{sub 2} nanoparticles and that these comprise spherical agglomerates of less than 100 nm. Particle size determined by the BET ranging 28.1-29.5 nm, showing thereby the character of nanosized powders. (author)

  14. Synthesis of Uranium nitride powders using metal uranium powders

    International Nuclear Information System (INIS)

    Yang, Jae Ho; Kim, Dong Joo; Oh, Jang Soo; Rhee, Young Woo; Kim, Jong Hun; Kim, Keon Sik

    2012-01-01

    Uranium nitride (UN) is a potential fuel material for advanced nuclear reactors because of their high fuel density, high thermal conductivity, high melting temperature, and considerable breeding capability in LWRs. Uranium nitride powders can be fabricated by a carbothermic reduction of the oxide powders, or the nitriding of metal uranium. The carbothermic reduction has an advantage in the production of fine powders. However it has many drawbacks such as an inevitable engagement of impurities, process burden, and difficulties in reusing of expensive N 15 gas. Manufacturing concerns issued in the carbothermic reduction process can be solved by changing the starting materials from oxide powder to metals. However, in nitriding process of metal, it is difficult to obtain fine nitride powders because metal uranium is usually fabricated in the form of bulk ingots. In this study, a simple reaction method was tested to fabricate uranium nitride powders directly from uranium metal powders. We fabricated uranium metal spherical powder and flake using a centrifugal atomization method. The nitride powders were obtained by thermal treating those metal particles under nitrogen containing gas. We investigated the phase and morphology evolutions of powders during the nitriding process. A phase analysis of nitride powders was also a part of the present work

  15. Synthesis of yttria powders by electrospray pyrolysis

    International Nuclear Information System (INIS)

    Rulison, A.J.; Flagan, R.C.

    1994-01-01

    Electrospray atomization of high-concentration (∼400 g/L) chemical precursor solutions was applied to the synthesis of yttria powders. Conditions were found which led to high-quality powders, composed of dense, spheroidal, submicrometer, and nanocrystalline oxide particles. The precursor solutions were hydrated yttrium nitrates dissolved in n-propyl alcohol at concentrations ranging from 44.1 to 455 g/L. Electrospray atomization produced submicrometer precursor droplets which were dispersed in air and carried through an electric furnace for thermal decomposition at 500 C for several seconds residence time. X-ray powder diffraction patterns indicated the expected cubic phase. Transmission electron micrographs showed that the particle structure varied with solution composition, ranging from hollow, inflated spheres for 6-hydrated nitrates to dense spheroids for 5-hydrated nitrates. The use of 6-hydrated nitrates in the solutions appeared to form particle surfaces which were impermeable to alcohol vapor evolved during thermal decomposition, leading to hollow, inflated spheres

  16. Influence of some factors upon forces transmission during UO2 powders compaction

    International Nuclear Information System (INIS)

    Deju, R.; Georgeoni, P.; Turcanu, N.C.; Dobos, I.

    1979-01-01

    The ratio between the transmitted force to the lower punch and the force applied to the upper punch is a constant, k, on given conditions. The obtained results have shown the validity of the proposed relation between the ratio, k, on the one hand, and the inverse of mass compact, the ratio between height and diameter, the average density of the compact, on the other hand. The influence of the powder quality, powder conditioning, granulometry of the conditioned material, quality and quantity of the lubricant, over the k ratio, during the uranium dioxide powder compaction, were studied. (author)

  17. Dispersing powders in liquids

    CERN Document Server

    Nelson, RD

    1988-01-01

    This book provides powder technologists with laboratory procedures for selecting dispersing agents and preparing stable dispersions that can then be used in particle size characterization instruments. Its broader goal is to introduce industrial chemists and engineers to the phenomena, terminology, physical principles, and chemical considerations involved in preparing and handling dispersions on a commercial scale. The book introduces novices to: - industrial problems due to improper degree of dispersion; - the nomenclature used in describing particles; - the basic physica

  18. Matrix-compatible sorbent coatings based on structurally-tuned polymeric ionic liquids for the determination of acrylamide in brewed coffee and coffee powder using solid-phase microextraction.

    Science.gov (United States)

    Cagliero, Cecilia; Nan, He; Bicchi, Carlo; Anderson, Jared L

    2016-08-12

    Nine crosslinked polymeric ionic liquid (PIL)-based SPME sorbent coatings were designed and screened in this study for the trace level determination of acrylamide in brewed coffee and coffee powder using gas chromatography-mass spectrometry (GC-MS). The structure of the ionic liquid (IL) monomer was tailored by introducing different functional groups to the cation and the nature of the IL crosslinker was designed by altering both the structure of the cation as well as counteranions. The extraction efficiency of the new PIL coatings towards acrylamide was investigated and compared to a previously reported PIL sorbent coating. All PIL fibers exhibited excellent analytical precision and linearity. The PIL fiber coating consisting of 50% 1,12-di(3-vinylbenzylbenzimidazolium)dodecane dibis[(trifluoromethyl)sulfonyl]imide as IL crosslinker in 1-vinyl-3-(10-hydroxydecyl)imidazolium bis[(trifluoromethyl)sulfonyl]imide IL monomer resulted in a limit of quantitation of 0.5μgL(-1) with in-solution SPME sampling. The hydroxyl moiety appended to the IL cation was observed to significantly increase the sensitivity of the PIL coating toward acrylamide. The quantitation of acrylamide in brewed coffee and coffee powder was performed using the different PIL-based fibers by the method of standard addition after a quenching reaction using ninhydrin to inhibit the formation of interfering acrylamide in the GC inlet, mainly by asparagine thermal degradation. Excellent repeatability with relative standard deviations below 10% were obtained on the real coffee samples and the structure of the coatings appeared intact by scanning electron microscopy after coffee sampling proving the matrix-compatibility of the PIL sorbent coatings. Copyright © 2016 Elsevier B.V. All rights reserved.

  19. Container for nuclear fuel powders

    International Nuclear Information System (INIS)

    Etheredge, B.F.; Larson, R.I.

    1982-01-01

    A critically safe container is disclosed for the storage and rapid discharge of enriched nuclear fuel material in powder form is disclosed. The container has a hollow, slab-shaped container body that has one critically safe dimension. A powder inlet is provided on one side wall of the body adjacent to a corner thereof and a powder discharge port is provided at another corner of the body approximately diagonal the powder inlet. Gas plenum for moving the powder during discharge are located along the side walls of the container adjacent the discharge port

  20. Experimental study and kinetic modeling of the hydro-fluorination of uranium dioxide

    International Nuclear Information System (INIS)

    Pages, Simon

    2014-01-01

    A kinetic study of hydro-fluorination of uranium dioxide was performed between 375 and 475 C under partial pressures of HF between 42 and 720 mbar. The reaction was followed by thermogravimetry in isothermal and isobaric conditions. The kinetic data obtained coupled with a characterization of the powder before, during and after reaction by SEM, EDS, BET and XRD showed that the powder grains of UO 2 are transformed according a model of instantaneous germination, anisotropic growth and internal development. The rate limiting step of the growth process is the diffusion of HF in the UF 4 layer. A mechanism of growth of the UF 4 layer has been proposed. In the temperature and pressure range studied, the reaction is of first order with respect to HF and follows an Arrhenius law. A rate equation was determined and used to perform kinetic simulations which have shown a very good correlation with experience. Coupling of this rate equation with heat and mass transport phenomena allowed to perform simulations at the scale of a powder's agglomerate. They have shown that some structures of agglomerates influence the rate of diffusion of the gases in the porous medium and thereby influence the reaction rate. Finally kinetic simulations on powder's beds and pellets were carried out and compared with experimental rates. The experimental and simulated kinetic curves have the same paces, but improvements in the simulations are needed to accurately predict rates: the coupling between the three scales (grain, agglomerate, oven) would be a good example. (author) [fr

  1. Three dimensional reduced graphene hydrogels with tunable pore sizes using thiourea dioxide for electrode materials in supercapacitors

    International Nuclear Information System (INIS)

    Xing, Ling-Bao; Zhang, Jing-Li; Zhang, Juan; Hou, Shu-Fen; Zhou, Jin; Si, Weijiang; Cui, Hongyou; Zhuo, Shuping

    2015-01-01

    Graphical abstract: Three-dimensional porous reduced graphene hydrogels with tunable pore size distribution are prepared by using thiourea dioxide in GO suspension with ammonia. - Highlights: • Three-dimensional reduced graphene hydrogels (RGHs) were prepared. • Thiourea dioxide was used as reducing agent with ammonia. • RGHs showed tunable pore size distribution by thiourea dioxide. • RGHs exhibited relatively good electrochemical properties in supercapacitor. - Abstract: In present work, we demonstrate a rapid and easy approach to fabricate three-dimensional (3D) reduced graphene hydrogels (RGHs) by using thiourea dioxide as reducing agents in an aqueous solution of graphene oxide (GO) with ammonia. The transformation of GO suspension to the hydrogels can be confirmed by X-ray powder diffraction, Raman spectroscopy, and Fourier transform infrared spectroscopy. The hierarchical porosity, structure and surface chemical properties can be demonstrated by N 2 sorption experiments, scanning electron microscopy and X-ray photoelectron spectroscopy. With adding different amounts of thiourea dioxide, the obtained RGHs behave different degree of reduction, controlled specific surface area and pore size distribution, and unlike performances in supercapacitors. Benefiting from well-defined and cross-linked 3D porous network architectures, the supercapacitors based on the RGHs in KOH electrolyte exhibited a high specific capacitance of 258.6, 167.3 and 198.3 F g −1 at 0.1 A g −1 for RGHs-1, RGHs-2 and RGHs-5, respectively. Furthermore, this capacitance also showed good electrochemical stability and a high degree of reversibility in the repetitive charge/discharge cycling test

  2. Preparation of superconductor precursor powders

    Science.gov (United States)

    Bhattacharya, Raghunath

    1998-01-01

    A process for the preparation of a precursor metallic powder composition for use in the subsequent formation of a superconductor. The process comprises the steps of providing an electrodeposition bath comprising an electrolyte medium and a cathode substrate electrode, and providing to the bath one or more soluble salts of one or more respective metals which are capable of exhibiting superconductor properties upon subsequent appropriate treatment. The bath is continually energized to cause the metallic and/or reduced particles formed at the electrode to drop as a powder from the electrode into the bath, and this powder, which is a precursor powder for superconductor production, is recovered from the bath for subsequent treatment. The process permits direct inclusion of all metals in the preparation of the precursor powder, and yields an amorphous product mixed on an atomic scale to thereby impart inherent high reactivity. Superconductors which can be formed from the precursor powder include pellet and powder-in-tube products.

  3. Time resolved fluorescence of cow and goat milk powder

    Science.gov (United States)

    Brandao, Mariana P.; de Carvalho dos Anjos, Virgílio; Bell., Maria José V.

    2017-01-01

    Milk powder is an international dairy commodity. Goat and cow milk powders are significant sources of nutrients and the investigation of the authenticity and classification of milk powder is particularly important. The use of time-resolved fluorescence techniques to distinguish chemical composition and structure modifications could assist develop a portable and non-destructive methodology to perform milk powder classification and determine composition. This study goal is to differentiate milk powder samples from cows and goats using fluorescence lifetimes. The samples were excited at 315 nm and the fluorescence intensity decay registered at 468 nm. We observed fluorescence lifetimes of 1.5 ± 0.3, 6.4 ± 0.4 and 18.7 ± 2.5 ns for goat milk powder; and 1.7 ± 0.3, 6.9 ± 0.2 and 29.9 ± 1.6 ns for cow's milk powder. We discriminate goat and cow powder milk by analysis of variance using Fisher's method. In addition, we employed quadratic discriminant analysis to differentiate the milk samples with accuracy of 100%. Our results suggest that time-resolved fluorescence can provide a new method to the analysis of powder milk and its composition.

  4. Strength Improvement of Clay Soil by Using Stone Powder

    Directory of Open Access Journals (Sweden)

    Ahmed Sameer Abdulrasool

    2015-05-01

    Full Text Available Soil stabilization with stone powder is a good solution for the construction of subgrade for road way and railway lines, especially under the platforms and mostly in transition zones between embankments and rigid structures, where the mechanical properties of supporting soils are very influential. Stone powder often has a unique composition which justifies the need for research to study the feasibility of using this stone powder type for ground improvement applications. This paper presents results from a comprehensive laboratory study carried out to investigate the feasibility of using stone powder for improvement of engineering properties of clays. The stone powder contains bassanite (CaSO4. ½ H2O, and Calcite (CaCO3. Three percentages are used for stone powder (1%, 3% and 5% by dry weight of clay. Several tests are made to investigate the soil behavior after adding the stone powder (Atterberg limits, Standard Proctor density, Grain size distribution, Specific gravity, Unconfined Compressive test, and California bearing ratio test. Unconfined Compressive tests conducted at different curing. The samples are tested under both soaked and unsoaked condition. Chemical tests and X-ray diffraction analyses are also carried out. Stone powder reacts with clay producing decreasing in plasticity and The curves of grain size distribution are shifted to the coarse side as the stone powder percentage increase; the soil becomes more granular, and also with higher strength.

  5. Internal friction in uranium dioxide

    International Nuclear Information System (INIS)

    Paulin Filho, Pedro Iris

    1979-01-01

    The uranium dioxide inelastic properties were studied measuring internal friction at low frequencies (of the order of 1 Hz). The work was developed in the 160 to 400 deg C temperature range. The effect of stoichiometry variation was studied oxidizing the sample with consequent change of the defect structure originally present in the non-stoichiometric uranium dioxide. The presence of a wide and irregular peak due to oxidation was observed at low temperatures. Activation energy calculations indicated the occurrence of various relaxation processes and assuming the existence of a peak between - 80 and - 70 deg C , the absolute value obtained for the activation energy (0,54 eV) is consistent with the observed values determined at medium and high frequencies for the stress induced reorientation of defects. The microstructure effect on the inelastic properties was studied for stoichiometric uranium dioxide, by varying grain size and porosity. These parameters have influence on the high temperature measurements of internal friction. The internal friction variation for temperatures higher than 340 deg C is thought to be due to grain boundary relaxation phenomena. (author)

  6. Report of the Carbon Dioxide Committee II

    International Nuclear Information System (INIS)

    1994-01-01

    The Carbon Dioxide Committee was given the task of preparing a suggestion of the acts aimed at reducing the greenhouse gas emissions and increasing the sinks of carbon in Finland. Emissions of all greenhouse gases were in 1990 80 million tons. calculated as carbon dioxide. The carbon dioxide emissions were about 58 million tons of the total. The increase of forest resources binds carbon from the atmosphere and reduces thereby net emissions of Finland at present by nearly 30 million tons of carbon dioxide. Carbon dioxide emissions will grow during the next decades, unless strong measures to control them will not be taken. As a result of the Commissions examination, acts will be needed both in the production of energy and in its consumption. Emissions can be reduced by replacing fossil fuels with nuclear energy, bioenergy and other renewable energy sources. Saving of energy and improvement of energy efficiency will limit carbon dioxide emissions. The Commission has made suggestions both to change the structure of energy production and to control the consumption of energy. (orig.)

  7. Oxygen stoichiometry and the structure of Tl[sub 2]Ba[sub 2]Ca[sub 2]Cu[sub 3]O[sub 10-y]. A high-resolution powder neutron diffraction study

    Energy Technology Data Exchange (ETDEWEB)

    Ogborne, D.M.; Weller, M.T.; Lanchester, P.C. (Dept. of Chemistry and Physics, Univ. of Southampton (United Kingdom))

    1992-09-15

    Samples of Tl[sub 2]Ba[sub 2]Ca[sub 2]Cu[sub 3]O[sub 10-y] have been prepared with three different oxygen stoichiometries by reaction under various oxygen gas partial pressures. Powder neutron diffraction studies on these materials show that for y > 0 oxygen vacancies exist in the thallium-oxygen layer; filling this site results in a contraction of the lattice with concomitant reduction in the apical Cu-O bond length but with an expansion of the copper-oxygen interlayer distance. These structural changes which occur as a function of oxygen content are discussed in terms of the superconducting properties of these materials. (orig.).

  8. Carbon dioxide absorbent and method of using the same

    Science.gov (United States)

    Perry, Robert James; O'Brien, Michael Joseph

    2014-06-10

    In accordance with one aspect, the present invention provides a composition which contains the amino-siloxane structures I, or III, as described herein. The composition is useful for the capture of carbon dioxide from process streams. In addition, the present invention provides methods of preparing the amino-siloxane composition. Another aspect of the present invention provides methods for reducing the amount of carbon dioxide in a process stream employing the amino-siloxane compositions of the invention, as species which react with carbon dioxide to form an adduct with carbon dioxide.

  9. Carbon dioxide absorbent and method of using the same

    Energy Technology Data Exchange (ETDEWEB)

    Perry, Robert James; O' Brien, Michael Joseph

    2015-12-29

    In accordance with one aspect, the present invention provides a composition which contains the amino-siloxane structures I, or III, as described herein. The composition is useful for the capture of carbon dioxide from process streams. In addition, the present invention provides methods of preparing the amino-siloxane composition. Another aspect of the present invention provides methods for reducing the amount of carbon dioxide in a process stream employing the amino-siloxane compositions of the invention, as species which react with carbon dioxide to form an adduct with carbon dioxide.

  10. Investigation of structural and magnetic properties of Ni0.5Zn0.5Fe2O4 nano powders prepared by self combustion method

    International Nuclear Information System (INIS)

    Sudheesh, V.D.; Nehra, J.; Vinesh, A.; Sebastian, V.; Lakshmi, N.; Dutta, Dimple P.; Reddy, V.R.; Venugopalan, K.; Gupta, Ajay

    2013-01-01

    Graphical abstract: Display Omitted Highlights: ► Ni 0.5 Zn 0.5 Fe 2 O 4 prepared by self combustion with uniform/nonuniform heating. ► Characterized using TEM, XRD, in-field Mössbauer and DC magnetometry. ► Leads to bimodal (S1) and very narrow size distribution (S2) type nano samples. ► S1 has magnetic properties of bulk Ni 0.5 Zn 0.5 Fe 2 O 4 . ► Although very even sized, S2 large magnetic anisotropy distribution. -- Abstract: Nano powders of Ni 0.5 Zn 0.5 Fe 2 O 4 have been synthesized by the self-combustion method at a relatively low temperature of 473 K under conditions of non-uniform and uniform heating. Rietveld fitting of X-ray diffractograms confirm the formation of the pure spinel phase in both samples. Transmission electron microscopy indicates that the sample prepared under non-uniform heating has a bimodal particle size distribution (average values 16 nm and 6 nm) while the one prepared under uniform heating has a very narrow particle size distribution (average size 4 nm). Low temperature, in-field Mössbauer spectroscopic studies clearly show surface spin contributions. The hyperfine fields and Curie temperature of the non-uniformly heated sample are in good agreement with those reported for the corresponding bulk samples. Despite having a very narrow particle size distribution, the uniformly heated sample has a large anisotropy distribution which is evident in the broad transition visible in the temperature dependent magnetization curve. It is also corroborated by the fact that the experimental magnetization curve at room temperature requires two Langevin functions for satisfactory reproduction.

  11. Optimization of process parameters in precipitation for consistent quality UO{sub 2} powder production

    Energy Technology Data Exchange (ETDEWEB)

    Tiwari, S.K.; Reddy, A.L.V.; Venkataswamy, J.; Misra, M.; Setty, D.S.; Sheela, S.; Saibaba, N., E-mail: misra@nfc.gov.in [Nuclear Fuel Complex, Hyderabad (India)

    2013-07-01

    Nuclear reactor grade natural uranium dioxide powder is being produced through precipitation route, which is further processed before converting into sintered pellets used in the fabrication of PHWR fuel assemblies of 220 and 540 MWe type reactors. The process of precipitating Uranyl Nitrate Pure Solution (UNPS) is an important step in the UO{sub 2} powder production line, where in soluble uranium is transformed into solid form of Ammonium Uranate (AU), which in turn reflects and decides the powder characteristics. Precipitation of UNPS with vapour ammonia is being carried out in semi batch process and process parameters like ammonia flow rate, temperature, concentration of UNPS and free acidity of UNPS are very critical and decides the UO{sub 2} powder quality. Variation in these critical parameters influences powder characteristics, which in turn influences the sinterability of UO{sub 2} powder. In order to get consistent powder quality and sinterability the critical parameter like ammonia flow rate during precipitation is studied, optimized and validated. The critical process parameters are controlled through PLC based automated on-line data acquisition systems for achieving consistent powder quality with increased recovery and production. The present paper covers optimization of process parameters and powder characteristics. (author)

  12. Optimization of process parameters in precipitation for consistent quality UO2 powder production

    International Nuclear Information System (INIS)

    Tiwari, S.K.; Reddy, A.L.V.; Venkataswamy, J.; Misra, M.; Setty, D.S.; Sheela, S.; Saibaba, N.

    2013-01-01

    Nuclear reactor grade natural uranium dioxide powder is being produced through precipitation route, which is further processed before converting into sintered pellets used in the fabrication of PHWR fuel assemblies of 220 and 540 MWe type reactors. The process of precipitating Uranyl Nitrate Pure Solution (UNPS) is an important step in the UO 2 powder production line, where in soluble uranium is transformed into solid form of Ammonium Uranate (AU), which in turn reflects and decides the powder characteristics. Precipitation of UNPS with vapour ammonia is being carried out in semi batch process and process parameters like ammonia flow rate, temperature, concentration of UNPS and free acidity of UNPS are very critical and decides the UO 2 powder quality. Variation in these critical parameters influences powder characteristics, which in turn influences the sinterability of UO 2 powder. In order to get consistent powder quality and sinterability the critical parameter like ammonia flow rate during precipitation is studied, optimized and validated. The critical process parameters are controlled through PLC based automated on-line data acquisition systems for achieving consistent powder quality with increased recovery and production. The present paper covers optimization of process parameters and powder characteristics. (author)

  13. Powder preparation and compaction behaviour of fine-grained Y-TZP

    NARCIS (Netherlands)

    Groot Zevert, W.F.M.; Winnubst, Aloysius J.A.; Theunissen, G.S.A.M.; Burggraaf, A.J.

    1990-01-01

    Two wet chemical preparation methods are described for yttria-doped tetragonal zirconia powders. Both methods yield powders with an extremely small crystallite size (8 nm) and a narrow size distribution. The agglomerate and aggregate structure of these powders have been investigated by several

  14. Structure resolution of Ba5Al3F19 and Iivestigation of fluorine ion dynamics by synchrotron powder diffraction, variable-temperature solid-state NMR, and quantum computations

    International Nuclear Information System (INIS)

    Martineau, C.; Fayon, F.; Suchomel, M.R.; Allix, M.; Massiot, D.; Taulelle, F.

    2011-01-01

    The room temperature structure of Ba 5 Al 3 F 19 has been solved using electron microscopy and synchrotron powder diffraction data. One-dimensional (1D) 27 Al and ultrafast magic-angle-spinning (MAS) 19 F NMR spectra have been recorded and are in agreement with the proposed structural model for Ba 5 Al 3 F 19 . The 19 F isotropic chemical shift and 27 Al quadrupolar parameters have been calculated using the CASTEP code from the experimental and density functional theory geometry-optimized structures. After optimization, the calculated NMR parameters of both the 19 F and 27 Al nuclei show improved consistency with the experimental values, demonstrating that the geometry optimization step is necessary to obtain more accurate and reliable structural data. This also enables a complete and unambiguous assignment of the 19 F MAS NMR spectrum of Ba 5 Al 3 F 19 . Variable-temperature 1D MAS 19 F NMR experiments have been carried out, showing the occurrence of fluorine ion mobility. Complementary insights were obtained from both two-dimensional (2D) exchange and 2D double-quantum dipolar recoupling NMR experiments, and a detailed analysis of the anionic motion in Ba 5 Al 3 F 19 is proposed, including the distinction between reorientational processes and chemical exchange involving bond breaking and re-formation.

  15. Reducing metal alloy powder costs for use in powder bed fusion additive manufacturing: Improving the economics for production

    Science.gov (United States)

    Medina, Fransisco

    AM. Alternative powders can be made by blending or re-spheroidizing HDH and CPTi powders. Machine modifications were performed to allow the testing and manufacturing with these low cost alternative powders. A comparison was made between alternative powders and gas atomized powders. Powders were compared in terms of morphology and at the microstructural level. Flowability of different powder blends was also measured. Finally, a comparison of parts fabricated from the multiple powder blends and gas atomized powder was made. It has been demonstrated that powder blending can produce fully dense parts in the Arcam system by utilizing the double melt technique or HIPing the built pars. The double melt technique increased the density of the sample part and modified the microstructure into finer martensitic grains. The HIP process can make a part fully dense regardless of what percentage of HDH powder blending is used. The HIP process yielded the same microstructure, regardless of the grain structure it started with. This research allows for the reduction of costs using titanium powders in the EBM system, but can also be implemented with more costly elements and alloys using other metal AM technologies. This includes niobium, tantalum, and nickel-based superalloys for use in various industries.

  16. LARC powder prepreg system

    Science.gov (United States)

    Baucom, Robert M.; Marchello, Joseph M.

    1990-01-01

    Thermoplastic prepregs of LARC-TPI have been produced in a fluidized bed unit on spread continuous fiber tows. The powders are melted on the fibers by radiant heating to adhere the polymer to the fiber. This process produces tow prepreg uniformly without imposing severe stress on the fibers or requiring long high temperature residence times for the polymer. Unit design theory and operating correlations have been developed to provide the basis for scale up to commercial operation. Special features of the operation are the pneumatic tow spreader, fluidized bed and resin feed systems.

  17. Fe-based nanocrystalline powder cores with ultra-low core loss

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Xiangyue, E-mail: wangxiangyue1986@163.com [China Iron and Steel Research Institute Group, Beijing 100081 (China); Center of Advanced Technology and Materials Co., Ltd., Beijing 100081 (China); Lu, Zhichao; Lu, Caowei; Li, Deren [China Iron and Steel Research Institute Group, Beijing 100081 (China); Center of Advanced Technology and Materials Co., Ltd., Beijing 100081 (China)

    2013-12-15

    Melt-spun amorphous Fe{sub 73.5}Cu{sub 1}Nb{sub 3}Si{sub 15.5}B{sub 7} alloy strip was crushed to make flake-shaped fine powders. The passivated powders by phosphoric acid were mixed with organic and inorganic binder, followed by cold compaction to form toroid-shaped bonded powder-metallurgical magnets. The powder cores were heat-treated to crystallize the amorphous structure and to control the nano-grain structure. Well-coated phosphate-oxide insulation layer on the powder surface decreased the the core loss with the insulation of each powder. FeCuNbSiB nanocrystalline alloy powder core prepared from the powder having phosphate-oxide layer exhibits a stable permeability up to high frequency range over 2 MHz. Especially, the core loss could be reduced remarkably. At the other hand, the softened inorganic binder in the annealing process could effectively improve the intensity of powder cores. - Highlights: • Fe-based nanocrystalline powder cores were prepared with low core loss. • Well-coated phosphate-oxide insulation layer on the powder surface decreased the core loss. • Fe-based nanocrystalline powder cores exhibited a stable permeability up to high frequency range over 2 MHz. • The softened inorganic binder in the annealing process could effectively improve the intensity of powder cores.

  18. Interaction of titanium and vanadium with carbon dioxide in heating

    International Nuclear Information System (INIS)

    Vlasyuk, R.Z.; Kurovskii, V.Y.; Lyapunov, A.P.; Radomysel'skii, I.D.

    1986-01-01

    To obtain prediction data on the change in properties of titaniumand vanadium-base powder metallurgy materials operating in a carbon dioxide atmosphere, and also to clarify the mechanism of their interaction with the gas in this work, gravimetric investigations of specimens heated at temperatures of 300-1000 C and an x-ray diffraction analysis of their surface were made and the composition of the gas in the heating chamber was studied. The results of the investigations indicate a similarity between the mechanisms of interaction of titanium and vanadium with carbon dioxide including the formation of oxides on the surface of the metal with subsequent carbidization at temperatures above 800 C. On the basis of the data obtained, it may be concluded that the operating temperature limits of titanium- or vanadium-base materials in carbon dioxide must not exceed 400 and 600 C, respectively

  19. Obtainment of TiO2 powders solar cells photo electrodes dye sensitized

    International Nuclear Information System (INIS)

    Forbeck, Guilherme; Folgueras, Marilena V.; Chinelatto, Adilson L.

    2012-01-01

    Titanium dioxide in its polymorphic anatase phase, presents interesting properties for solar cells photo electrodes dye sensitized such as the forbidden energy band, high refractive index and high constant dielectric. In this study, powders of nanometric titanium dioxide were produced with predominantly the anatase phase and high surface area. We used the sol-gel method, and titanium tetraisopropoxide as a precursor, which was hydrolyzed in nitric acid solution. The obtained powder was heated to 450 ° C, varying the time for each lot (0, 20 or 120 minutes). The powders were characterized by X-ray diffraction, atomic force microscopy and surface area analysis. For all lots nanosized crystallites predominated. It was observed that in the batch with 120min heating an increase rutile content. The TiO 2 with 20min heating showed high surface area, greater than that of TiO 2 as taken reference

  20. Micro-powder injection moulding of tungsten

    International Nuclear Information System (INIS)

    Zeep, B.

    2007-12-01

    For He-cooled Divertors as integral components of future fusion power plants, about 300000 complex shaped tungsten components are to be fabricated. Tungsten is the favoured material because of its excellent properties (high melting point, high hardness, high sputtering resistance, high thermal conductivity). However, the material's properties cause major problems for large scale production of complex shaped components. Due to the resistance of tungsten to mechanical machining, new fabrication technologies have to be developed. Powder injection moulding as a well established shaping technology for a large scale production of complex or even micro structured parts might be a suitable method to produce tungsten components for fusion applications but is not yet commercially available. The present thesis is dealing with the development of a powder injection moulding process for micro structured tungsten components. To develop a suitable feedstock, the powder particle properties, the binder formulation and the solid load were optimised. To meet the requirements for a replication of micro patterned cavities, a special target was to define the smallest powder particle size applicable for micro-powder injection moulding. To investigate the injection moulding performance of the developed feedstocks, experiments were successfully carried out applying diverse cavities with structural details in micro dimension. For debinding of the green bodies, a combination of solvent debinding and thermal debinding has been adopted for injection moulded tungsten components. To develop a suitable debinding strategy, a variation of the solvent debinding time, the heating rate and the binder formulation was performed. For investigating the thermal consolidation behaviour of tungsten components, sinter experiments were carried out applying tungsten powders suitable for micro-powder injection moulding. First mechanical tests of the sintered samples showed promising material properties such as a