The interpretation of solution hydrodynamic data in terms of macromolecularstructural parameters is not a straightforward task. Over the years, several approaches have been developed to cope...Full Text Available
High resolution structural elucidation of macromolecularstructure by solid-state nuclear magnetic resonance requires the preparation of uniformly aligned samples that are isotopically labeled. In...Full Text Available
Assessment of subtle changes in the primary macromolecular components of cartilage, proteoglycan (PG) and collagen, is critical for the diagnosis of early stages of osteoarthritis (OA), but...Full Text Available
Abstract The creation of chirality on Earth and the development of chiral life have been discussed in this highlight. Convincing evidence for the introduction of chirality on Earth is still fragmentary. We believe that by a combination of chiral crystallization and formation of helical polymers with preferred chiral conformational structure is the key to this question. This concept of macromolecular asymmetry has inspired ideas and resulted in possible rules for how chiral life as we know it, could have been introduced. These investigations needed the understanding of the requirements for chiral crystallization, for the stereochemistry of the initial formation of helical polymers, the measurements of optical activity of solids and their coordination with the fundamentals of chirality. Spac...
The objective of this research was to convert coal into a soluble substance under mild conditions. The strategy involved two steps, first to breakdown the macromolecular network of coal, and second to add hydrogen catalytically. We investigated different basic reagents that could, in priciple, break down coal's structure and alkylation strategies that might enhance its solubility. We examined O- and C-alkylation, the importance of the strength of the base, the character of the added alkyl groups and other reaction parameters. This work provided new information concerning the way in which hydrogen bonding, polarization interactions between aromatic structures and covalent bonding could be disrupted and solubility enhanced. The objective of our research was to explore new organochromium chemistry that might be feasible for the hydrogenation of coal under mild conditions.
One of the main goals in the determination of three-dimensional macromolecularstructures from electron microscope images of individual molecules and complexes (single particles) is a sufficiently high spatial resolution, about 4 A, at which the interpretation with an atomic model becomes possible. To reach high resolution, an iterative refinement procedure using an expectation maximization algorithm is often used that leads to a more accurate alignment of the positional and orientational parameters for each particle. We show here the results of refinement algorithms that use a phase residual, a linear correlation coefficient, or a weighted correlation coefficient to align individual particles. The algorithms were applied to computer-generated data sets that contained projections from model structures, as well as noise. The algorithms show different degrees of over-fitting, especially at high resolution where the signal is ...
Analysis of results of an investigation into the structure of lithium salt aqueous solutions is presented. An anomaly in lithium ion behaviour in solutions at the structural level is noted. 40 refs., 3 tabs.
Low-temperature catalytic pretreatment is a promising approach to the development of an improved liquefaction process- This work is a fundamental study on effects of pretreatments on coal structure and reactivity in liquefaction. The main objectives of this project are to study the coal structural changes induced by low-temperature catalytic and thermal pretreatments by using spectroscopic techniques; and to clarify the pretreatment-induced changes in reactivity or convertibility of coals in the subsequent liquefaction. This report describes the recent progress of our work. Substantial progress has been made in the spectroscopic characterization of structure and pretreatment-liquefaction reactions of a Montana subbituminous Coal (DECS-9), and thermochemical analysis of three mw and reacted bituminous coals. Temperature programmed liquefaction has been performed on three low-rank coals both in the presence and absence of ...
A high performance liquid chromatography (HPLC) procedure suitable for the simultaneous determination of the molecular size and concentration of macromolecular hyaluronate and proteoglycans in synovial...Full Text Available
All eukaryotes require mitochondria for survival and growth. The origin of mitochondria can be traced down to a single endosymbiotic event between two probably prokaryotic organisms. Subsequent evolution...Full Text Available
The pattern of biodegradation and the chemical changes occurring in the macromolecular fraction of domestic sludge during autothermal thermophilic aerobic digestion (ATAD) was monitored and characterised...Full Text Available
Two electroactive polymeric arylene bisimides, namely poly[(4,7,10-trioxatrideca-1,13-diyl)-(1,4,5,8-naphthalenetetracarboxylic bisimide-N,N'-diyl)] and its perylene analogue - poly[(4,7,10-trioxatrideca-1,13-diyl)-(3,4,9,10-perylenetetracarboxylic bisimide-N,N'-diyl)] have been synthesized and studied by cyclic voltammetry, UV-vis-NIR as well as Raman spectroeletrochemistry. Contrary to low molecular weight arylene bisimides, which show a clear two electron, double-step electrochemical reduction (neutral form to radical anion and from radical anion to dianion), in the synthesized polymers multielectron transfers are observed, accompanied with a strong electrochromic effect. However, as probed by cyclic voltammetry, their first reduction step is retarded and covers a wider potential range. We attribute this effect to macromolecular nature of the compounds being reduced and their structural inhomogeneity caused by ?-stacking induced ...
N/C and S/C ratios show only minor differences between asphaltenes and coal on this basis, the asphaltenes continue to appear to be good surrogates for the characterization of organic acid rain precursors in coal. Alkylmethoxythiophene carboxylic acids (ATCA) are detected in all dichromate oxidation products analyzed to date. Relative concentrations of ATCA compounds are directly proportional to the sample`s bulk organic sulfur contents. Concentrations of ATCA compounds in oxidation products decrease upon repeated oxidation. This may indicate that the thiophenic groups tend to be located in external positions on the coal macromolecularstructure and a high proportion of them can be stripped away with only one mild oxidation step. If true, this may make industrial-scale removal of organic sulfur easier than expected. Using analytical micropyrolysis-gas chromatography with a sulfur-selective flame photometric detector, it is possible to easily ...
Rheological properties of moderately concentrated solutions of cellulose in methylmorpholine N-oxide-dimethylformamide mixtures containing hydrophilic montmorillonite nanoparticles were studied. Film composite materials were prepared, and their physicomechanical properties and structural organization were studied.
In order to obtain the electronic structure of leucine (Leu) in aqueous solution, we studied three systems: Leu+7H2O, Leu+8H2O and Leu+9H2O. The results indicated that the system Leu+8H2O was the only choice which was both acceptable and doable: its computational effort was affordable, and it could simulate a main part of the solvent effect on the electronic structure of Leu in solution. Based on the system Leu+8H2O, all-electron, ab initio calculations were performed to construct an equivalent potential of water for the electronic structure of Leu with dipoles. The results showed that the main effect of water on the electronic structure of Leu was raising the occupied states about 0.0824 Ry on average, and broadening the energy gap by 11%. The water effect on the electronic structure of L...
The aim of this study is to evaluate the specificities of the irradiation of drugs in frozen aqueous solution. The structures of the degradation products were determined to gain insight into the radiolysis mechanisms occurring in frozen aqueous solutions. Metoclopramide hydrochloride and metoprolol tartrate were chosen as models. The frozen solutions were irradiated at dry ice temperature by high energy electrons at various doses. The drug purity (chemical potency) and the radiolysis products were quantified by HPLC-DAD. Characterization of the degradation products was performed by LC-APCI-MS-MS. The structures of the radiolysis products detected in irradiated frozen aqueous solutions were compared to those detected in solid-state and aqueous solutions (previous studies). For both metoclop...
The effects of selected ligands on the structure of the truncated heavy-chain chemomechanical motor domains of Drosophila ncd and human kinesin were compared using the technique of transient electric...Full Text Available
Despite prolonged scientific efforts to unravel the hydration structures of ions in water, many open questions remain, in particular concerning the existences and structures of ion clusters in 1∶1...Full Text Available
The acetylcholine receptor from the electric tissue of Torpedo californica is a large, integral membrane protein containing four different types of polypeptide chains. The structure of the purified...Full Text Available
Pile foundations are extensively used to support off-shore and on-shore structures. Under dynamic loads, the behavior of single pile is well understood. However the soil-pile-soil interaction studies are confusing, on which account the analyses do not necessarily predict response of the systems which may match satisfactorily with the performances. In this paper, the nature of dynamic loads is described, and solutions for soil-pile and pile-soil-pile interaction solutions by several authors are presented and a critical evaluation is made.
E-beam and gamma products from the radiolysis of aqueous solutions of (+-)-metoprolol tartrate, saturated in nitrogen, are analyzed by HPLC with on-line mass and UV detectors. The structures of 10 radiolytic products common to e-beam and gamma irradiations are elucidated by comparing their fragmentation pattern to that of (+-)-metoprolol. Two of the radiolytic products are also metabolites. Different routes for the formation of the radiolytic products are proposed.
The pH of the solution is shown to significantly effect the reflection anisotropy spectroscopy (RAS) profiles of adenine adsorbed at Au(110)/electrolyte interfaces. At pH 12.8 the net adsorption is very weak due the formation of negative adenine ions in solution. The sensitivity of the RAS profiles to the pH of the solution is probably due to a change in the geometry of the adsorbed molecules caused by a disruption of the base stacking configuration that is adopted when adenine is adsorbed from solutions at pH 7.1. (Abstract Copyright [2010], Wiley Periodicals, Inc.)
Necessary and sufficient conditions for a minimax solution to the Cauchy problem for the Hamilton-Jacobi-Bellman equation are obtained as viability conditions for classical characteristics inside the graph of this solution. Using this property, a representative formula for a one-dimensional conservation law in terms of classical characteristics is derived. An estimate of the numerical integration of the characteristic system is presented and errors of numerical realizations of representative formulas are determined for the conservation law and its potential equal to the minimax solution of the Hamilton-Jacobi-Bellman equation.
The small-angle X-ray scattering technique was used to determine the intermolecular structure and interaction potentials in oxi-and deoxi-hemoglobin solutions. The pair correlation function obtained by the ZERNICKE-PRINS equation characterizes the intermolecular structure of the hemoglobin molecules. The intermolecular structure is concentration dependent. The hemoglobin molecules have a 'short range order structure' with a range of about 4 molecule diameters at 324 g/l. The potential functions of the hemoglobin-hemoglobin interaction have been determined on the basis of fluid theories. Except for the deoxi-hemoglobin solution having the concentration 370 g/l, the pair interaction consists in a short repulsion and a weak short-range attraction against kT. The potential minimum is between 1.2 - 1.5 nm above the greatest hemoglobin diameter. (author).
The behaviour of the packaging materials under radiation field has a great importance in radiation processing, because, in most cases, they are finally responsible for the preservation of the beneficent changes achieved in irradiated products. For example, in radiation sterilisation and food irradiation, the packages must preserve the sterilisation, respectively the sanitisation. They must preserve also the physical barrier feature. The radiation effects on plastics were extensively studied in the last decades for nuclear industry and more recently for radiation processing. The two major effects of nuclear radiation on polymeric materials are the degradation and cross-linking. The degradation consists in breaking of macromolecules after interaction with nuclear particles, amplified by the free radicals which persist long periods, especially in crystalline polymers. Oxygen could penetrate the sample and interact with free radicals so that the degradation process continues after the ...
In the universe there are two different kinds of uncertain phenomena: stochastic and fuzzy or vague. Both uncertain phenomena have been found in structural problems. Therefore, rational decisions concerning the design of marine structures cannot be made without resorting to the methods which can take the uncertainties into account. The fundamental concept of structural fuzzy reliability problems and the methods to give the fuzzy solution are introduced in the paper. Based on the principle of fuzzy decision-making the method to obtain the crisp solution of structural fuzzy reliability analysis is proposed by means of the Bound Search method. Illustrative numerical examples, ship bottom plates under slamming impact pressures are solved. The influence of variation of allowable tolerances in the fuzzy reliability indexes is discussed.
Abstract in english Structural characterisations using the SAXS technique in a number of nanoheterogeneous materials and liquid solutions are reviewed. The studied systems are protein (lysozyme)/water solutions, colloidal ZnO particles/water sols, nanoporous NiO-based xerogels, hybrid organic-inorganic siloxane-PEG and PPG nanocomposites and PbTe semiconductor nanocrystals embedded in a glass matrix. These investigations also focus on the transformations of time-varying structures and on str (more) uctural changes related to variations in temperature and composition. The reviewed investigations aim at explaining the unusual and often interesting properties of nanostructured materials and solutions. Most of the reported studies were carried out using the SAXS beamline at the National Synchrotron Light Laboratory (LNLS), Campinas, Brazil.
In this systematic examination of some of the spectroscopic properties of the f-elements we deal with both the trivalent lanthanides and actinides. We summarize the present status of our energy level calculations in single crystal matrices and in aqueous solution, and compare the predicted crystal-field structure in certain low-symmetry sites with that observed. Some interesting new structural insights are thereby gained. The state eigenvectors from these calculations are then used in part in reassessing and interpreting the intensities of transitions in aqueous solution via the Judd-Ofelt theory. The parameters of this theory derived from fitting experimental data are compared with those computed from model considerations. Finally, we discuss some recent contributions to the interpretation of excited state relaxation processes in aqueous solution. 79 references, 23 figures, 17 ...
In conventional power plants trash-racks are provided at the intakes to protect the turbines. In pumped storage plants, the draft tube or tailrace must also have trash-racks to protect the units while pumping. Because the loads believed to cause many failures of trash-racks are dynamic in nature, it is important to understand the dynamic characteristics of trash-racks structures in general and a single rack in particular. The classical added-mass solutionstructure-fluid dynamic interaction is known as an approximate solution procedure. An accurate added-mass approach mixed with implementation in finite element framework is proposed. In this proposal, experimental conclusions, supported by theory, led to presentation of more accurate results in vibration of trash-racks. This numerical solution as a powerful method to solve such a complex problem can be employed to carry out dynamic ...
The structures of bromocopper(II) complexes in methanolic (M1, M2, M3, M4), ethanolic (E), and aqueous (H) solutions were determined by the analyses of the Cu K- and Br K-edge EXAFS spectra using a curve-fitting method. The molar concentrations of Cu and Br in these solutions prepared by CuBr_2 and LiBr are 0.996 and 1.992 (M1), 1.015 and 5.381 (M2), 0.493 and 4.525 (M3), 0.260 and 4.073 (M4), 1.031 and 4.313 (E), and 0.982 and 5.426 (H). In M1 solution the interatomic distances for the Cu-O_e_q, Br_e_q-Cu, and Br_e_q-O_e_q (_e_q = equatorial) were 2.00A, 2.35A, and 3.15A respectively, and the Br_e_q-Cu-O_e_q angle was estimated as about 92 deg. Therefore, trans-dibromo bis(methanol)copper(II) complex with a slightly distorted planar structure was proposed to be dominant complex species in M1 solution. The interatomic distances in M2, M3, M4 and E ...
In relation to coal liquefaction, the effect of inorganic minerals on liquefaction reactivity and the effect of hydrofluoric acid (HF) treatment on organic molecular structure of coals were studied by demineralization of low-rank coals in HCl or HF solution. In experiment, Taiheiyo coal specimen was deashed in HCl solution at 25-70{degree}C for 6 hours while agitating, and in addition, deashed in HF solution. Hydrogenolysis of the deashed coal specimen was conducted using tetralin or methylnaphthalene as solvent under initial hydrogen pressure of 1.96MPa at reaction temperature of 693K for 60min. The experimental results are as follows. The ash content of Taiheiyo coal hardly offers catalysis in hydrogenolysis reaction. Carboxyl group increases in demineralization of coal because of breakage of bridged bonds. Organic structure of coal changes by demineralization in dense HF ...
Crystallization points of aqueous solution of the systems M(ClO_4)_2-H_2O (M"2 = Mg"2"+, Ca"2"+, Sr"2"+, Ba"2"+), depending on the salt concentration, were identified by visual-polythermal method. Relying on model notions on the structure of the electrolyte solutions, specific features of strontium perchlorate solubility polytherm and concentration dependence of the relative dynamic viscosity of the salt aqueous solutions are discussed
The interaction between gravity convection and Marangoni convection in a horizontal rectangular channel filled with a liquid containing a surfactant and a drop of another liquid is numerically investigated. For large Schmidt numbers the occurring oscillatory regime of solutal convection is analyzed. In the model with a surface phase the effect of the adsorption and desorption processes on the convective flow structure is determined. The corresponding initial and boundary value problem is solved using a difference method.
The quantum behavior of the vacuum Bianchi type-IX universe with the cosmological constant is investigated in terms of the Ashtekar variables. An exact solution to the quantum Hamiltonian constraint in the holomorphic representation is given. This solution reduces to the Hartle-Hawking wave function in the spatially isotropic sector and extends in the triad representation to the classically forbidden region where the determinant of the spatial metric becomes negative. The analysis of the quantum Robertson-Walker universe indicates that if the superspace is extended to such a classically forbidden region, the holomorphic representation picks up some restricted class of solutions in general. This observation leads to a new ansatz on the boundary condition of the Universe. In particular, the behavior of the Lorentzian and Euclidean WKB orbits corresponding to the solution suggests a new picture on the ...
The quantum behavior of the vacuum Bianchi type-IX universe with the cosmological constant is investigated in terms of the Ashtekar variables. An exact solution to the quantum Hamiltonian constraint in the holomorphic representation is given. This solution reduces to the Hartle-Hawking wave function in the spatially isotropic sector and extends in the triad representation to the classically forbidden region where the determinant of the spatial metric becomes negative. The analysis of the quantum Robertson-Walker universe indicates that if the superspace is extended to such a classically forbidden region, the holomorphic representation picks up some restricted class of solutions in general. This observation leads to a new ansatz on the boundary condition of the Universe. In particular, the behavior of the Lorentzian and Euclidean WKB orbits corresponding to the solution suggests a new picture on the ...
Polypyrrole (PPy) was prepared from different mixed-surfactant solutions with ammonium persulfate as an oxidant. Three types of combinations were selected, including cationic/anionic, cationic/nonionic, and anionic/nonionic mixed-surfactant solutions. The surfactants used in the experiments included cetyltrimethylammonium bromide (cationic surfactant), sodium dodecyl sulfate (anionic surfactant), sodium dodecyl sulfonic acid salt (anionic surfactant), poly(vinyl pyrrolidone) (nonionic surfactant), and poly(ethylene glycol) (nonionic surfactant). The morphology, structure, and conductivity of the resulting PPy were investigated in detail with scanning electron microscopy, Fourier transform infrared spectra, and the typical four-probe method, respectively. The results showed that the interac...
The chemical composition and the semiconducting properties of passive films formed on nickel based alloy (Alloy 600) in acidic sulphate solution, pH 2.0 at room temperature were studied using Auger analysis, voltammetric techniques and the Mott-Schottky approach. The results obtained revealed that the presence of both chromium and mixed nickel-iron oxides in the films leads to the development of a p-n heterojunction, which controls their electronic structure, similarly manner to the case of stainless steels and Alloy 600 in borate buffer solution. This behavior has been interpreted as representing of an oxide system, which has a duplex character, with an inner p-type semiconducting region, mainly formed by chromium oxide and an outer n-type semiconducting region, containing iron oxide. It could also be observed that the nickel oxide present in the films acts as a barrier layer conferring improved protection.
The chemical composition and the semiconducting properties of passive films formed on nickel based alloy (Alloy 600) in acidic sulphate solution, pH 2.0 at room temperature were studied using Auger analysis, voltammetric techniques and the Mott-Schottky approach. The results obtained revealed that the presence of both chromium and mixed nickel-iron oxides in the films leads to the development of a p-n heterojunction, which controls their electronic structure, similarly manner to the case of stainless steels and Alloy 600 in borate buffer solution. This behavior has been interpreted as representing of an oxide system, which has a duplex character, with an inner p-type semiconducting region, mainly formed by chromium oxide and an outer n-type semiconducting region, containing iron oxide. It could also be observed that the nickel oxide present in the films acts as a barrier layer conferring improved protection.
The aim of this study was to assess the feasibility of radiosterilization of drugs aqueous solutions and to evaluate the effects of some additives, such as mannitol, nicotinamide and pyridoxine, which might protect the drug from degradation. Metoclopramide was selected as a model drug. The structures of the degradation products were determined to gain insight on the radiolysis mechanisms in aqueous solution in order to design strategies to lower the drug degradation.Metoclopramide hydrochloride aqueous solutions with and without excipients were irradiated either with gamma rays or high-energy electrons. HPLC-DAD was used to measure the loss of chemical potency and to quantify the degradation products which were also characterized by LC-APCI-MS-MS. Metoclopramide recovery for gamma and elec...
X-Ray reflectivity has been used to investigate the microstructural changes of solution-cast stearic acid films before and after immersion in CoCl{sub 2} solutions. Before immersion, the films possess a well-defined layered structure with an interlayer spacing of 4.01{+-}0.05 nm. After the films were immersed in the CoCl{sub 2} solutions, a new set of equidistant diffraction peaks emerge, the corresponding interlayer spacing of which is 5.13{+-}0.05 nm. The X-ray photoelectron spectra of the films indicate the existence of cobalt ions inside the films after immersion. It is concluded that the permeation of the cobalt ions into the hydrophilic interlayer causes the stearic acid molecules to reorient perpendicular to the films, resulting in the increase of interlayer spacing and the roughening of the interfaces.
The alloy of Ti-Al-Mo-V-Cr system is studied for its structure in a strained state and specific features of #beta#-#alpha# transformation in a #beta#-matrix and deformation twins on ageing. It is determined that preliminary deformation initiates the decomposition of solid solution on aging. In a metastable #beta#-titanium alloy the substructure of deformation twins is shown to vary essentially with aluminium and chromium partial substitution for molybdenum and vanadium
The effects of H, Ca, and anaerobiosis upon loss of K to ambient solutions, upon changes in the fine structure, and upon the respiration of corn root tissue were studied. In the pH range 5.5 to 8.0...Full Text Available
The authors investigate the breakdown luminescence spectra in reverse-biased p-n heterojunctions based on gallium and aluminum phosphides and arsenides for the purpose of determining their behavior as lasing and photodetection materials. Data are given on temperature coefficients, band gap structure, bremsstrahlung, hot carrier mobility and photon emission, and transition and recombination parameters.
In this paper we study half-BPS type IIB supergravity solutions with multiple $AdS_3\\times S^3\\times M_4$ asymptotic regions, where $M_4$ is either $T^4$ or $K_3$. These solutions were first constructed in [1] and have geometries given by the warped product of $AdS_2 \\times S^2 \\times M_4 $ over $\\Sigma$, where $\\Sigma$ is a Riemann surface. We show that the holographic boundary has the structure of a star graph, i.e. $n$ half-lines joined at a point. The attractor mechanism and the relation of the solutions to junctions of self-dual strings in six-dimensional supergravity are discussed. The solutions of [1] are constructed introducing two meromorphic and two harmonic functions defined on $\\Sigma$. We focus our analysis on solutions corresponding to junctions of three different conformal field theories and show that the conditions for having a ...
The single-electrode capacitance of a nano-porous carbon electrode used as an electric double layer capacitor was measured. The charged state of the electrolyte ion was discussed from the results. Single-electrode capacitance was not proportional to the specific surface area of the electrode. This implies that the whole surface of the electrode is not effective for the formation of an electric double layer. It is considered that edge orientation of the carbon structure would give a dominant contribution to capacitance. For measurements with aqueous solutions of various electrolytes, capacitance was about the same value for each salt compound. For aqueous acid solution, on the other hand, capacitance was twice to three times as large as that for salt compounds. This difference, however, became negligibly small if the concentration of electrolyte solution was lowered. Taking account of the hydrated ionic ...
Here we present evidence that in water/acetonitrile solvent detailed structural and dynamic information can be obtained for important proteins that are naturally present as oligomers under native conditions. An NMR-derived human insulin monomer structure in H{sub 2}O/CD{sub 3}CN, 65/35 vol%, pH 3.6 is presented and compared with the available X-ray structure of a monomer that forms part of a hexamer (Acta Crystallogr. 2003 Sec. D59, 474) and with NMR structures in water and organic cosolvent. Detailed analysis using PFGSE NMR, temperature-dependent NMR, dilution experiments and CSI proves that the structure is monomeric in the concentration and temperature ranges 0.1-3 mM and 10-30 deg. C, respectively. The presence of long-range interstrand NOEs, as found in the crystal structure of the monomer, provides the evidence for conservation of the tertiary ...
Hung and Quyen's model (analysis of strategic interactions between players in the game theoretic framework) is first recapitulated. Solutions to the embargo game with the seller acting as the Stackelberg leader in both periods. Then the timing coordination issue is discussed and perfect equilibrium outcomes under different structures of leader-follower in the game are compared. Numerical simulations show that the structure corresponding to alternated leadership from one period to the other yields the perfect equilibrium outcome that is Pareto improving with respect to the structure where the buyer is first mover in both periods and Pareto dominant for some specific values of the parameters embedded in the game.
Passivity of aluminum (Al) alloy 3003 in air and in aqueous solutions without and with chloride ions was characterized by electrochemical measurements, including cyclic polarization, electrochemical impedance spectroscopy (EIS), localized EIS and potential of zero charge, Mott-Schottky analysis and secondary ion mass spectroscopy (SIMS) technique. Stability, pitting susceptibility and repassivation ability of Al alloy 3003 under various film-forming conditions were determined. Results demonstrated that passive films formed on 3003 Al alloy in air and in Na2SO4 solution without and with NaCl addition show an n-type semiconductor in nature. The passive film formed in chloride-free solution is most stable, and that formed in chloride-containing solution is most unstable, with the film formed in air in between. Pitting of Al alloy 3003 passivated both in air and in aqueous solutions is ...
The energy dispersive beamline X6A at the National Synchrotron Light Source employs a curved crystal monochromator (polychromator) which focuses a range ([similar to]1 keV) of x-ray energies into a narrow (100--120 [mu]m) line image. Although this beamline was constructed primarily for time-dependent EXAFS experiments, we have begun to explore the use of this instrument for energy dispersive diffraction experiments with different types of sample including macromolecular crystals. The tunability ([ital E]=6.5 to 21 keV) and flexibility ([Delta][ital E]=100--1000 eV) of the instrument makes the beamline ideal as a test bed for the application of polychromatic single-crystal diffraction techniques to different chemical or biological materials.
Whereas supersaturated aluminum alloys demonstrate enhanced passivity, conventional aluminum alloys spontaneously pit in air-saturated chloride solutions. We have concentrated on three areas: evaluation and characterization of Al-W alloys, which exhibit the best corrosion performance of any alloy system studied to date; characterization of the passive-film structure of Al-Mo alloys; and production and characterization of Al-W and Al-Ta powders, which will be used for compaction into bulk material. Surface analysis of the Al-W passive films formed during polarization show surprising little oxidized solute compared to other alloys. These results indicate that the barrier layer formation and electrostatic repulsion mechanisms used to explain the passivity of other alloys are not involved here. Instead the W may act to stabilize the passive film structure in a way similar to the way molybdenum acts in Al-Mo ...
The thermodynamics of protonation and europium(III) complex formation with substituted methane diphosphonic acids have been reported recently. These ligands form strong complexes with europium in moderately acidic solutions ((H{sup +}) {ge} 0.1 M), conditions not conducive to complexation by most carboxylate and aminopolycarboxylate ligands. A correlation of log {beta} vs pK{sub a} values for phosphonate and carboxylate ligands is used to explore the effect of ligand structure on complex stability. 5 refs., 1 fig.
This paper reports on hydrolysis of 10 metal salt aqueous solutions of 6 metal oxides that was conducted in supercritical water. Continuous and rapid production of metal oxide fine particles was achieved by mixing a metal salt aqueous solution with preheated water fed from another line. The reaction time required was less than 2 min. Particle size, morphology, and crystal structure of the obtained metal (hydrous) oxides were examined. Particle size (20 to 600 nm) was different among the system but the size range was relatively narrow in all the cases.
In the Aqueous Self-Cooled Blanket (ASCB) concept, an aqueous "6Li solution in a metallic structure is used as a shielding-breeding blanket for fusion reactors. The experimental results of this study indicate that the radiolytic gas production in an ASCB will be proportional to the absorbed radiation energy. The observed radiation chemical yields allow the preliminary estimation of the radiolysis effects for a specific ASCB design. Contrary to the theoretical predictions, the use of hydrogen as a cover gas at up to 1 MPa had no measurable effect on the radiolytic gas production. Probably it will thus not be possible to suppress the radiolytic decomposition of a low-pressure ASCB by the addition of hydrogen. Catalytic recombination will be required. (orig.).
By using a model independent Monte Carlo approach, we study the possible structure of charged and neutral lepton mass matrices, under the assumption of an U(2) horizontal symmetry (additional to the usual Standard Model ones) involving the light fermion generations. We assume the most general Majorana mass matrix for neutrinos. We update the results of our previous similar study, by inserting in the analysis the recent KamLAND data, that contributed to find a final solution to the Solar neutrino problem. The introduction of the new experimental data reduce the allowed regions in the nine dimensional space parameters, and show that our procedure gives stable solutions.
The aim of this study was to investigate the photodegradation of the antiemetic drug metoclopramide. Metoclopramide aqueous solutions were photoirradiated at 254nm under argon atmosphere. Irradiated metoclopramide solutions were analyzed by high performance liquid chromatography-ion trap mass spectrometry in order to characterize photolysis products. Rapid decrease in metoclopramide purity, following first-order kinetic, was observed following irradiation. The structures of 18 photolysis products were tentatively identified based on their mass spectra and fragmentation. The main degradation mechanism was scission of the chlorine which could be followed by polymerization of the resulting products since dimeric and trimeric products were observed.
A new metaheuristic optimisation algorithm, called Cuckoo Search (CS), was developed recently by Yang and Deb (2009). This paper presents a more extensive comparison study using some standard test functions and newly designed stochastic test functions. We then apply the CS algorithm to solve engineering design optimisation problems, including the design of springs and welded beam structures. The optimal solutions obtained by CS are far better than the best solutions obtained by an efficient particle swarm optimiser. We will discuss the unique search features used in CS and the implications for further research.
The experimental results of the components substitution effect on crystal structure, electronic transport properties, and Eu effective valence in solid solutions based on EuCu{sub 2}Si{sub 2} and EuPd{sub 2}Si{sub 2} ternary compounds are presented. It is shown, that when the Eu effective valence reaches the critical value {nu}{sup cr}{sub eff}=2.1, corresponding to degeneration of the 4f{sup 7} and 4f{sup 6} configurations, the condition of the concentrated Kondo system and an essential perturbation of the band electron spectrum near the Fermi level occur. (orig.).
The experimental results of the components substitution effect on crystal structure, electronic transport properties, and Eu effective valence in solid solutions based on EuCu_2Si_2 and EuPd_2Si_2 ternary compounds are presented. It is shown, that when the Eu effective valence reaches the critical value #nu#"c"r_e_f_f=2.1, corresponding to degeneration of the 4f"7 and 4f"6 configurations, the condition of the concentrated Kondo system and an essential perturbation of the band electron spectrum near the Fermi level occur. (orig.).
Semiconductor properties of passive films formed on the Fe-18Cr alloy in a borate buffer solution (pH = 8.4) and 0.1 M H{sub 2}SO{sub 4} solution were examined using a photoelectrochemical spectroscopy and an electrochemical impedance spectroscopy. Photo current reveals two photo action spectra that derived from outer hydroxide and inner oxide layers. A typical n-type semiconductor behaviour is observed by both photo current and impedance for the passive films formed in the borate buffer solution. On the other hand, a negative photo current generated, the absolute value of which decreased as applied potential increased in the sulfuric acid solution. This indicates that the passive film behaves as a p-type semiconductor. However, Mott-Schottky plot revealed the typical n-type semiconductor property. It is concluded that the passive film on the Fe-18Cr alloy formed in the borate buffer ...
Semiconductor properties of passive films formed on the Fe-18Cr alloy in a borate buffer solution (pH = 8.4) and 0.1 M H_2SO_4 solution were examined using a photoelectrochemical spectroscopy and an electrochemical impedance spectroscopy. Photo current reveals two photo action spectra that derived from outer hydroxide and inner oxide layers. A typical n-type semiconductor behaviour is observed by both photo current and impedance for the passive films formed in the borate buffer solution. On the other hand, a negative photo current generated, the absolute value of which decreased as applied potential increased in the sulfuric acid solution. This indicates that the passive film behaves as a p-type semiconductor. However, Mott-Schottky plot revealed the typical n-type semiconductor property. It is concluded that the passive film on the Fe-18Cr alloy formed in the borate buffer solution ...
Iron oxide thin films have been obtained by spray pyrolysis using 100% methanolic and ethanolic solutions of iron tri-chloride. The films were deposited onto ITO-coated glass substrates. The preparative conditions have been optimized to obtain compact, pin-hole-free and smooth thin films which are adherent to the substrate. The structural, morphological and compositional characterizations have been carried out by X-ray diffraction, scanning electron microscopy and energy dispersive X-ray analysis. The films deposited using ethanolic solution results into pure hematite; #alpha#-Fe_2O_3 thin films, however, films deposited using methanolic solution consists of hematite and maghemite-c phases of iron oxide. The films are nanocrystalline with particle size of 30-40 nm. The optical absorbance of the film was of the order of 10"5 cm"-"1. The optical band gap of films was found to be 2.26 and 2.20 eV for the ...
The pitting resistance of Fe-Cr and Fe-Cr-Mo alloys has been correlated with characteristics of the passive films analyzed by Auger electron spectroscopy (AES). Increased film protectiveness as a result of increased Cr in the alloy can be directly attributed to Cr enrichment of the film and decreased film thickness. Increased Mo in the alloy or passivation at noble potentials promotes passive film resistance to breakdown, but neither does much to change the macrocharacteristics of the film. Rather, it is suggested that the roles of alloying and/or passivation conditions are related to the susceptibility and distribution of weak points of the film. In solutions in which pitting occurs, chloride is generally not incorporated into the film, suggesting that the role of halides is to interact with weak points of the film at the solution/film interface. At 260/sup 0/C, the films are much thicker and likely to be much more defective in ...
A high pressure piezometer is described with which pVT-measurements on solutions of gases in liquids like oils can be performed at pressures and temperatures up to 2000 bar and 440 K, respectively. The present investigations deal mainly with the system squalaneCO/sub 2/ at different mole fractions, but also with squalaneN/sub 2/. The high accuracy of the measurements reveals a pronounced structure of the pV-curves in dependence on temperature and mole fraction. At larger mole fractions is the unequivocal assignment of the phases ambiguous, and the representation of the experimental data in terms of an equation of state not possible for the whole pressure and temperature range. However, for solutions with lower mole fractions could be determined the saturation pressures and the isothermal compressibility in the unsaturated region. Furthermore, the molar excess volumes of the mixture have been calculated and the phase ...
Some of the results of property measurements of CeO{sub 2} and its solid solutions were reviewed. The deviation from stoichiometry of undoped and doped CeO{sub 2} was presented in several figures, which suggested that CeO{sub 2} fired at high temperatures in air might be nonstoichiometric in some degree. At low temperatures, the deviation from stoichiometry in doped CeO{sub 2} is higher than undoped CeO{sub 2}. As another interesting property, CeO{sub 2} shows high solubility to trivalent cations such as rare earth elements. A possible reason behind this high solubility was presented. The nonstoichiometric defect in undoped CeO{sub 2} and the trivalent cation in solid solution with CeO{sub 2} have to be compensated by other defects. The possible defect structures in this solid solution were reviewed and the most probable structure was chosen based on density measurement and impurity ...
Anionic complexes of transition metals were stabilized in aqueous solutions containing high concentrations of various short-chain quaternary ammonium salts. Compounds with longer paraffin chains were effective in much less concentrated solution. Complex ions were detected spectrophotometrically. FeCl/sub 4//sup -/, which is usually formed in concentrated HCl, was the predominant Fe(III) complex in 30 m choline chloride containing only 0.12 M HCl. A yellow transitory Tc(VII) chloro-addition intermediate, formed in the reduction of TcO/sub 4//sup -/ by concentrated HCl, was stabilized when the solution also contained 25 m choline chloride. Its spectrum, as well as the isolation of an already known Tc(VII) bipyridyl complex, is reported. Concentrated organic electrolytes also stabilized Tc(V) oxide halides against disproportionation and Tc(IV) hexahalides against hydrolysis. Halochromates of Cr(VI) were formed and stabilized ...
In this work we examine a five-dimensional brane-world model with brane structure driven by a real scalar field. From the deformation of a kink-like defect we find a new class of brane solutions containing internal structures which have implications for the way the background space-time is constructed and the way its curvature behaves. Initially, for spin 0 scalar field, we find a zero mode which can be localized on the deformed brane. However, this result can change by the gravitational interaction with the brane internal structure. Analyzing the massive modes of the scalar field, using two different methods, we find resonance structures similar to those found in the study of gravity localization. The main objective here is to observe the contributions of the deformation procedure to the resonances and to the well known field localization methods.
We have studied the features of formation and the possible stationary structures of a self-consistent magnetic field in a relativistic collisionless plasma, which are characteristic of a simple geometry of the Weibel instability that is well known in the nonrelativistic case. The universal condition is established, the growth rate is determined, and the criteria of saturation of the Weibel instability are analyzed for a broad class of anisotropic particle distribution functions (for definiteness, in application to an electron-positron plasma). A nonlinear equation of the Grad-Shafranov type describing the potential current structures is derived and its solutions are analytically studied. Special attention is paid to spatially harmonic, nonlinear current configurations with parameters determined by the properties of the initial homogeneous plasma subject to the Weibel instability. It is demonstrated that the magnetic field ...
After irradiation at 254nm of aqueous solutions of the antipsychotic drug flupentixol, the structures of the photodegradation products were determined by ultra high performance liquid-chromatography linked to mass spectrometry. Fragmentation patterns of the parent ions were established on a hybrid linear ion trap-orbitrap mass spectrometer allowing accurate mass measurements of both parent and daughter ions. This allowed to propose plausible structures for the main photolysis products of flupentixol. A total of nine photoproducts were detected after irradiation of the drug. The main photoproduct is generated following the addition of a hydroxyl group on the double bond adjacent to the thioxanthene ring. Secondary photoproducts were also observed.
Passive films formed on Alloy 690 in different pH solutions at high temperatures were studied by potentiodynamic polarization, Auger electron spectroscopy, thermodynamic diagrams and the Mott-Schottky relation. The chemical compositions and electronic structures of the passive films were found to be strongly pH-dependent. In alkaline solutions, a secondary passivation was clearly observed on potentiodynamic polarization curves. The passive films were a mixture of Cr{sub 2}O{sub 3} and FeCr{sub 2}O{sub 4} below the flat band potential of nickel oxide and were NiFe{sub 2}O{sub 4} above this potential. Electronic structure models, describing the electrochemical properties of the passive films, are proposed and discussed.
Passive films formed on Alloy 690 in different pH solutions at high temperatures were studied by potentiodynamic polarization, Auger electron spectroscopy, thermodynamic diagrams and the Mott-Schottky relation. The chemical compositions and electronic structures of the passive films were found to be strongly pH-dependent. In alkaline solutions, a secondary passivation was clearly observed on potentiodynamic polarization curves. The passive films were a mixture of Cr2O3 and FeCr2O4 below the flat band potential of nickel oxide and were NiFe2O4 above this potential. Electronic structure models, describing the electrochemical properties of the passive films, are proposed and discussed.
Experimental data on A-15 binary phases (the lattice parameter dependence on composition, phase diagrams, etc.) have been considered and the so-called ''compounds with A-15 structure'' are shown to be solid solutions of element substitution in the structure of A-15 type. Values of lattice parameter and atomic volume of A-15 modifications for 21 elements have been obtained (for Zr, W, Nb, Mo, V in particular). There has been shown the possibility of calculation of atomic volumes and lattice parameters of A-15 binary phases at the lack of direct experimental data. The essential role of atomic volume relations of different phases has been observed for the estimation of stability conditions of A-15 phase.
Experimental data on A-15 binary phases (the lattice parameter dependence on composition, phase diagrams, etc.) have been considered and the so-called ''compounds with A-15 structure'' are shown to be solid solutions of element substitution in the structure of A-15 type. Values of lattice parameter and atomic volume of A-15 modifications for 21 elements have been obtained (for Zr, W, Nb, Mo, V in particular). There has been shown the possibility of calculation of atomic volumes and lattice parameters of A-15 binary phases at the lack of direct experimental data. The essential role of atomic volume relations of different phases has been observed for the estimation of stability conditions of A-15 phase.
Neutron powder diffraction and magnetometric studies of the HoRh_2_-_xPd_xSi_2 series of solid solutions (x=0, 0.5, 0.75, 1.0, 1.5, 1.8) are reported. The intermetallics investigated crystallize in the body-centred-tetragonal ThCr_2Si_2-type structure (space group I4/mmm). All the samples order antiferromagnetically at low temperatures. For low values of the dilution parameter x a simple collinear antiferromagnetic structure of the AFI type is stable. Below T_N the magnetic moments are parallel to the c-axis and then, below T_t, deflect forming an angle #psi# with the c-axis. Further replacement of Rh by Pd results in the development of a sine-wave-modulated magnetic structure with one two-component propagation vector and magnetic moments in the basal plane. For x=1.8 a sine-wave-modulated structure similar to that reported for HoPd_2Si_2 (i.e. with a two-component propagation ...
Aqueous solutions of 2-amino-2-hydroxymethyl-1,3-propanediol (AHPD), a sterically hindered amine, was examined as a potential CO{sub 2} absorbent and compared with the most commonly used absorbent, monoethanolamine (MEA) solution, through equilibrium solubility measurements and {sup 13}C NMR spectroscopic analyses. The solubilities of CO{sub 2} in aqueous 10 mass % AHPD solutions were higher than those in aqueous 10 mass% MEA solutions above 4 kPa at 298.15 K, but lower below 4 kPa. The solubility difference between these two solutions increased with the CO{sub 2} partial pressures above the crossover pressure. Equilibrated CO{sub 2}-MEA-H{sub 2}O and CO{sub 2}-AHPD-H{sub 2} solutions at various CO{sub 2} partial pressures ranging from 0.01 to 3000 kPa were analyzed by {sup 13}C NMR spectroscopy. AHPD contains more hydroxyl groups than nonhindered MEA, and hence ...
This report provides a summary of theoretical and experimental studies of actinide spectra in condensed phases. Much of the work was accomplished at Argonne National Laboratory, but references to related investigations by others are included. Spectroscopic studies of the trivlent actinides are emphasized, as is the use of energy level parameters, evaluated from experimental data, to investigate systematic trends in electronic structure and other properties. Some reference is made to correlations with atomic spectra, as well as with spectra of the (II), (IV), and higher valence states. 207 refs., 39 figs., 38 tabs.
In source coding, either with or without side information at the decoder, the ultimate performance can be achieved by means of random binning. Structured binning into cosets of performing channel codes has been successfully employed in practical applications. In this letter it is formally shown that various convolutional- and turbo-syndrome decoding algorithms proposed in literature lead in fact to the same estimate. An equivalent implementation is also delineated by directly tackling syndrome decoding as a maximum a posteriori probability problem and solving it by means of iterative message-passing. This solution takes advantage of the exact same structures and algorithms used by the conventional channel decoder for the code according to which the syndrome is formed.
Synaptobrevin is a synaptic vesicle protein that has an essential role in exocytosis and forms the SNARE complex with syntaxin and SNAP-25. We have analyzed the structure of isolated synaptobrevin and its binary interaction with syntaxin using NMR spectroscopy. Our results demonstrate that isolated synaptobrevin is largely unfolded in solution. The entire SNARE motif of synaptobrevin is capable of interacting with the isolated C-terminal SNARE motif of syntaxin but only a few residues bind to the full-length cytoplasmic region of syntaxin. This result suggests an interaction between the N- and C-terminal regions of syntaxin that competes with core complex assembly.
We discuss the algebraic structure of the generator coordinate method for triaxial quadrupole collective motion. The collective solutions are classified according to the representations of the permutation group of the intrinsic axes. Our method amounts to an approximate angular-momentum projection. We apply it to a study of the spherical-to-deformed-shape transition in light even strontium isotopes {sup 78-88}Sr. We find that triaxial configurations play a significant role in explaining the structure of the transitional isotopes {sup 80-82}Sr. (orig.).
This paper considers location?allocation problem in the real uncertain world and develops a possibilistic non-linear programming model to deal with this problem. Fuzzy decision making in fuzzy environment concept is used to determine possibility distribution of location and allocation variables. To solve this model, a novel approach based on genetic algorithm structure is developed. As the proposed model includes both deterministic (location) and uncertain (allocation) parameters, the developed solution algorithm uses a hybrid chromosome structure. Also, to cover continuous nature of the problem and prevent GA from early convergence, a new crossover operator is introduced. Finally, performance of the developed algorithm is evaluated by an example.
Methods of preparation, stability in solutions and in the solid phase, composition of orthophosphate crystallohydrates and condensed uranyl- and uranium (4) phosphates, are considered. Structures of these compounds are discussed; it is shown that they are steric polymers with an uranylphosphate framework. The problem of phosphate-anion polymerization in the process of thermal decomposition is discussed. It is established that condensed uranyl polyphosphates are not stable during storage, capable of degradation, its degree increasing with the phosphate chain length and uranium content.
We have studied the self-association reactions of purified GDP-liganded tubulin into double rings and taxoid-induced microtubules, employing synchrotron time-resolved x-ray solution scattering. The...Full Text Available
Azobenzene dyes are effective inhibitors for austenitic 304 L and 316 L stainless steel corrosion in high acidic medium up to 7N. A good efficiency is obtained from weight loss and electrochemical Rsub(p) measurements in hydrochloric acid, while no inhibition is observed in sulfuric solutions. Transformation from the primarily azobenzene to other compounds give rise to enhanced protection of steel samples, and probable structures of the inhibiting species are proposed in view of our results.
Azobenzene dyes are effective inhibitors for austenitic 304 L and 316 L stainless steel corrosion in high acidic medium up to 7N. A good efficiency is obtained from weight loss and electrochemical Rsub(p) measurements in hydrochloric acid, while no inhibition is observed in sulfuric solutions. Transformation from the primarily azobenzene to other compounds give rise to enhanced protection of steel samples, and probable structures of the inhibiting species are proposed in view of our results.
2D MEDICI simulator is used to investigate hardening solutions to single-event burnout (SEB). SEB parametric dependencies such as carrier lifetime reduction, base enlargement, and emitter doping decrease have been verified and a p"+ plug modification approach for SEB hardening of power MOSFETs is validated with simulations on actual device structures.
The effects of the structure of a carboxylic acid on the processes of oxidation and reduction of iron ions in irradiated aqueous solutions were directly observed during irradiation. The solutions contained the mono- or dicarboxylic acid, H/sub 2/SO/sub 4/, Fe(NH/sub 4/)/sub 2/(SO/sub 4/)/sub 2/ and O/sub 2/. Th e ferrous oxidation was rather independent of the acid and its concentration, but the reduction of ferric was possible in the presence of formic, oxalic, or valeric acid only. The radical formed from the valeric acid acts similar to those formed from hydrocarbons. The G-values of oxidation and reduction of the iron ions were established. The molar extinction coefficients for oxalic and malonic complexes of ferric ions were determined. (auth)
Although B-spline techniques have been used to solve two-point boundary value problems with Dirac Hamiltonians for more than 20 years, the treatment of boundary conditions is still a matter of controversy. Spurious, non-physical, solutions are endemic when boundary conditions are not handled correctly. These pathological problems are absent when traditional finite difference methods are used as in computer packages such as GRASP. Accurate approximation using both finite differences and B-splines depends on controlling local approximation errors, and this common property suggests no a priori reason to suppose that B-spline algorithms should be more prone to generate spurious solutions. The relativistic Bloch operators of [24], when added to the Dirac differential operator, permit the construction of a self-adjoint differential operator for the two-point boundary value problem on a finite interval. Approximate solution of ...
We solve the loop equations of the $\\beta$-ensemble model analogously to the solution found for the Hermitian matrices $\\beta=1$. For \\beta=1$, the solution was expressed using the algebraic spectral curve of equation $y^2=U(x)$. For arbitrary $\\beta$, the spectral curve converts into a Schr\\"odinger equation $((\\hbar\\partial)^2-U(x))\\psi(x)=0$ with $\\hbar\\propto (\\sqrt\\beta-1/\\sqrt\\beta)/N$. This paper is similar to the sister paper~I, in particular, all the main ingredients specific for the algebraic solution of the problem remain the same, but here we present the second approach to finding a solution of loop equations using sectorwise definition of resolvents. Being technically more involved, it allows defining consistently the B-cycle structure of the obtained quantum algebraic curve (a D-module of the form $y^2-U(x)$, where $[y,x]=\\hbar$) and to construct ...
This manuscript contains the lecture notes for a course taught from July 7th through July 11th at the 1997 Numerical Analysis Summer School sponsored by C.E.A., I.N.R.I.A., and E.D.F. The subject area was chosen to support the general theme of that year`s school which is ``Multiscale Methods and Wavelets in Numerical Simulation.`` The first topic covered in these notes is a description of the problem domain. This coverage is limited to classical PDEs with a heavier emphasis on hyperbolic systems and constrained hyperbolic systems. The next topic is difference schemes. These schemes are the foundation for the adaptive methods. After the background material is covered, attention is focused on a simple patched based adaptive algorithm and its associated data structures for square grids and hyperbolic conservation laws. Embellishments include curvilinear meshes, embedded boundary and overset meshes. Next, several strategies for parallel implementations are examined. ...
Classification and ranking of the solid solution on their reaction to the irradiation is suggested on the basis of binary system structure controlled by mixing enthalpy sign, melting temperatures relation of components and solidus curves slope. Several combinations of these characteristics permit to pick out three groups of substitutional elements capable of forming the vacancy-solute atom complexes either low-mobile or fast-mobile ones as compared to monovacancies migration. The radiation hardening (and embrittlement) of binary alloys should be intensified respectively either due to heterogeneous point defect clusters nucleation on solute traps or due to solute atom clusters/ precipitate formation. A local cohesion decrease may also occur especially if low-melting elements (characterized by low surface energy) are segregating on internal sinks or grain boundaries. The predicted ...
We investigate a new texturization technique for crystalline silicon solar cells with sodium carbonate (Na{sub 2}CO{sub 3}) solutions. We show the dependence of the hemispherical surface reflectance on solution temperature, the etching time and the Na{sub 2}CO{sub 3} concentration. Furthermore, we investigate what element in Na{sub 2}CO{sub 3} solution influences the texturing for reducing the texturing time. As a result of experiments, we find it possible to get low reflectance in a shorter texturing time by the addition of NaHCO{sub 3}. The size of texture becomes smaller by the addition of NaHCO{sub 3} but the etching rate does not change. We conclude carbonic ion and/or its compound seems to play an important role as the initiator of pyramidal structure. This texturing method is cost effective because there is no need of expensive IPA, and the surface reflectance is reduced sufficiently in a short ...
The mobility of oxidized astatine in solutions H(Na)ClO/sub 4/ (..mu..=0.4M)-1.10/sup -4/M K/sub 2/Cr/sub 2/O/sub 7/ has been measured at 25 degC in the interval 0.63<=pH<=1.68. Under these conditions astatine migrates to the cathode only. The speeds of the migration depends upon the concentration of hydrogen ions in solutions are: pH 1.68 Usub(c)=1.17.10/sup -4/ cm/sup 2/ V/sup -1/ s/sup -1/; pH 0.63 Usub(c)=2.67.10/sup -4/ cm/sup 2/ V/sup -1/ s/sup -1/. The effect agrees with the opinion that the singly charged cation of astatine formed in acidic solutions is a strong aquacomplex ((H/sub 2/O)sub(x)At)/sup +/ (x=1-2) (protonated hypoastatic acid). Deprotonation constant of this cation is Ksub(dp)=0.032+-0.005. Specific properties of the astatine cation are given. They can be explained, probably, through the peculiarities of its structure. 14 refs.
The mobility of oxidized astatine in solutions H(Na)ClO_4 (#mu#=0.4M)-1.10"-"4M K_2Cr_2O_7 has been measured at 25 degC in the interval 0.63<=pH<=1.68. Under these conditions astatine migrates to the cathode only. The speeds of the migration depends upon the concentration of hydrogen ions in solutions are: pH 1.68 Usub(c)=1.17.10"-"4 cm"2 V"-"1 s"-"1; pH 0.63 Usub(c)=2.67.10"-"4 cm"2 V"-"1 s"-"1. The effect agrees with the opinion that the singly charged cation of astatine formed in acidic solutions is a strong aquacomplex [(H_2O)sub(x)At]"+ (x=1-2) (protonated hypoastatic acid). Deprotonation constant of this cation is Ksub(dp)=0.032+-0.005. Specific properties of the astatine cation are given. They can be explained, probably, through the peculiarities of its structure. (author).
The potentiodynamic polarization measurement of 254SMO stainless steel (UNS 31254) was conducted in 3.5% NaCl solutions with pH ranging from 0.1 to 5. The results indicated that this stainless steel offered excellent pitting corrosion resistance in corrosive environments. Further, it also exhibited various features on the polarization curves in different pH solutions. The electrochemical constant-potential passivation treatment performed at different pH followed by XPS analysis revealed that the primary constituents of the outermost layer of the passive films formed in the weak (pH 5) and strong (pH 0.8) acid solutions are iron oxides and Cr{sub 2}O{sub 3} and Cr(OH){sub 3}, respectively. Molybdenum oxides, primarily in the six-valence state, existed in the outermost layer of the passive film. Only very weak signals corresponding to that of nickel oxides were detected in the film formed in the weak acid (pH 5) ...
The potentiodynamic polarization measurement of 254SMO stainless steel (UNS 31254) was conducted in 3.5% NaCl solutions with pH ranging from 0.1 to 5. The results indicated that this stainless steel offered excellent pitting corrosion resistance in corrosive environments. Further, it also exhibited various features on the polarization curves in different pH solutions. The electrochemical constant-potential passivation treatment performed at different pH followed by XPS analysis revealed that the primary constituents of the outermost layer of the passive films formed in the weak (pH 5) and strong (pH 0.8) acid solutions are iron oxides and Cr_2O_3 and Cr(OH)_3, respectively. Molybdenum oxides, primarily in the six-valence state, existed in the outermost layer of the passive film. Only very weak signals corresponding to that of nickel oxides were detected in the film formed in the weak acid (pH 5) ...
The passive films formed on 316L stainless steel in various NaCl solutions have been investigated by capacitance measurements (Mott-Schottky). Pitting parameters have been determined using the galvano-kinetic polarisation method. The obtained results reveal the existence of a shallow and a deep donor level localised in the band gap of the semiconducting oxide film. These energy levels are due to iron ions in the tetrahedral and octahedral positions. It also appears that the participation of the deep donor level effects the electric field. The study developed allows us to compare characteristic parameters of the electronic structure of the passive film to those related to pitting susceptibility. (authors) 25 refs.
The structural parameters of various Haegg phases (H or M_n_+_1AX_n phases) are studied experimentally by x-ray and electron spectroscopies, x-ray diffraction, and ab initio full potential as well as full mutiple scattering theoretical calculations. Experimentally it was found that the structure of all ternary compounds analyzed herein are relaxed. The values of the lattice parameters and relaxations obtained from ab initio calculations are in excellent agreement with those deduced from the analysis of the experimental data. The bonding scheme has been analyzed and the charge transfer between constituting atoms determined. It is demonstrated that the strength and electrical transport properties in these materials are principally governed by the metallic planes. For the solid solution (Ti_0_._5Nb_0_._5)_2AlC, the most salient result is that the basal planes are corrugated, which could explain the solid ...
The interaction between acidic fluoride solution and beta titanium alloy was investigated to explore the changes that occur in beta titanium alloy by fluoride-containing acetic acid solutions. For this, alloy crystal structure, tensile strength, and elements released from the alloy wires were determined using four solutions (0.05%/pH 6, 0.05%/pH 4, 0.2%/pH 6, and 0.2%/pH 4) for 1 or 3 days. The immersed wire did not form any identifiable new crystal structure compared with the as-received wire. The tensile strength of the immersed wires was significantly reduced compared to the as-received wires in the test solutions if the period of immersion increased from as-received to 3 days. The fractured area of the immersed wire was reduced compared to the as-received one. The dimple pattern at the inner part and a cup-cone morphology at the outer part of the fractured ...
Electrochemical performance and structural properties of the high-voltage cathode material Li{sub 2}CoPO{sub 4}F have been investigated. The cyclic voltammetry and coulometry under potential step mode in the voltage range 3.0-5.1 V vs. Li revealed a structural transformation at potentials above 4.8 V. This transformation occurring upon Li-extraction appears to be irreversible: the subsequent Li-insertion does not result in restoration of the initial structure, but takes place within a new ''modified'' framework. According to the structure refinement this modification involves the mutual rotations of (CoO{sub 4}F{sub 2}) octahedra and (PO{sub 4}) tetrahedra accompanied by the considerable unit cell expansion which is expected to enhance the Li-transport upon subsequent cycling. The new framework demonstrates a reversible Li-insertion/extraction in a ...
A tertiary structure of recombinant A22^G-B31^K-B32^R-human insulin monomer (insulin GKR) has been characterized by ^1H, ^1^3C NMR at natural isotopic abundance using NOESY, TOCSY, ^1H/^1^3C-GHSQC, and ^1H/^1^3C-GHSQC-TOCSY spectra. Translational diffusion studies indicate the monomer structure in water/acetonitrile (65/35vol.%). CSI analysis confirms existence of secondary structure motifs present in human insulin standard (HIS). Both techniques allow to establish that in this solvent recombinant insulin GKR exists as a monomer. Starting from structures calculated by the program CYANA, two different refinement protocols used molecular dynamics simulated annealing with the program AMBER; in vacuum (AMBER_VC), and including a generalized Born solvent model (AMBER_GB). From these calculation...
The mechanism of trypsin inactivation by intact Hymenolepis diminuta has been investigated by biochemical and autoradiographic methods. Although worms inactivate trypsin and chymotrypsin in vitro, no inactivation of other endoproteases (subtilisin, pepsin and papain) could be demonstrated. Trypsin inactivation, as demonstrated by macromolecular substrates (azoalbumin, hemoglobin and casein), could not be detected using low molecular weight synthetic substrates such as N-p-benzoyl-DL-arginine-p-nitroanilide (BAPA) or N-p-tosyl-L-arginine methyl ester (TAME). In addition, the kinetic parameters (K/sub m/ and k_3) for H. diminuta-inactivated trypsin, using BAPA as the substrate, were not different from those of the native enzyme. The number of active sites for both native and inactivated trypsin were determined by titration with p-nitro-phenyl-p'-guanidinobenzoate. Absorbance values for both titrations were found to be identical. Dialysis, heating to 50 C, or repeated ...
Macromolecular and polyanionic Na(+)-poly(gamma-glutamic acid) (PGA) silver nitrate complex acted as both a metal ion provider and a particle protector to fabricate nanosized silver colloids under chemical reduction by dextrose. The formation and size of particles have been characterized from transmission electron microscopy (TEM), dynamic light scattering analysis and UV-vis spectrophotometer. The results showed that the average particle size was 17.2+/-3.4 to 37.3+/-5.5 nm, apparently depending on the complex concentration. It was found that the rate constant and conversion of silver nanoparticles were proportional to the concentration of PGA. The growth mechanism of nanosized silver colloid was fully discussed. In addition, the in vitro cytotoxicity evaluated by L929 fibroblasts proliferation and antibacterial activity against Gram-positive strain (methicillin-resistant S. aureus (MRSA)) and Gram-negative strain (P. aeruginosa) bacteria have been assessed. ...
In the beam pipe of the positron damping ring of the Next Linear Collider, electrons will be created by beam interaction with the surrounding vacuum chamber wall and give rise to an electron cloud. Several solutions are possible for avoiding the electron cloud, without changing the bunch structure or the diameter of the vacuum chamber. Some of the currently available solutions for preventing this spurious electron load include reducing residual gas ionization by the beam, minimizing beam photon-induced electron production, and lowering the secondary electron yield (SEY) of the chamber wall. We will report on recent SEY measurements performed at SLAC on TiN coatings and TiZrV non-evaporable getter thin films.
Consideration is given to the process of the formation of a titanium sponge alloyed with niobium or tantalum, in the joint metallic reduction of titanium, niobium and tantanum chlorides. A percentage composition of the phases observed and the structure of the alloyed sponge have been studied. It is shown that after one remelting operation of the alloyed sponge the alloys of titanium with niobium and tantalum have a uniform component distribution. At the stage of chloride reduction there appear solid solutions based on titanium and an alloying component. The stage of vacuum separation of the reaction mass is associated with a mutual dissolution of the primary phases and the formation of the solid solutions of the alloyed titanium sponge, which, by their composition, are close to the desired alloy composition. The principal features of the formation of a titanium sponge alloyed with niobium and tantalum are in a perfect ...
Abstract A series of polypropylene carbonate (PPC)/ZnO nanocomposite films with different ZnO contents were prepared via a solution blending method. The morphological structures, thermal properties, oxygen permeability, water sorption, and antibacterial properties of the films were investigated as a function of ZnO concentration. While all of the composite films with less than 5 wt % ZnO exhibited good dispersion of ZnO in the PPC matrix, FTIR and SEM results revealed that solution blending did not lead to a strong interaction between PPC and unmodified ZnO. As such, poor dispersion was induced in the composite films with a high ZnO content. By incorporating inorganic ZnO filler nanoparticles, the diffusion coefficient, water uptake in equilibrium, and oxygen permeability decreased as the ...
Dopant-free Bi2Ti2O7 thin films with pyrochlore structure and La-doped bismuth titanate thin films have been fabricated by means of chemical solution decomposition, and characterized by X-ray diffraction, atomic force microscopy, scanning electron microscopy and UV?Vis spectrophotometry in this study. Their photocatalytic activities have been evaluated by photodegrading methyl orange solution, and the optimum processing parameters for the highest photocatalytic activity have been found. Moreover, the effects of La-doping on the phase transformation and the photocalalytic activity have been studied. It has been deduced from the experiment result that substituted La3+ ions can act as a stabilizer of Aurivillus phase BLT and a grain?growth inhibitor in BLT thin films.
Abstract Phase-separation dynamics are investigated by SALS in aqueous MC solutions in the presence of 5% NaCl, promoted by a quench temperature. The observed scattering peak indicates that the phase separation occurs by the SD mechanism, leading to a bicontinuous structure. A semilog plot of I(q) against time in the early stage of SD gives a straight line, but the position of qmax varies; also, a Cahn-Hilliard plot indicates that diffusive processes dominate and the data can be described by linear CHC theory. Dapp shows a kinetic dependency on the quench temperature. The spinodal temperature of the sample is 41-C. In the late stages, S(q,t) collapses into a universally time-independent curve.
Results of strain controlled fatigue and tensile tests are presented for two nickel base solution hardened alloys which are reference structural alloys for use in several high temperature gas cooled reactor concepts. These alloys, Hastelloy X Inconel 617, were tested at temperatures ranging from room temperature to 871/sup 0/C in air and impure helium. Materials were tested in the solution annealed as well as in the pre-aged condition where aging consisted of isothermal exposure at one of several temperatures for periods of up to 20,000 h. Comparisons are also given between the strain controlled fatigue lives of these alloys and several other commonly used alloys all tested at 538/sup 0/C.
Investigates polarographically determined capacitative curves of Soviet anthracite (Removsk seam) in solutions of KCl, HCl, phenol, propyl, butyl, amyl and hexyl alcohols. The curves were found to be asymmetric and to raise quickly in their cathode range. Their dependence on electrolyte concentration and displacements of their zero charge points were observed. Displacement values of zero charge potential were tabulated for organic compounds. It was possible to calculate displacements taking the non-uniformity of coal structure into account. It was further possible to assess surface interactions between coal and adsorbed molecules from the viewpoint of molecular energy. Orientation of phenol and alcohol molecules on the coal surface is also pointed out. 10 refs.
Experimental investigations have been performed to study solutal convection around an air bubble squeezed between the walls of a horizontal rectangular channel, filled by an aqueous solution of surfactant with vertically stratified concentration. A convective motion in the fluid develops due to the solutocapillary Marangoni forces at the bubble lateral free surface. The structure and evolution of the convective flow and the surfactant concentration fields in the channel have been investigated using interferometric technique. The tests revealed the development of self-oscillatory modes near the bubble surface, related to the interaction between solutocapillary and solutogravitational motion mechanisms. The time dependences of the oscillations period are analyzed in relation to the average c...
The article deals with a novel electrochemical method of preparing long-lived silver nanoparticles suspended in aqueous solution as well as silver powders. The method does not involve the use of any chemical stabilising agents. The morphology of the silver nanoparticles obtained was studied using transmission electron microscopy, scanning electron microscopy, atomic force microscopy and dynamic light scattering measurements. Silver nanoparticles suspended in water solution that were produced by the present technique are nearly spherical and their size distribution lies in the range of 2 to 20 nm, the average size being about 7 nm. Silver nanoparticles synthesised by the proposed method were sufficiently stable for more than 7 years even under ambient conditions. Silver crystal growth on the surface of the cathode in the electrochemical process used was shown to result in micron-sized structures consisting of agglomerated ...
The effect of the composition of multicomponent Zr-Ti-V-Mn-Cr-Ni alloys on their hydrogen-storage capacity and on the rate of electrosorption/desorption hydrogen was investigated under potentiodynamics as well as single-pulse and long-term galvanostatic conditions. The main characteristics of alloys and alloy electrodes were determined by their structural analysis by means of X-ray diffraction and scanning electron microscope, by specific surface area test and by determination of the hydrogen absorption/desorption isotherms in the gas/solid phase system. It was found that only the alloys with a manganese content below a threshold could be used as electrode materials for Ni-MH batteries, whereas the modification of the electrode material by micro-encapsulation of alloy particles should limit the dissolution of manganese from the electrode material in a strong alkaline solution. (orig.)
There are reported the results of corrosion resistance investigation of aluminium bronzes, containing about 8 and 10% of aluminium and modifying quantities of zirconium. The tests of corrosion resistance were carried out in synthetic seawater, in 3% NaCl aqueous solution and in 10% H_2SO_4 aqueous solution, with reference to industrial bronze BA93 (CuAl9Fe3). The bronzes were tested in an annealed, hardened, tempered state and after plastic hot working. The conclusion is that corrosion resistance of aluminium bronzes, especially against selective corrosion, depends more on material structure, resulted form heat treatment, than on chemical composition. (author). 6 refs, 8 figs, 6 tabs.
Oxidative degradation of methylene blue (MB) by Co^2^+-HCO3^- system with H2O2 in aqueous solution was studied. Nearly complete decolorization of the dye was obtained in less than 50min in diluted NaHCO3 solution (25mM) in the presence of only 20mM Co^2^+ ions. Meanwhile, the conjugated structure and phenyl rings of the MB molecule were destroyed or even broken down into small organic acids and inorganic ions, as indicated by FT-IR spectra and ion-chromatography. Photoluminescence probing and radical scavenging technologies suggested that the reaction of MB degradation in this system mainly involved the generation and participation of hydroxyl radicals. Furthermore, by cyclovoltammetric measurements, the in situ formed different complexes between Co^2^+ and HCO3^- were observed at differen...
Precipitation-hardened single crystals of a beta (bcc) Ti--40 at. percent V--1.0 at. percent Si alloy were deformed in compression at 77 and 298"0K. The dependence of the yield stress upon aging time at 843"0K for solution-treated crystals shows two maxima which are caused by silicide precipitates. The orientation dependence of the yield stress and of the active macroscopic slip plane were determined as a function of aging time. The solution-treated as well as aged crystals exhibit an asymmetry of both the yield stress and the plane of slip, the degree of asymmetry being larger at 77 than at 298"0K. The asymmetry of slip and yielding is not affected by the presence of precipitation hardening. Results indicate that the effect of the dislocation core structure on dislocation motion is independent of the presence of precipitates. (auth).
The heterogeneous processing of atmospheric aerosols by reaction with nitrogen oxides results in the formation of particulate and adsorbed nitrates. The water content of these hygroscopic nitrate aerosols and consequently the nitrate ion concentration depend on relative humidity, which can impact the physicochemical properties of these aerosols. This report focuses on the 310 nm photolysis of aqueous sodium and calcium nitrate solutions at pH 4 over a wide concentration range of nitrate ion concentrations representative of atmospheric aerosols. In particular, the quantum yield (phi) of nitrite formation was measured and found to significantly decrease at high concentrations of nitrate for Ca(NO(3))(2). In particular, phi for Ca(NO(3))(2) was found to have a maximum value of (7.8 +/- 0.1) x 10(-3) for nitrate ion solution concentrations near one molal, with the smallest quantum yield for the highest concentration solution ...
The effect of temperature (60-280{sup o}C) on the properties of the oxide films formed on Alloy 800 in 0.1 M NaCl and 0.1 M Na{sub 2}SO{sub 4} aqueous solutions was studied by in situ AC impedance spectroscopy and polarization in the Fe(CN{sub 6}){sup -3}/Fe(CN){sub 6}{sup -4} redox system. The anodic behavior under the same experimental conditions was examined by potentiodynamic polarization techniques. In both solutions the passive film was found to become more porous, and hence less protective, with increasing temperature. However, at temperatures above 150{sup o}C, the loss of film protectiveness is more pronounced in chloride solutions, in which pitting occurs. Pitting morphology was found to be strongly temperature dependent: isolated and deep pits were found up to 200{sup o}C whereas at higher temperatures a broad, shallow and more generalized type of attack was detected. No effect of temperature on the defect ...
Molybdenum oxide nanostructures were synthesized utilizing the solution combustion method where the ammonium molybdate powder and an organic additive were used as precursors. Different organic additives including ethylene diamine tetra-acetic acid (EDTA), polyethylene glycol 200 (PEG 200), sorbitol and urea were used as surfactants in order to investigate the effect of additive structure on morphology and particle size of products. Also various reaction parameters such as the additive/Mo molar ratio, concentration of metal ion in solution, pH of the reaction, and temperature of the synthesis media were changed to study effects on product morphology and size. Outcomes were characterized by Scanning Electron Microscopy (SEM), X-ray diffraction, and Transmission Electron Microscopy (TEM) techniques. Results show a variety of MoO_3 nanoparticles and nanorods produced within the size range of 10-80 nm. Furthermore, microrods and ...
The efficiency of the synthesized zeolite NaY from rice husk ash (RHA) in the removal of Cr(III) from aqueous solution was studied. Zeolite NaY was synthesized from RHA via seeding technique and the identification of its structure was done by X-ray Diffraction (XRD) technique and the elemental analysis was carried out by X-ray Fluorescence (XRF). The physicochemical properties which were related to the use of the zeolite NaY as a sorbent was also investigated. The synthesized zeolite NaY has higher cation exchange capacity (CEC) than the commercial zeolite NaY due to the higher amount of sodium content in the synthesized as well as the lower ratio of silica to alumina. The synthesized zeolite NaY together with the commercial one as comparison was used in the sorption of the Cr(III) in aqueous solution by batch sorption experiments. The kinetic study showed that the Cr(III) uptake by both zeolites were based on the pseudo ...
This dissertation concerns a study of the utilization of sorghum biomass as the fuel for a methane production system. The objective of this research is to determine an optimal sorghum-methane production system based on anaerobic batch digestion technology. The system is described as the interaction of three components: estimation of available biomass, storage of biomass, and the gas production. Levelized costs are obtained for each component. The biomass supply is assumed to decay exponentially in quality with storage time. The gas production process is a batch type of digestion with an exponential production rate. Gas production is formulated for a fixed planning horizon (one year) as a function of the number of batches and the batch residence times. The cost equation is then described as a function of these gas production equations and their levelized costs. The structure of this resulting equation is exploited to obtain the minimum unit gas cost. This analysis ...
This is the final report of a two-year, Laboratory Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). This project has examined the fundamental chemistry of plutonium that affects the integration of hydrothermal technology into nuclear materials processing operations. Chemical reactions in high temperature water allow new avenues for waste treatment and radionuclide separation.Successful implementation of hydrothermal technology offers the potential to effective treat many types of radioactive waste, reduce the storage hazards and disposal costs, and minimize the generation of secondary waste streams. The focus has been on the chemistry of plutonium(VI) in solution with carbonate since these are expected to be important species in the effluent from hydrothermal oxidation of Pu-containing organic wastes. The authors investigated the structure, solubility, and stability of the key plutonium complexes. ...
We show the existence of global-in-time weak solutions to a general class of coupled FENE-type bead-spring chain models that arise from the kinetic theory of dilute solutions of polymeric liquids with noninteracting polymer chains. The class of models involves the unsteady incompressible Navier-Stokes equations in a bounded domain in two or three space dimensions for the velocity and the pressure of the fluid, with an elastic extra-stress tensor appearing on the right-hand side in the momentum equation. The extra-stress tensor stems from the random movement of the polymer chains and is defined by the Kramers expression through the associated probability density function that satisfies a Fokker-Planck-type parabolic equation, a crucial feature of which is the presence of a center-of-mass diffusion term. We require no structural assumptions on the drag term in the Fokker-Planck equation; in particular, the drag term need not ...
With an increased use of fiber reinforced concrete in structural applications, proper characterization techniques and development of design guides are needed. This dissertation presents a multi-scale modeling approach for fiber and fabric reinforced cement-based composites. A micromechanics-based model of the yarn pullout mechanism due to the failure of the interfacial zone is presented. The effect of mechanical anchorage of transverse yarns is simulated using nonlinear spring elements. The yarn pullout mechanism was used in a meso-scale modeling approach to simulate the yarn bridging force in the crack evolution process. The tensile stress-strain response of a tension specimen that experiences distributed cracking can be simulated using a generalized finite difference approach. The stiffness degradation, tension stiffening, crack spacing evolution, and crack width characteristics of cement composites can be derived using matrix, interface and fiber properties. The ...
In this study, WO{sub 3} thin films were grown on glass substrates using an aqueous solution containing tungstate (NH{sub 4}){sub 2}WO{sub 4} as precursor. The substrate temperature incremented from 250 to 500 deg. C, by steps of 50 deg. C. The structural properties were investigated using XRD, atomic force microscopy and scanning electronic microscopy techniques. Microprobe analyses showed that a balanced stoichiometric composition was obtained for thin films prepared at T{sub s} = 350 and 400 deg. C. The X-ray diffraction analyses showed different structure crystallography in function of the substrate temperature. Moreover, films deposited at 400 deg. C were annealed in air for 2 h at 450 and 500 deg. C, respectively and the structural changes due to heat treatment were studied. Finally, the optical properties of these films were carried out using optical measurements of transmittance T({lambda}) and ...
In this study, WO3 thin films were grown on glass substrates using an aqueous solution containing tungstate (NH4)2WO4 as precursor. The substrate temperature incremented from 250 to 500 deg. C, by steps of 50 deg. C. The structural properties were investigated using XRD, atomic force microscopy and scanning electronic microscopy techniques. Microprobe analyses showed that a balanced stoichiometric composition was obtained for thin films prepared at Ts = 350 and 400 deg. C. The X-ray diffraction analyses showed different structure crystallography in function of the substrate temperature. Moreover, films deposited at 400 deg. C were annealed in air for 2 h at 450 and 500 deg. C, respectively and the structural changes due to heat treatment were studied. Finally, the optical properties of these films were carried out using optical measurements of transmittance T(?) and reflectance R(?) spectra in 300-1800 ...
Photoluminescence properties and local electronic structures of rare earth (Eu^3^+ and Ce^3^+) activated Sr3AlO4F have been studied. X-ray powder diffraction data indicated that the activator ions of Eu^3^+ and Ce^3^+ can be incorporated into the Sr3AlO4F lattice and formed limited solid solutions of Sr3-2xLnxNaxAlO4F (Ln=Eu, Ce) with Na^+ as a charge compensator ion. The local structure around Sr sites was initially explored using Eu-activated Sr3AlO4F as a structural probe. Sr3AlO4F:Eu^3^+ exhibits orange-red emission ranging from 520 to 740nm with a maximum peak at about 619nm mainly originating from the ^5D0->^7FJ (J=0, 1, 2, 3, 4) transitions, indicating that Eu exists mainly in the trivalent state due to a strong oxidative lattice in Sr3AlO4F. Sr3AlO4F:Ce^3^+ shows an unusual long-wa...
The crystal structure of outer surface protein A (OspA) from Borrelia burgdorferi contains a single-layer #beta#-sheet connecting the N- and C-terminal globular domains. The central #beta#-sheet consists largely of polar amino acids and it is solvent-exposed on both faces, which so far appears to be unique among known protein structures. We have accomplished nearly complete backbone H, C and N and C";/H"#beta# assignments of OspA (28 kDa) using standard triple resonance techniques without perdeuteration. This was made possible by recording spectra at a high temperature (45 "oC ). The chemical shift index and "1"5N T_1/T_2 ratios show that both the secondary structure and the global conformation of OspA in solution are similar to the crystal structure, suggesting that the unique central #beta#-sheet is fairly rigid.
This paper presents the first results on formation and study of structure and properties of micro- and nanocomposite combined coatings. By means of modeling the deposition processes (deposition conditions, current density-discharge, plasma composition and density, voltage) we formed the three-layer nanocomposite coatings of Ti-Al-N/Ti-N/Al_2O_3. The coating composition, structure and properties were studied using physical and nuclear-physical methods. The Rutherford proton and helium ion backscattering, scanning electron microscopy with microanalysis, grazing incidence X-ray diffraction, as well as nanohardness tests (hardness) were used. Measurements of wear resistance and corrosion resistance in NaCl, HCl and H_2SO_4 solutions were also performed. For testing mechanical properties such characteristics of layered structures as hardness H, elastic modulus E: H"3/E"2 etc. were measured. It is ...
For rational use of energy resources, the process technology which allows harmonization and multiplication of conflicting characteristics was developed for development of new ceramic system materials. This paper summarizes the result in fiscal 1997. On a structural reaction process among creation technologies of ultra-reliable structure, study was made on structure control and hot-working technology through atmosphere control in ceramics synthesis. On basic technology for analysis and evaluation, study was made on the effect of particle bridging on strengthening and toughening of ceramic materials. Study was also made on a toughness expression mechanism, FEM model analysis of particle bridging, and crack growth resistance of ceramics. On control of solid solution precipitation, new alumina ceramics with high strength, hardness and wear resistance was obtained by transgranularly precipitating nano-size ...
Crystallography and computer modeling have been used to exploit a previously unexplored channel in the glucocorticoid receptor (GR). Highly potent, nonsteroidal indazole amides showing excellent complementarity to the channel were designed with the assistance of the computational technique AlleGrow. The accuracy of the design process was demonstrated through crystallographic structural determination of the GR ligand-binding domain-agonist complex of the D-prolinamide derivative 11. The utility of the channel was further exemplified through the design of a potent phenylindazole in which structural motifs, seen to interact with the traditional GR ligand pocket, were abandoned and replaced by interactions within the new channel. Occupation of the channel was confirmed with a second GR crystal structure of this truncated D-alaninamide derivative 13. Compound 11 displays properties compatible with development as an intranasal ...
Nanocrystalline samples of Fe_8_0Mo_2_0 and Fe_5_0Mo_5_0 alloys were prepared by the mechanical milling method. The structure, lattice parameters, and crystallite size were determined by the X-ray diffraction. The magnetic properties of the milled products were determined by the Moessbauer spectroscopy. It was observed that in the case of the Fe_8_0Mo_2_0 alloy a solid solution of Mo in Fe was formed with the lattice parameters of the Fe increasing from 0.28659 nm to 0.29240 nm and the crystallite size decreasing from 250 nm to 20 nm. In the case of the Fe_5_0Mo_5_0 alloy there were no clear changes in values of the lattice parameters of Fe and Mo during the milling process, but the crystallite size decreased from 200 to 15 nm. Moessbauer spectra revealed different magnetic phases in the machanosynthesized Fe_Mo samples. In the case of the Fe_8_0Mo_2_0 alloy, the spectrum for the milled mixture indicated the formation of solid ...
Tannin gel particles that have extremely high adsorption capacity for hexavalent chromium Cr(VI) have been developed by controlling gelation of Mimosa tannin extracted from the bark of plants. The gelation process is composed of two stages; partial gelation of Mimosa tannin by reaction with formaldehyde (cross-linking agent) and granulation by dispersing the partially gelated solution into a liquid mixture of decalin ad a polyether nonionic surfactant with vigorous stirring. The structure of the tannin gel particles is controlled by a combination of operating conditions such as reaction time and temperature at both stages. The water content of the tannin gel particles that reflects their structure can be widely changed from 40 to 79 %(wet basis), even for a constant composition of 23 g Mimosa tannin and 6 ml formaldehyde (37 wt %). It is found that it is very important to increase the water content without losing mechanical ...
We analyze the stability of the structure equations of the vacuum in the brane world models, by using both the linear (Lyapunov) stability analysis, and the Jacobi stability analysis, the Kosambi-Cartan-Chern theory. In the brane world models the four-dimensional effective Einstein equations acquire extra terms, called dark radiation and dark pressure, respectively, which arise from the embedding of the three-brane in the bulk. Generally, the spherically symmetric vacuum solutions of the brane gravitational field equations have properties quite distinct as compared to the standard black hole solutions of general relativity. We close the structure equations by assuming a simple linear equation of state for the dark pressure. In this case the vacuum is Jacobi stable only for a small range of values of the proportionality constant relating the dark pressure and the dark radiation. The unstable trajectories ...
It has been clarified by the present authors, based on the plasma nitriding of Fe-Cr alloys and Fe-Ti alloys carried out at the temperature under 550{degree}C hitherto, that an internal nitriding layer is formed due to the fine dispersion of the particles of Cr nitride and Ti nitride in {gamma}{prime} Fe4N layer on the specimen surface. In this study, the plasma nitriding of Fe-Cr alloys are carried out at 650{degree}C, and the effects of the solute (Cr) content on the structures, nitride and the thickness distribution are examined. The main results obtained therefrom are indicated hereafter. In accordance with the observation on the cross-sectional structure of the alloys, only the nitriding layer deduced as the dispersion and precipitation of the particles of Cr nitride from {alpha}-Fe of the mother phase is formed, while {gamma}{prime}-Fe4N layer, which is found at the temperature under 550{degree}C, is not formed. The ...
Fe-Cr-Mn stainless steel is one of the candidate materials for the 1`st wall materials and structural applications of fusion reactor as regards reduced radioactivation properties than Fe-Cr-Ni austenitic stainless steels. This report deals with the effects of annealing and aging heat treatment on the microstructure, mechanical properties and corrosion resistance of Fe-Cr-Mn alloys varying Mn and W contents, which were made using vacuum high frequency induction furnace. Increasing Mn contents, austenite phase was increased, and maximum .epsilon. martensite phase was formed at about 21% Mn. W-addition made small amount of ferrite phase in the matrix, and the ferrite contents were increased with raising annealing temperature. Increased Mn contents reduced tensile stress and yield stress but increased the elongation. W-addition raised the high temperature tensile properties. The variation of Mn contents had no influenced on corrosion resistance. However, W-addition ...
A general method for stable-isotope labeling of large proteins is introduced and applied for studies of the E. coli GroE chaperone proteins by solution NMR. In addition to enabling the residue-specific {sup 15}N-labeling of proteins on a highly deuterated background, it is also an efficient approach for uniform labeling. The method meets the requirements of high-level deuteration, minimal cross-labeling and high protein yield, which are crucial for NMR studies of structures with sizes above 150 kDa. The results obtained with the new protocol are compared to other strategies for protein labeling, and evaluated with regard to the influence of external factors on the resulting isotope labeling patterns. Applications with the GroE system show that these strategies are efficient tools for studies of structure, dynamics and intermolecular interactions in large supramolecular complexes, when combined with TROSY- and CRINEPT-based ...
Biosorption of elements is a little understood phenomenon exhibited by some types of even nonliving microbial biomass. A common fungus Rhizopus arrhizus has been reportd to take up uranium from adqueous solutions to the extent of 180 mg U/sup 6 +//g. The mechanism of uranium sequestering by this type of biomass was studied by using experimental techniques such as electron microscopy, x-ray energy dispersion analysis, IR spectroscopy, and supporting evidence was obtained for a biosorption mechanism consisting of at least three processes. Uranium coordination and adsorption in the cell-wall chitin structure occur simultaneously and rapidly whereas precipitation of uranylhdroxide within the chitin microcrystalline cell-wall structure takes place at a lower rate. Interference of Fe/sup 2/ and Zn/sup 2 +/ coions with uranium biosorption is indicated.
In this paper, multilayer oxide nanorods were deposited in the nanopores of anodic aluminum oxide (AAO) via solution infiltration followed by heat treatment. The nanorods have a core-shell structure. First, the shell (nanotube) with the thickness of about 40nm was made of TiO"2 through the hydrolysis of (NH"4)"2TiF"6. Second, silver nanoparticles with the diameter of about 3nm were added into the TiO"2 layer through thermal decomposition of AgNO"3 at elevated temperatures. Then, cylindrical cores (nanorods) of CoO and ZnO with 200nm diameter were prepared, respectively. Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) were used to characterize the structure and composition of the nanorods. UV-vis light absorption measurements in the wavelength range from 350 to...
Moss-Schottky plots and photoelectrochemical measurements were made on films formed at different potentials on AISI 304 stainless steel in a borate/boric acid solution, pH 9.2. The results allowed the determination of the semiconductive properties and band structure of the films, which account for the existence of two kinds of films depending on the formation potential. For potentials below 0 V (SCE), the results point out for a film with an inverse spinel structure constituted by Cr-substituted magnetite with two donor levels. Above 0 V only one donor level is detected, which should be Fe{sup 2 +} on tetrahedral sites.
Moss-Schottky plots and photoelectrochemical measurements were made on films formed at different potentials on AISI 304 stainless steel in a borate/boric acid solution, pH 9.2. The results allowed the determination of the semiconductive properties and band structure of the films, which account for the existence of two kinds of films depending on the formation potential. For potentials below 0 V (SCE), the results point out for a film with an inverse spinel structure constituted by Cr-substituted magnetite with two donor levels. Above 0 V only one donor level is detected, which should be Fe"2 "+ on tetrahedral sites.
To elucidate biosorption mechanism and removal efficiency of plant residues as a biosorbent to abate polycyclic aromatic hydrocarbons (PAHs) in wastewater, sorption of PAHs onto wood chips (WC), ryegrass roots (RR), orange peels (OP), bamboo leaves (BL), and pine needles (PN) were investigated. The structural characterization of the biosorbents was analyzed by elemental composition, BET-N2 surface area, and Fourier transform infrared spectroscopy. PAHs sorption to the selected biosorbents were compared and correlated with their structures. Biosorption isotherms fit well with Freundlich equation and the mechanism was dominated by partition process. The magnitude of phenanthrene partition coefficients (Kd) followed the order of PN>BL>OP>RR>WC, ranged from 2484+/-24.24 to 5306+/-92.49L/kg. Ex...
Transmission electron microscopy studies on solution-annealed Alloy 800 revealed small (100-200 nm), spherical-shaped titanium carbide (face centered cubic structure) and large (200 nm-5 #mu#m), faceted titanium nitride (hexagonal structure) particles randomly distributed in the austenite matrix. The volume fraction of former particles was found to be greater than that of the latter. Corrosion studies of the alloy in acidic, chlorides and acidic chloride environments at room temperature indicated that the passivity of Alloy 800 was adversely affected by the addition Cl"- ions. X-ray photoelectron spectroscopy revealed that the surface film formed on the alloy at the onset of passivity consisted of Cr"3"+ (as Cr_2O_3), without any Fe"3"+/Fe"2"+ or Ni"2"+. Scanning electron microscopy studies indicated initiation of pitting at large, faceted particles, not at small, spherical-shaped ones.
Antibodies to hemoglobin have been studied with a radioimmunoassay which employs ["1"4C]carbamylated (= carbamoylated) hemoglobin S. An antiserum raised against hemoglobin S, which initially discriminated poorly between hemoglobins S and A, was fractionated by absorption to a column of Sepharose to which a synthetic peptide corresponding to the first 13 amino-acid residues of the #beta# chain of sickle hemoglobin had been covalently bound. A subpopulation of the antiserum was eluted from this column with 4 M guanidine . HCl. These antibodies showed binding to hemoglobin S but not to hemoglobin A and this interaction could be inhibited by the synthetic peptide. These antibodies, of demonstrated fine structural specificity, may be useful in the detection of sickle hemoglobin and in the study of its structure in solution.
The published literature is reviewed and supplemented by current information from the author's laboratory, to show the influence of various compositional, heat treatment and thermomechanical factors on the structural characteristics of Alloy 800. The features discussed include carbon, aluminium, titanium and boron, solution treatment, ageing treatments with and without applied strain, and cold working. Examples of the aspects reviewed include the effect of heat treatment and service or testing temperature on the austenite grain size, and the relative importance of M_2_3C_6 and TiC, the influence of carbon level on gamma prime, the effect of residual or steady stress combined with time at temperature on changes in carbide or gamma prime morphology, and on the appearance of sigma or other intermetallic phases. The questions posed by these features are discussed generally, in terms of their effect on the mechanical properties at ambient and ...
By magnetron sputtering model steel films with specific properties can be prepared for purposive surveys. By changing the deposition parameters certain properties of these films can be influenced. For this thesis steel films with 18% Cr and 8% Ni have been prepared in order to study specific parameters on the corrosion resistance of bulk stainless steel. Chemical composition, microstructure, and surface morphology of these films have been characterized. In comparison to bulk steel sheets with the same chemical composition they have a smaller grain size and a ferritic structure. In contrast to bulk steel sheets they don`t contain any nonmetallic inclusions like Mn-sulfides. The influence of these structural differences on the corrosion resistance has been studied. For this purpose the electrochemical properties of the sputter-deposited steels have been compared with the properties of steel sheets with a similar chemical composition (DIN 1.4301, ...
Minor M (M = Fe, Mn, Cr) additions are widely added to enhance the corrosion resistance of commercial cupronickel alloys. The present paper aims at optimizing the amounts of M in Cu_7_0(Ni,Fe,Mn,Cr)_3_0 (at.%) alloys using a cluster-plus-glue-atom model for stable solid solutions. By this model, it assumed that 1 M atom and 12 Ni atoms formed an M-centered and Ni-surrounded cube-octahedron cluster and the isolated M_1Ni_1_2 clusters are embedded in a Cu matrix, conforming to a cluster formula [M_1Ni_1_2]Cu_3_0_._3 = [M_1_/_1_3Ni_1_2_/_1_3]_3_0Cu_7_0. A structure of this kind satisfies ideally the nearest neighbor requirement, i.e. only M-Ni and Ni-Cu neighbors are allowed and the unfavorable Cu-M pairs are avoided, and hence it describes a stable solid solutionstructure with good thermal stability. Electrochemical corrosion measurements indicated that [(Fe_0_._6Mn_0_._2_5Cr_0_._1_5)_1Ni_1_2]Cu_3_0_._3 ...
After being pre-plated a zinc layer, an amorphous Al-Mn alloy coating was applied onto the surface of AZ31B magnesium alloy with a bath of molten salts. Then the corrosion performance of the coated magnesium alloy was examined in 3.5% NaCl solution by potentiodynamic polarization and electrochemical impedance spectroscopy (EIS). The results showed that the single Zn layer was active in the test solution with a high corrosion rate while the Al-Mn alloy coating could effectively protect AZ31B magnesium alloy from corrosion in the solution. The high corrosion resistance of Al-Mn alloy coating was ascribed to an intact and stable passive film formed on the coating. The performances of the passive film on Al-Mn alloy were further investigated by Mott-Schottky curve and X-ray photoelectron spectroscopy (XPS) analysis. It was confirmed that the passive film exhibited n-type semiconducting behavior in 3.5% NaCl ...
The gel electrolyte for the zinc-air cell was prepared by mixing hydroponics gel with a 6M potassium hydroxide aqueous solution. The self-discharge of cells was characterized by measuring the open-circuit voltage. The effect of a discharge rate of 50mA constant current on cell voltage and plateau hour, as well as the voltage-current and current density-power density were measured and analysed. The electrode degradation after discharge cycling was characterized by structural and surface methods. The oxidation of the electrode surface further blocked the utilization of the Zn anode and was identified as a cause for the failure of the cell. (author)
The tool materials durability problem, in particular shock and wear resistance, has allowed to formulate a set of requirements and also to stablish the dependence between physical properties and wear. However, for understanding the nature of the process, for example determining the tribological property of the cutting tool, it is necessary to consider the atom interactions in a crystal. A theoretical study of the physical properties of cutting tool materials (W-Ti-C) with varying concentration of titanium is presented. Total and partial local electronic density for each atom in such hard solutions were calculated. (nevyjel)
Solid solution-strengthened nickel base alloys have been used for nuclear stream generator tubing in pressurized water reactors since the beginnings of commercial nuclear power. The purpose of this paper is to recap and update the authors understanding of the relationship between processing, resulting structure, and properties for Alloy 600 and to discuss the requirements for optimized performance in both primary and secondary environments. Potential replacement materials and their performance will be discussed. Also discussed is the role and importance of system chemistry, bulk and local, and control and its relationship to performance. A discussion of potential mechanisms of environmentally assisted failure is also discussed.
Solid solution-strengthened nickel base alloys have been used for nuclear stream generator tubing in pressurized water reactors since the beginnings of commercial nuclear power. The purpose of this paper is to recap and update the authors understanding of the relationship between processing, resulting structure, and properties for Alloy 600 and to discuss the requirements for optimized performance in both primary and secondary environments. Potential replacement materials and their performance will be discussed. Also discussed is the role and importance of system chemistry, bulk and local, and control and its relationship to performance. A discussion of potential mechanisms of environmentally assisted failure is also discussed.
A new class of solutions of the euclidean Einstein equations with #LAMBDA#-term ( A-class ) is found by solving the complex two-dimensional Kaehler Einstein equations with the following realization of complex metrics. The A-Class includes two gravitational instantons already known: the CP"2 and the Eguchi-Hanson metric, and allows a U(1)-generalized spin structure. It is shown that all Einstein euclidean two-axial Bianchi type IX metrics are exhausted by the Taub-NUT-de Sitter family and the A-class. (orig.).
We point out that the moduli sector of the $(2,2)$ string compactification with its nonperturbatively preserved non-compact symmetries is a fertile framework to study global topological defects, thus providing a natural source for the large scale structure formation. Based on the target space modular invariance of the nonperturbative superpotential of the four-dimensional N=1 supersymmetric string vacua, topologically stable stringy domain walls are found. They are supersymmetric solutions, thus saturating the Bogomolnyi bound. It is also shown that there are moduli sectors that allow for the global monopole-type and texture-type configurations whose radial stability is ensured by higher derivative terms.
The United States Department of Energy (DOE) is committed to providing high quality products that satisfy customer needs and are the associated with this goal, DOE personnel must possess the knowledge, skills, and abilities to ensure successful job performance. In addition, there must be recognition that the greatest obstacle to proper project performance is inadequate project definition. Without strong project definition, DOE environmental management efforts are vulnerable to fragmented solutions, duplication of effort, and wastes resources. The primary means of ensuring environmental management projects meet cost and schedule milestones is through a structured and graded approach to project definition, which is the focus of this handbook.
Sulfuric acid hydrogen peroxide mixtures (SPM) are commonly used in the semiconductor industry to remove organic contaminants from wafer surfaces. This viscous solution is very difficult to rinse off water surfaces. Various rinsing conditions were tested and the resulting residual acid left on the water surface was measured. Particle growth resulting from incomplete rinse is correlated with the amount of sulfur on the wafer surface measured by Time of Flight Secondary Ion Mass Spectroscopy (TOF-SIMS). The amount of sulfur on the wafer structure after the rinse step is strongly affected by the wafer film type and contact angle prior to the SPM clean.
Reinforced (heterogel) silicate materials containing an amorphous and a crystalline phase are being used more and more industry. Such systems are energetically unsaturated and therefore promising for use in catalysts. The authors used two reinforced materials as supports: an aluminosilicate containing a zeolite (the cracking catalyst, tseokar) and asbestos-containing aluminosilicate. The active component was introduced by impregnation, and this was followed by heat treatment during which the chemical composition and porous structure were formed. The impregnating mixture consisted of solutions of potassium sulfate and vanadate of the required concentrations. The testing shows that reinforced heterogel systems are promising as support materials for sulfuric acid catalysts.
HgTe rod-shape composed of crystalline particles has been prepared by a hydrothermal method, and characterized by means of X-ray powder diffraction (XRD), scanning electron microscopy (SEM), and transition electron microscopy (TEM). The effects of capping agents, reductants, reaction temperatures, and reaction times on crystal structures and shapes of HgTe have been investigated. The results showed that the CTAB as capping agent plays a crucial role in the hydrothermal process. The synthesis procedure is simple and uses less toxic reagents than the previously reported methods.
With a modelling approach based on cellular automata, five observed types of plant development can be simulated. In addition, the proposed model shows a strong tendency towards the formation of patches and a high degree of dynamical and structural instability leading to limits of predictability for the asymptotic solution chosen by the system among several possible metastable patterns (multistability). Further, external fluctuations can be shown to have advantages for certain plant types. The presented model unifies the fundamental dichotomy in vegetation dynamics between determinism (understood as predictability) and disorder (chance effects) by showing the outcome of both classical theories as special cases. (author) 2 figs., 4 refs.
Topological Chern-Simons theory coupled to matter fields is analysed in the framework of Dirac's method of quantising constrained systems in a general class of linear, non-local gauges. We show that in the weak coupling limit gauge invariant operators in the theory transform under an exchange according to a higher dimensional representation of the braid group which is built out of the fundamental representation matrices of the gauge group and thus behave like anyons. We also discover new solutions of the Yang-Baxter equation which emerges as a consistency condition on the structure functions of the operator algebra of the matter fields. (orig.).
The post (neutron) -irradiation high-temperature tensile and creep-rupture properties, deformation and fracture characteristics of austenitic alloys, particularly solution annealed Type 316 steel, are surveyed and correlated with the damage structures developed as a function of irradiation temperature (and dose). The mechanisms proposed to explain the irradiation-induced changes in properties and behaviour are summarised. The factors responsible for the observed differences in the post-irradiation and 'in-reactor' creep-rupture properties and behaviour of an austenitic steel are discussed in terms of the helium gas and stress driven growth of small intergranular bubbles and the atom plating associated with their growth and coalescence. (author).
Time delay neural networks trained with the backpropagation algorithm are derived for the gun fire control system to correct the miss distance between a target and the projectiles from the gun. Its performance is compared to optimum linear filter based on minimum mean square error [R.E. Kalman, A new approach to linear filtering and prediction problems, J. Basic Eng. 82D (1960) 35-44.]. The structure of the proposed neural controller is described and performance results are shown.
The solvation properties of a chlorine ion in small water clusters are investigated using state-of-the-art statistical mechanics. The simulations employ the polarizable water model developed recently by Dang [J. Chem. Phys. [bold 97], 2659 (1992)]. The ion--water interaction potentials are defined such that the successive binding energies for the ionic clusters, and the solvation enthalpy, bulk vertical binding energy, and structural properties of the aqueous solution agree with the best available results obtained from experiments. Simulated vertical electron binding energies of the ionic clusters Cl[sup [minus
Beta-C trademark is a metastable beta titanium alloy which can be heat treated to achieve a good combination of properties such as tensile strength, fatigue strength, ductility and toughness, such as needed in aircraft fasteners. Variations in hot and cold processing parameters and solution heat treatment can affect the resultant grain structure which in turn affects subsequent aging response and mechanical properties. Several processing/heat treating routes on round bar are explored in this study to determine the effects on microstructure and various mechanical properties.
In the United States, economic growth increasingly requires that greater volumes of freshwater be made available for new users, yet supplies of freshwater are already allocated to existing users. Currently, water for new users is made available through re-allocation of xisting water supplies-for example, by cities purchasing agricultural water rights. Water may also be made available through conservation efforts and, in some locales, through the development of ''new'' water from non-traditional sources such as the oceans, deep aquifer rackish groundwater, and water reuse.
Glow discharge plasma nitriding of AISI 304 austenitic stainless steel has been carried out for different processing time under optimum discharge conditions established by spectroscopic analysis. The treated samples were analysed by X-ray diffraction (XRD) to explore the changes induced in the crystallographic structure. The XRD pattern confirmed the formation of an expanded austenite phase (#gamma#_N) owing to incorporation of nitrogen as an interstitial solid solution in the iron lattice. A Vickers microhardness tester was used to evaluate the surface hardness as a function of indentation depth (#mu#m). The results showed clear evidence of surface changes with substantial increase in surface hardness.
Experimental investigation data are systematized of free radical states and processes in irradiated proteins. The investigation is performed by the radiospectral methods. Results are discussed in detail of the study of free radicals electronic structure of amino acids, peptides and proteins formed by the action of ionizing radiation. The specificity is stressed of the study of monocrystalls of these compounds by the method of electronic paramagnetic resonance. The nature is also studied of primary centres formed under the effect of radiation on biologically important compounds and their subsequent reactions in solid and liquid solutions. Ion-radical states of different functional groups of the protein molecule are studied. Prospects of the study and the role of anion-radicals in biological processes are discusses.
The kinetics of HO{sub 2} radicals in UV-irradiated frozen dilute solutions of H{sub 2}O{sub 2} were followed by the ESR technique. Radical disproportionations at the irradiation temperature were found to be adequately described in terms of dispersive kinetics by a second-order equal-concentration kinetic equation with rate parameters changing non-monotonically in the temperature range 100-200 K. These changes are thought to occur due to well separated structural relaxation regions of polycrystalline ice in the above temperature range. (author).
Optimization is a powerful paradigm for expressing and solving problems in a wide range of areas, and has been successfully applied to many vision problems. Discrete optimization techniques are especially interesting since, by carefully exploiting problem structure, they often provide nontrivial guarantees concerning solution quality. In this paper, we review dynamic programming and graph algorithms, and discuss representative examples of how these discrete optimization techniques have been applied to some classical vision problems. We focus on the low-level vision problem of stereo, the mid-level problem of interactive object segmentation, and the high-level problem of model-based recognition. PMID:20660950
'Objective of this project is to develop and use Electrochemical Emission Spectroscopy (EES) and other electrochemical techniques as in situ tools for exploring corrosion mechanisms of iron and carbon steel in highly alkaline solutions and for continuously monitoring corrosion on structural materials in DOE liquid waste storage system. In particular, the author will explore the fundamental aspects of the passive behavior of pure iron since breakdown of passivity leads to localized corrosion. This report summarizes work after 1 year of a 3 year project.'
Corrosion is increasingly becoming an important factor reducing the reliability of many nuclear power plant components. The significance is evaluated of corrosion phenomena with respect to the reliability of primary circuit components of LWR's, viz., the reactor pressure vessel, primary piping, steam generator, and fuel elements. The mechanism of corrosion phenomena is explained and methods of minimizing their effects are presented. An analysis is made of the needs to solve the corrosion problems of nuclear power plants from the point of view of Czechoslovak producers and research and development activities. International cooperation is reviewed and main problems are formulated on which the solution of corrosion problems of structural materials used in WWER type nuclear power plants should be focussed. (author).
The theoretical principles underlying the formation of oxide and, in particular, anodic oxide coatings on metals produced by chemical oxidation, anodizing in solutions, and anodizing in cold plasmas are reviewed. The mechanisms and conditions of anodic oxidation are described, and the structure of anodic oxide coatings on aluminum, magnesium, beryllium, zinc, cadmium, iron, cobalt, nickel, titanium, zirconium, tantalum, and chromium alloys is examined. Attention is also given to various applictins of anodized coatings. 54 references.
... been possible to prove the existence and uniqueness of a classical solution which tends to the well-known solution of the Stefan problem as the ...
Polycrystalline ZnS semiconducting films have been prepared in sandwich configuration by spray pyrolysis technique using ZnO-coated glass substrates and mixed aqueous solutions of ZnCl{sub 2} and thiourea. The sandwich structures have been produced successfully by means of ZnO-coated glass substrates. The produced ZnS films have been crystallized in a wurtzite structure and had a direct band gap energy of 3.62 eV. The electrical properties of the sample have been studied by an analysis based on the thermally stimulated current spectra in the temperature range of 40-300 K with various heating rates. A set of curves of I (T) for varying initial density of filled traps at a heating rate of {beta} {sub 2}=0.06 K s{sup -1} indicate that the observed peaks in the TSC curve of polycrystalline ZnS films have first-order features. In order to evaluate the trap parameters of ZnS films, we have used curve-fitting method. The values of ...
Single-crystal neutron diffraction has been used to observe the interactions between deuterated ethanol (CD3CD2OH) and lysozyme in triclinic crystals of hen egg white lysozyme soaked in 25% (v/v) ethanol solutions. A total of 6047 observed reflections to a resolution of 2 A were used, and 13 possible ethanol sites were identified. The three highest occupied sites are close to locations for bromoethanol found in an earlier study by Yonath et al. [Yonath, A., Podjarny, A., Honig, B., Traub, W., Sielecki, A., Herzberg, O., and Moult, J. (1978) Biophys. Struct. Mech. 4, 27-36]. Structure refinements including a model for the flat solvent lead to a final crystallographic agreement factor of 0.097. Comparison with earlier neutron studies on triclinic lysozyme showed that neither the molecular structure nor the thermal motions were affected significantly by the ethanol. A detailed analysis of the ethanol-lysozyme contacts showed ...
Multi-walled carbon nanotubes (MWNTs) were modified with poly(hexamethylene adipamide) (also known as Nylon 66) via a controlled polymer solution crystallization method. A 'nanohybrid shish kebab' (NHSK) structure was found wherein the MWNT resembled the shish while Nylon 66 lamellar crystals formed the kebabs. These Nylon 66-functionalized MWNTs were used as precursors to prepare polymer/MWNT nanocomposites. Excellent dispersion was revealed by optical and electron microscopies. Nitric acid etching of the nanocomposites showed that MWNT formed a robust network in Nylon 66. Non-isothermal DSC results showed multiple melting peaks, which can be attributed to lamellar thickness changes upon heating. The crystallite sizes L{sub 100} and L{sup 010} of Nylon 66, determined by WAXD, decreased with increasing MWNT contents. Isothermal DSC results showed that crystallization kinetics increased first and then decreased with increasing ...
We have developed a chemical process for incorporating copper into indium gallium selenide layers with the goal of creating a precursor structure for the formation of copper indium gallium diselenide (CIGS) photovoltaic absorbers. Stylus profilometry, EDX, Raman spectroscopy, XRD and SIMS measurements show that when indium gallium selenide layers are immersed in a hot copper chloride solution, copper is incorporated as copper selenide with no increase in the thickness of the layers. Further measurements show that annealing this precursor structure in the presence of selenium results in the formation of CIGS and that the supply of selenium during the annealing process has a strong effect on the morphology and preferred orientation of these layers. When the supply of Se during annealing begins only once the substrate temperature reaches ? 400 deg. C , the resulting CIGS layers are smoother and have more pronounced preferred ...
The structure and vibrational properties of high voltage cathode materials, namely LiNi{sub 1-y}CO{sub y}VO{sub 4} solid solution with (0{<=}y{<=}1), have been studied using X-ray diffraction, Raman scattering and FTIR measurements. Rietveld refinements show that LiNi{sub 1-y}Co{sub y}VO{sub 4} vanadates belong to the inverse spinel structure with Fd3m(O{sup 7}{sub h}) space group. Analysis of Raman spectra has been carried out in the molecular approximation using a local environment model including VO{sub 4} tetrahedra, (Ni, Co)O{sub 6} and LiO{sub 6} octahedra as vibrational local units. (orig.)
The service conditions for high-temperature heat-exchangers with helium coolant of HTGRs and requirements imposed on materials for their production are discussed. The choice of nickel-base alloys with solid-solution hardening for long-term service at high temperatures is grounded. Results of study on properties and structure of types Ni-25Cr-5W-5Mo and Ni-20Cr-20W alloy in the temperature range of 900 deg. - 1,000 deg. C are given. The ageing of Ni-25Cr-5W-5Mo alloy at 900 deg. - 950 deg. C results in decreased corrosion-mechanical properties and is caused by the change of structural metal stability. Alloy with 20% tungsten retains a high stability of both structure and properties after prolonged exposure in helium at above temperatures. The alloy has also increased resistance to delayed fracture and low-cycle fatigue at high temperatures. The developed alloy of type Ni-20Cr-20W with microalloying is ...
ABO{sub 3} perovskite-type oxides having vacancies in the A-sites of their structure are interesting candidates for solid electrolytes when their A-sites are occupied by Li{sup +} ions having a high mobility. This is the case with the [Li{sub 3x}La{sub 2/3-x}]TiO{sub 3} solid solution compound which has a 10{sup -3} S cm{sup -1} ionic conductivity at ambient temperature. Electrochemical intercalation in this material is possible thanks to the presence of Ti{sup 4+} but the small amount of vacancies (0.33 maximum) leads to a low intercalation rate. In order to solve this problem, the LiLaNb{sub 2}O{sub 7} material which has a greater amount of vacancies has been studied and the results relative to the electrochemical intercalation of lithium in this perovskite are presented. The thermodynamical and kinetics properties of the lithium intercalation reaction have been studied by intermittent galvano-static discharges and impedance spectroscopy in ...
The DGs (Diesel Generators) in NPP (Nuclear Power Plant) has been used for the emergency electric power source to shot down the nuclear reactor safety in case of station blackout. The RCM (Reliability Centered Maintenance) has been applied to DGs for increasing the safety of NPP. The structured defects of DG were not remedied by the improvement of maintenance method. As the first stage of RCM, to find the structured defect, its failure= models were searched and analyzed through the ten year maintenance information. The structured defects such as the air compressor, the lubricating oil pressure, and the insufficient load were the root causes of main failures. The air reservoir reinstallation, the lubricating oil tube modification, the load bank installation, and the qualitative instrumentation were the solutions for the hardware oriented RCM of DGs. There remains the software oriented RCM such as the ...
The influence of Pd-Ni substitution on the formation of magnetic phases in the tetragonal U(Ni{sub 1-x}, Pd{sub x}){sub 2}Si{sub 2} system and the concentration magnetic phase diagram are presented. A series of different substitutions was prepared and detailed studies by powder neutron diffraction were performed for x=0.25, 0.5 and 0.75. All compounds order antiferromagnetically and form ferromagnetic basal planes stacked along the c axis (q=(0,0,q{sub z}) propagation). The ground-state phase (AF3) of UNi{sub 2}Si{sub 2} is an uncompensated AF structure (++- stacking (q{sub z}=2/3)). In UPd{sub 2}Si{sub 2} the ground-state phase corresponds to the simple AF structure AF2 (+-+-(q{sub z}=1)). In solid solutions, no traces of the AF3 phase were found for x=0.25 and the ground-state powder patterns correspond to AF2 for x{>=}0.25. (orig.)
The influence of Pd-Ni substitution on the formation of magnetic phases in the tetragonal U(Ni_1_-_x, Pd_x)_2Si_2 system and the concentration magnetic phase diagram are presented. A series of different substitutions was prepared and detailed studies by powder neutron diffraction were performed for x=0.25, 0.5 and 0.75. All compounds order antiferromagnetically and form ferromagnetic basal planes stacked along the c axis (q=(0,0,q_z) propagation). The ground-state phase (AF3) of UNi_2Si_2 is an uncompensated AF structure (++- stacking (q_z=2/3)). In UPd_2Si_2 the ground-state phase corresponds to the simple AF structure AF2 (+-+-(q_z=1)). In solid solutions, no traces of the AF3 phase were found for x=0.25 and the ground-state powder patterns correspond to AF2 for x#>=#0.25. (orig.)
This project is concerned with the structure and function of the unique antenna system found in the green photosynthetic bacteria. The antenna system in these organisms is contained within a vesicle known as a chlorosome, which is attached to the cytoplasmic side of the cell membrane. Additional antenna pigments and reaction centers are contained in integral membrane proteins. Energy absorbed by the bacteriochlorophyll c (BChl c) pigments in the chlorosome is transferred via a ``baseplate`` array of BChl a antenna pigments into the membrane and to the reaction center. This system is similar in some respects to the phycobilisome antenna system found in cyanobacteria and some types of algae, in that a membrane-associated structure absorbs light and transfers it to the membrane where conversion to chemical energy takes place. However, the overall structure, the type of pigments utilized and the nature of the proteins in these ...
Modelization of crack propagation and theoretical prediction of rupture are the two main objectives of researchers in stress corrosion cracking. Nevertheless, to reach this aim, the behavior of the passive film which appears spontaneously on the substrate in contact with an environment has to be known. This structural and mechanical characterization is all the more difficult because the number of parameters is important: crystallinity rate, defects concentration, thickness (about a few nanometers), electric field, chemical composition (a lot of oxides are present), peeling layers (atomic structure for example) and some hypothesis can be made about their multi-layer structure, their chemical composition or their epitaxial character... Passive films formed on 316L or 304L stainless steels in different aqueous solutions (in ambient air, in MgCl{sub 2} at 117 deg. C...) have been studied and some important ...
Modelization of crack propagation and theoretical prediction of rupture are the two main objectives of researchers in stress corrosion cracking. Nevertheless, to reach this aim, the behavior of the passive film which appears spontaneously on the substrate in contact with an environment has to be known. This structural and mechanical characterization is all the more difficult because the number of parameters is important: crystallinity rate, defects concentration, thickness (about a few nanometers), electric field, chemical composition (a lot of oxides are present), peeling layers (atomic structure for example) and some hypothesis can be made about their multi-layer structure, their chemical composition or their epitaxial character... Passive films formed on 316L or 304L stainless steels in different aqueous solutions (in ambient air, in MgCl_2 at 117 deg. C...) have been studied and some important ...
This study reports on the physical-chemical behaviour of swelling di-octahedral clays (smectites) and their interaction with aqueous solutions and bacteria (Shewanella putrefaciens). Experimental results are presented for compacted clays, hydrated under confined volume conditions, using a new type of reaction-cell (the 'wet-cell' of Warr and Hoffman, 2004) that was designed for in situ X-ray diffraction (XRD) measurement. For comparison, dispersed clay systems were studied using standard batch solutions subjected to varying degrees of agitation. The combination of time-dependent in situ XRD measurements with gravimetric measurements and calculated diffraction patterns using the CALCMIX software (Plancon and Drits, 1999) allowed to successful quantification of the dynamics of water uptake and storage. This analytical procedure combined with published water vapour adsorption data enabled determination of the abundance of ...
Full text of publication follows: A porous media solution PORFLO has been developed for the 3-dimensional two-phase flow by describing the process facility in Cartesian or cylindrical coordinates. The local porosity fraction is applied for distinguishing the fluid filled volumes from the solid structures. The solid structure contribute the two-phase flow through the wall friction, flow area and heat transfer. Optionally the solid structure may contain primary liquid of steam generators, steam in the higher temperature and pressure to be condensed or electrical heating power. By using these optional boundary conditions three different process facilities have been analysed. The thermohydraulic solution based on 5-equation approach, where the conservation equations are solved for the liquid and gas (vapour) mass, mixture momentum (giving the velocity only for the mixture), liquid and ...
When Silk fibre derived from Bombyx mori, a native biopolymer, was dissolved in highly concentrated neutral salts such as CaCl{sub 2}, the regenerated liquid silk, a gradually degraded peptide mixture of silk fibroin, could be obtained. The silk fibroin nanoparticles were prepared rapidly from the liquid silk by using water-miscible protonic and polar aprotonic organic solvents. The nanoparticles are insoluble but well dispersed and stable in aqueous solution and are globular particles with a range of 35-125 nm in diameter by means of TEM, SEM, AFM and laser sizer. Over one half of the {epsilon}-amino groups exist around the protein nanoparticles by using a trinitrobenzenesulfonic acid (TNBS) method. Raman spectra shows the tyrosine residues on the surface of the globules are more exposed than those on native silk fibers. The crystalline polymorph and conformation transition of the silk nanoparticles from random-coil and {alpha}-helix form (Silk I) into ...
The corrosion behaviour of the stainless steels 304, 316 Ti, 25Cr-20Ni-Mo-Ti, nickel base alloys Hastelloy C4, Inconel 625, Incoloy 800, Ti and Ti-0.2% Pd alloy has been studied in the aerated or deaerated solutions at 20/sup 0/C and 90/sup 0/C whose compositions are representative of interstitial ground waters: granitic or clay waters or salt brine. The electrochemical techniques used are voltametry, polarization resistance and complexe impedance measurements. Electrochemical data show the respective influence of the parameters such as temperature, solution composition and dissolved oxygen, addition of soluble species chloride, fluoride, sulfide and carbonates, on which depend the corrosion current density, the passivation and the pitting potential. The inhibition efficiency of carbonate and bicarbonate activities against pitting corrosion is determined. In clay water at 90/sup 0/C, Ti and Ti-Pd show very high passivation aptitude and a broad ...
Aluminum, due to its low density and low cost, is a key material for future lightweight applications. However, like other structural materials, aluminum is subject to various forms of corrosion damage that annually costs the United States approximately 5% of its GNP [1]. The main goal is to investigate the effects of various solution anions on aluminum surfaces, and specifically probe pit initiation and inhibition. Using surface analysis techniques including X-ray photoelectron spectroscopy, Auger electron spectroscopy, and scanning electron microscopy, results have been correlated with those obtained from electrochemical methods and a radiolabeling technique developed in the Wieckowski laboratory. Analysis of data has indicated that important variables include type of anion, solution pH, and applied electrode potential. While aggressive anions such as chloride are usually studied to elucidate corrosion processes to work ...
The semiconducting compound CuGa_xIn_1_-_xSe_2 crystallizes in the chalcopyrite structure (space group Ianti 42d, Z=4). The X-ray powder data for x=1, 0.75, 0.6, 0.5, 0.4, 0.25 and 0.0 have been collected and it is found that the lattice parameters a and c and their ratio c/a vary linearly with x. Thus the composition of any chalcopyrite in the pseudo-binary system CuGaSe_2 and CuInSe_2 can be obtained from the accurate lattice parameters. The crystallite size determined from the (112) plane is minimum for x=0.50 (#propor to#1000 A) and away from x=0.50 it increases. A value of u=0.240 (5) has been established for fixing, the Se-atom positions in the CuGa_0_._5In_0_._5Se_2 solid solution. The JCPDS Diffraction File No. for CuInSe_2 is 40-1487 and for CuGa_0_._5In_0_._5Se_2 is 40-1488. (orig.).
In this paper the structural and functional changes of gamma irradiated bovine hemoglobin are presented. Aqueous solutions/1%/of HbO_2 were irradiated in air with doses ranging from 1 to 4 Mrad. Isoelectric focusing indicated change of the charge of irradiated hemoglobin. The isoelectric point of hemoglobin was displaced towards more acid values with increasing doses, up from 1 Mrad. Fingerprint analysis and peptide column chromatography of irradiated hemoglobin demonstrated disturbances increasing with the dose. These changes were confirmed by amino acid analysis which showed that Cys, Met, Trp, His, Pro and Tyr residues were destroyed or modified following irradiation. At doses exceeding 1 Mrad the irradiated solutions of hemoglobin showed a decrease of heme-heme interaction and an increase of affinity for oxygen. Differences observed in oxygen-dissociation curves seem to be correlated with the radiation induced ...
This document gathers the presentations given at the first French national meetings of solar energy for the development of solar systems in buildings. The meeting was organized over two days. The first day comprises 4 workshops about: urbanism and planning, cultural acceptability of solar energy in buildings (the OPAC 38 housing association, point of view on an energy information point, the Freiburg (Germany) solar region and marketing examples), technical integration to the structure (Clipsol solutions), and economical criteria (compared impacts of R and D public photovoltaic programs (USA, Japan, Germany, France, Italy), financing of rehabilitation projects, global approach of solar photovoltaic energy, technical solutions and strategy of products development, why and how to make an economical analysis of solar energy applications in the building industry). The second day comprises a plenary session and a round table: ...
The high-energy radiation-induced degradation of an H-acid derivative azo dye, Apollofix-Red SF-28 (AR-28) was studied in aqueous solution by using pulse radiolysis with kinetic spectroscopic detection for transient measurements. Gamma radiolysis with UV-VIS spectroscopy and gradient ionpair HPLC separation with diode array detection were applied for following the destruction of AR-28 and measuring the products. The reactions of hydrated electron (e_a_q "-) and hydroxyl ("#centre dot#OH) radical were investigated separately. "#centre dot#OH reacts with the unsaturated bonds of the molecule. In the further reactions of the "#centre dot#OH adduct radicals, the AR-28 molecules partly reform with a slightly modified structure. The products formed in the first reaction of "#centre dot#OH and AR-28 molecules have also high reactivity towards the "#centre dot#OH radicals. For these reasons the efficiency of "#centre dot#OH radicals in discolouration ...
Dopant-free Bi{sub 2}Ti{sub 2}O{sub 7} thin films with pyrochlore structure and La-doped bismuth titanate thin films have been fabricated by means of chemical solution decomposition, and characterized by X-ray diffraction, atomic force microscopy, scanning electron microscopy and UV-Vis spectrophotometry in this study. Their photocatalytic activities have been evaluated by photodegrading methyl orange solution, and the optimum processing parameters for the highest photocatalytic activity have been found. Moreover, the effects of La-doping on the phase transformation and the photocalalytic activity have been studied. It has been deduced from the experiment result that substituted La{sup 3+} ions can act as a stabilizer of Aurivillus phase BLT and a grain-growth inhibitor in BLT thin films.
Li{sub 1.3}Al{sub 0.3}Ti{sub 1.7}(PO{sub 4}){sub 3} thin films were successfully prepared by the solution deposition using lithium acetate, aluminum nitrate, ammonium dihydrogen phosphate and titanium butoxide as starting materials. The structure, surface morphology, electrochemical window, and ionic conductivity of the films were studied by X-ray diffraction, scanning electron microscopy, cyclic voltammetry and AC impedance. The results showed that Li{sub 1.3}Al{sub 0.3}Ti{sub 1.7}(PO{sub 4}){sub 3} thin films annealed between 750 deg. C and 900 deg. C prepared by this method were well crystallized, homogenous and crack-free. The electrochemical window was beyond 2.4 V and the ionic conductivity was approximately 1.57x10{sup -5} S/cm at room temperature for the film annealed at 800 deg. C for 30 min.
Li_1_._3Al_0_._3Ti_1_._7(PO_4)_3 thin films were successfully prepared by the solution deposition using lithium acetate, aluminum nitrate, ammonium dihydrogen phosphate and titanium butoxide as starting materials. The structure, surface morphology, electrochemical window, and ionic conductivity of the films were studied by X-ray diffraction, scanning electron microscopy, cyclic voltammetry and AC impedance. The results showed that Li_1_._3Al_0_._3Ti_1_._7(PO_4)_3 thin films annealed between 750 deg. C and 900 deg. C prepared by this method were well crystallized, homogenous and crack-free. The electrochemical window was beyond 2.4 V and the ionic conductivity was approximately 1.57x10"-"5 S/cm at room temperature for the film annealed at 800 deg. C for 30 min.
The Predictive Capability Maturity Model (PCMM) is a new model that can be used to assess the level of maturity of computational modeling and simulation (M&S) efforts. The development of the model is based on both the authors experience and their analysis of similar investigations in the past. The perspective taken in this report is one of judging the usefulness of a predictive capability that relies on the numerical solution to partial differential equations to better inform and improve decision making. The review of past investigations, such as the Software Engineering Institute's Capability Maturity Model Integration and the National Aeronautics and Space Administration and Department of Defense Technology Readiness Levels, indicates that a more restricted, more interpretable method is needed to assess the maturity of an M&S effort. The PCMM addresses six contributing elements to M&S: (1) representation and geometric fidelity, (2) physics ...
In recent years, the influences of acid rain such as the acidification of lake water, on bio-system by the heavy metals from effluent of soils with acid rain and also on the structural materials of buildings are seriously discussed. Sulfur and nitrogen that are contained in fossil fuels are released into the atmosphere by the fuel combustion as their oxides dissolve in rain drops as sulfite and nitrous ions, where they are further oxidized into sulfate and nitrate ions These ions lower the pH of rain water resulting so-called acid rain. Therefore, it is important to accurately determine these ions in rain water for the investigation of reality of acid rain. However, it is not easy to accurately determine these ions, especially for sulfite ions in rain water, since they are quickly oxidized by the catalytic action of metallic ions such as ferric and manganous ions. And light, temperature, pH of solution and also species and concentrations of ...
Due to the increased computer power and advanced algorithms, quantum mechanical calculations based on Density Functional Theory are more and more widely used to solve real materials science problems. In this context large nonlinear generalized eigenvalue problems must be solved repeatedly to calculate the electronic ground state of a solid or molecule. Due to the nonlinear nature of this problem, an iterative solution of the eigenvalue problem can be more efficient provided it does not disturb the convergence of the self-consistent-field problem. The blocked Davidson method is one of the widely used and efficient schemes for that purpose, but its performance depends critically on the preconditioning, i.e. the procedure to improve the search space for an accurate solution. For more diagonally dominated problems, which appear typically for plane wave based pseudopotential calculations, the inverse of the diagonal of (H - ES) is used. However, for ...
Despite their high medical relevance, the principles of lubrication in natural joints are still unclear. It is generally accepted, that the presence of hyaluronic acid (HA), the main component of the synovial liquid, plays an important role for the low friction observed. Furthermore, it is assumed that surface active lipids participate in the lubrication. Using a model system of lipid bilayers deposited on a polyelectrolyte (PE) cushion and in contact with HA solution, we started to investigate the effects of pressure and shear forces, as experienced by natural joints, on the internal structure of the SiO{sub 2}/PE/lipid/HA interface and the bulk HA solution by neutron reflectometry (NR), complemented by in situ ellipsometry and quartz crystal microbalance (QCM-D) measurements. Only on positively charged polyelectrolyte surfaces, the successful build-up of the model system could be demonstrated. By NR, the existence of an ...
Photorefractives, in general, are among the most promising materials solutions to real time optical correlation. Applications include military target recognition and civilian robotic vision. Crystals of sillenite structure photorefractives, Bi12XO20, where X equals Si, Ge, or Ti, have been grown by melt techniques and in the case of bismuth silicon oxide (BSO) and bismuth titanium oxide (BTO) by the hydrothermal method of high-temperature/high-pressure solution growth. The two growth methods are discussed and crystals grown by the two methods are compared in this paper. Optical absorption and TSC studies show that hydrothermal BSO is essentially free of the native antisite Bi defect which usually acts as a donor. These studies also show that the trap density is greatly reduced in hydrothermal material. Preliminary experiments show that hydrothermal BTO crystals have improved properties over melt grown samples. Al and P act ...
In order to develop a high-efficiency coal pyrolysis method, flash pyrolysis was experimented on slurry prepared by using liquid-phase oxidation reformed coal and a methanol-based solvent mixture. Australian Morwell coal was used for the experiment. The oxidized coal, into which carboxyl groups have been introduced, has the condensation structure relaxed largely, and becomes highly fluid slurry by means of the solvent. Char production can be suppressed by making the oxidation-pretreated coal into slurry, resulting in drastically improved pyrolytic conversion. The slurry was divided into dissolved solution, dried substance, extracted residue, and residual slurry, which were pyrolized independently. The dissolved solution showed very high conversion. Improvement in the conversion is contributed by separating the dissolved substances (coal macromolecules) at molecular levels, coagulating the molecules, suppressing cross-link ...
A modified boundary element approach was used to analyze the response of offshore piles subjected to external soil movements. The computer model employed to solve the pile-soil problem was able to model pile head and tip loading, and loading caused by lateral movement of soil. A nonlinear pile-soil interface element with the ability to represent a hardening or softening plastic response prior to reaching an ultimate state was incorporated. With the program, 4 failure modes can be determined: flow of the soil slide past an intact stationary pile; rotation of the pile with the soil at failure along the full pile length; translation of the pile with the sliding soil, resulting in failure of the supporting soil; and the long-pile mode, in which the maximum bending moment in the pile reaches the yield moment of the pile before complete development of the other 3 modes. Theoretical solutions for a realistic hypothetical offshore pile subjected to submarine slides are ...
The goal of this work is to study the effect of the aqueous medium pH on the two-phase equilibrium behaviour of the aqueous {1-butyl-3-methylimidazolium bromide ([C4mim]Br)+potassium citrate} system in order to obtain further information about the salting-out effect produced by the addition of a kosmotropic salt to an aqueous solution of a hydrophilic ionic liquid (IL). For this purpose the phase diagrams and the liquid-liquid equilibrium (LLE) data of the {[C4mim]Br+potassium citrate} aqueous two-phase system (ATPS) were determined experimentally at different pH values. Four medium pH values (5.00, 6.00, 7.00 and 8.00) were assayed at T=298.15K. The effect of pH on the ATPS-promoting capability of citrate anions in the aqueous [C4mim]Br solutions was explained based on the structural hydr...
A room-temperature process for stabilizing mineral waste streams has been developed, based on acid-base reaction between MgO and H3PO4 or acid phosphate solution. The resulting waste form sets into a hard ceramic in a few hours. In this way, various alumina industry wastes, such as red mud and treated potliner waste, can be solidified into ceramics which can be used as structural materials in waste management and construction industry. Red mud ceramics made by this process were low-porosity materials ({approx}2 vol%) with a compression strength equal to portland cement concrete (4944 psi). Bonding mechanism appears to be result of reactions of boehmite, goethite, and bayerite with the acid solution, and also encapsulation of red mud particles in Mg phosphate matrix. Possible applications include liners for ponds and thickned tailings disposal, dikes for waste ponds, and grouts. Compatability problems arising at the ...
Thin passive films formed on highly corrosion-resistant type-312L stainless steel, containing 20 mass% chromium and 6 mass% molybdenum, in 2 mol dm{sup -3} HCl solution at 293 K have been analyzed by glow discharge optical emission spectroscopy (GDOES). The stainless steel does not suffer pitting corrosion even in this aggressive solution, showing a wide passive potential region. The depth profiles obtained clearly show a two-layer structure of the air-formed and passive films: an outer iron-rich layer and an inner layer highly enriched in chromium. Alloy-constituting molybdenum is deficient in the inner layer of the passive films and is enriched in the outer layer, particularly at the active dissolution potential. The molybdenum species in the outer layer may retard the active dissolution of stainless steel, promoting the formation of stable passive films highly enriched in chromium. Chloride ions are present only at the ...
Thin passive films formed on highly corrosion-resistant type-312L stainless steel, containing 20 mass% chromium and 6 mass% molybdenum, in 2 mol dm-3 HCl solution at 293 K have been analyzed by glow discharge optical emission spectroscopy (GDOES). The stainless steel does not suffer pitting corrosion even in this aggressive solution, showing a wide passive potential region. The depth profiles obtained clearly show a two-layer structure of the air-formed and passive films: an outer iron-rich layer and an inner layer highly enriched in chromium. Alloy-constituting molybdenum is deficient in the inner layer of the passive films and is enriched in the outer layer, particularly at the active dissolution potential. The molybdenum species in the outer layer may retard the active dissolution of stainless steel, promoting the formation of stable passive films highly enriched in chromium. Chloride ions are present only at the ...
Abstract We prepared BiOCl1-xBrx (x=0-1) solid solutions and characterized their structures, morphologies, and photocatalytic properties by X-ray diffraction, diffuse reflectance spectroscopy, scanning electron microscopy, Raman spectroscopy, photocurrent and photocatalytic activity measurements and also by density functional theory calculations for BiOCl, BiOBr, BiOCl0.5Br0.5. Under visible-light irradiation BiOCl1-xBrx exhibits a stronger photocatalytic activity than do BiOCl and BiOBr, with the activity reaching the maximum at x=0.5 and decreasing gradually as x is increased toward 1 or decreased toward 0. This trend is closely mimicked by the photogenerated current of BiOCl1-xBrx, indicating that the enhanced photocatalytic activity of BiOCl1-xBrx with respect to those of BiOCl and BiO...
Rapid corrosion of PWR steam generator carbon steel support structures and consequential denting of steam generator tubes led to considerable investigation of the mechanism of corrosion and for palliatives. The basic mechanism is now fairly well understood. Chloride present in the boiler feedwater from condenser leakage is concentrated in the support plate crevice as a result of the superheat present. This leads to the formation of a low pH acid ferrous chloride environment either through the hydrolysis of a weak base chloride such as MgCl_2 or the combined action of a neutral chloride with an oxidizing agent. Rapid attack of the carbon steel ensues with the Fe_3O_4 corrosion product forming at the metal/oxide interface. This oxide has a volume approximately twice that of the steel consumed and thus eventually fills the crevice between the tube and the support plate. Oxide growth continues leading to compression of the Alloy 600 primary tube and to distortion and ...
We report a simple method for the label-free detection of double-stranded DNA using surface-enhanced Raman scattering (SERS). We prepared cetyltrimethylammonium bromide (CTAB)-capped silver nanoparticles and a DNA-nanoparticle complex by adding silver nanoparticles to {lambda}-DNA solutions. In the present study, the utilization of CTAB-capped silver nanoparticles facilitates the electrostatic interaction between DNA molecules and silver nanoparticles; at the same time, the introduction of DNA avoids adding aggregating agent for the formation of nanoparticle aggregates to obtain large enhancement of DNA, because the DNA acts as both the probe molecules and aggregating agent of Ag nanoparticles. Atomic force microscopy (AFM) studies show that the morphology of DNA-Ag nanoparticle complexes seems to be determined by the concentrations of the DNA and the nanoparticles. Surface-enhanced Raman scattering (SERS) studies show that the morphology of the complexes plays a ...
At VNIIKRneft the possibility of using natural ore magnetite as an additive to neutralize hydrogen sulphide in drilling mud is considered. Its activity is sufficiently high and is dependent on the overall iron content and its dispersion. For example, the widely available YuGOK industrial group's magnetite compound, which has an overall content of iron of 66% and specific surface PSH-2 1500 cm/sup 2//g under normal operating conditions, is able to absorb in the first 5 hours 500 l hydrogen sulphide per 1 kg/hour. The activity of the YuGOK compound, which has been ground at the Il'sk weighting material plant to the specific surface of 3000 cm/sup 2//g (PSH-2), is inferior only by 10-15% to the ''sponge''. In addition, structural-mechanical indices of solutions that had been processed with both materials are identical when added in the 10-40% range by volume. At this activation level, to ...
The ortho-metalated Pt(II) complexes Pt(ppy)(CO)Cl (1), Pt(ptpy)(CO)Cl (2), and Pt(ppy)(Hppy)Cl (3) (where ppy and ptpy are respectively the ortho-C-deprotonated forms of 2-phenylpyridine and 2-p-tolylpyridine and Hppy is 2-phenylpyridine) have been prepared. The CO ligand is coordinated trans to the nitrogen atom of the ortho-metalated ligand and exerts a strong trans effect resulting in a relatively long Pt-N bond [2.114(19) {angstrom}]. This structure shows both the bidentate ppy ligand and the monodentate Hppy with the nitrogens of these ligands trans to each other. The UV/vis electronic absorption spectra of 1-3 have intense bands in the near-UV region ({approximately}375 nm) which have been assigned as metal to ligand charge transfer (MLCT) transitions, and higher energy bands were assigned as ligand-centered transitions. Each complex exhibits relatively long-lived structured emissions in the solid state at ambient temperature and at 77 K ...
In order to understand the resistance of passive films formed during corrosion processes, an analytical technique using x-ray diffraction was developed to examine the structure of metal in closest proximity to the metal/liquid interface. The in-situ structure at the metal liquid interface was examined for 90 % copper and 10 % nickel (90-10 Cu-Ni) in KOH solution at room temperature and at four different potentistatically controlled potentials ({minus}0.5 V, {minus}0.1 V, +0.5 V and +0.10 V versus Ni/NiO). The chemical changes at the metal interface were studied over a period of 48 hours. It was found that the integrity of the 90-10 Cu-Ni foil in KOH was lost after a continued application of the potential over 48 hours. The x-ray diffraction results indicated that the structure of both the inner and the outer passive layers, at {minus}0.5V and {minus}0.1 V (versus Ni/NiO), is comprised of Ni(OH){sub 2}, ...
One- and two-dimensional NMR techniques have been used to investigate the solutionstructures of (2S,6S,11S,15S)-2,6,11,15-tetramethyl-1,4,7,10,13,16-hexaoxacyclooctadecane (I) and (2R,3R,11R,12R)-2,3,11,12-tetramethyl-1,4,7,10,13,16-hexaoxyacyclooctadecane (II) macrocycle complexes of CaCl{sub 2} and Ca(NO{sub 3}){sub 2} in CDCl{sub 3}. Previous chiroptical studies of these and similar crown complexes by circularly polarized luminescence (CPL), total luminescence (TL), and circular dichroism (CD) spectroscopy have shown that the macrocycle asymmetric carbons in these complexes constrain the ring such that the sense of the ring twist in the S chiral ring complexes is opposite to that in the R chiral ring complexes. These studies have also shown that there is an added chirality element in the di- and trivalent (alkaline earth and lanthanide metal, respectively) nitrate complexes of I and II associated with the twist of the nitrate anions ...
Three phosphate based ceramics were studied for the immobilization of tri- and tetravalent actinides: britholites Ca{sub 9}Nd{sub 1-x}An{sub x} {sup IV}(PO{sub 4}){sub 5-x}(SiO{sub 4}){sub 1+x}F{sub 2}, monazites/brabantites Ln{sub 1-2x}{sup III}Ca{sub x}An{sub x}{sup IV}PO{sub 4} and Thorium Phosphate Diphosphate (TPD) Th{sub 4-x}An{sub x}{sup IV}(PO{sub 4}){sub 4}P{sub 2}O{sub 7}. For each material, the incorporation of Th, U(IV), or Ce(IV) in the structure was examined. This work was the early beginning of the incorporation of {sup 239}Pu and/or {sup 238}Pu in order to evaluate the effects of {alpha} -decay on these three crystallographic structures. The syntheses were carried out using dry chemistry methods, involving mechanical grinding then heating treatment (1100 deg C {<=} {theta} {<=} 1400 deg C). For britholites, we showed that the incorporation of thorium was complete for weight loading lower than 20 wt.% through the ...
This report forms part of an independent review of the specifications, execution and results of Task 6 of the Aespoe Task Force on Modelling of Groundwater Flow and Transport of Solutes, which is seeking to provide a bridge between site characterization (SC) and performance assessment (PA) approaches to solute transport in fractured rock. The present report is concerned solely with Task 6C, which relates to the construction and parametrisation of a block-scale hydrostructural model of the TRUE Block Scale region of the Aespoe Hard Rock laboratory. The task objectives, specifications and outcome are summarised and reviewed. Also, consideration is given to how the hydrostructural model might affect the outcomes of Task 6D and 6E. The main conclusions of this review are summarised below: The Task 6C hydrostructural model is a more comprehensive approach to quantitatively describing a volume of fractured rock than has been achieved hitherto. The ...
The transfer of 203Pb and/or 47Ca across the intestinal epithelium of the chick was investigated, with emphasis given to the functional role of cholecalciferol (vitamin D-3). 203Pb, after introduction in the intestinal lumen, is rapidly accumulated by the intestinal tissue, and only a fraction of 203Pb is translocated parenterally (absorbed). Cholecalciferol did not significantly affect the accumulation of 203Pb by intestinal tissue but did accelerate 203Pb movement across the basal-lateral membrane. In contrast, cholecalciferol both decreased 47Ca tissue levels and increased 47Ca absorption. In rachitic chicks, the rate of absorption of 203Pb was greater in the distal than in the proximal segments of the intestine; after cholecalciferol repletion, the degree of absorption in al segments was similar, indicting the order of cholecalciferol effectiveness as duodenum greater than or equal to jejunum greater than ileum. An acute dose of 1,25(OH)2D3 to rachitic chicks also enhanced both ...
The transfer of /sup 203/Pb and/or /sup 47/Ca across the intestinal epithelium of the chick was investigated, with emphasis given to the functional role of cholecalciferol (vitamin D-3). /sup 203/Pb, after introduction in the intestinal lumen, is rapidly accumulated by the intestinal tissue, and only a fraction of /sup 203/ Pb is translocated parenterally (absorbed). Cholecalciferol did not significantly affect the accumulation of /sup 203/Pb by intestinal tissue but did accelerate /sup 203/Pb movement across the basal-lateral membrane. In contrast, cholecalciferol both decreased /sup 47/Ca tissue levels and increased /sup 47/Ca absorption. In rachitic chicks, the rate of absorption of /sup 203/Pb was greater in the distal than in the proximal segments of the intestine; after cholecalciferol repletion, the degree of absorption in all segments was similar, indicating the order of cholecalciferol effectiveness as duodenum greater than or equal to jejunum > ileum. An acute dose of ...
The general principles of Cu(II) binding to algal waste from agar extraction, composite material and algae Gelidium, and different modelling approaches, are discussed. FTIR analyses provided a detailed description of the possible binding groups present in the biosorbents, as carboxylic groups (D-glucuronic and pyruvic acids), hydroxyl groups (cellulose, agar and floridean starch) and sulfonate groups (sulphated galactans). Potentiometric acid-base titrations showed a heterogeneous distribution of two major binding groups, carboxyl and hydroxyl, following the quasi-Gaussian affinity constant distribution suggested by Sips, which permitted to estimate the maximum amount of acid functional groups (0.36, 0.25 and 0.1 mmol g{sup -1}) and proton binding parameters (pK{sup '}{sub H}=5.0,5.3and4.4;m{sub H} = 0.43, 0.37, 0.33), respectively for algae Gelidium, algal waste and composite material. A non-ideal, semi-empirical, thermodynamically consistent (NICCA) isotherm fitted better ...
Crystalline silicotitanate inorganic ion exchanger, with a sitinakite structure is candidate material for remediation of aqueous nuclear waste streams. The syntheses of crystalline silicotitanate (CST) and Nb-substituted crystalline silcotitanate (Nb-CST) were carried out under hydrothermal conditions and the products were characterized using techniques viz., XRD, SEM/EDS, DTA/TGA, surface area respectively. Batch experiments were carried out to study the kinetics of uptake of 137Cs and 90Sr, to estimate the decontamination factor (DF) values and distribution coefficients (K d) for the above synthesized CST and Nb-CST samples from actual radioactive waste solutions. The DF values for uptake of Cs and Sr by Nb-CST after 24?h of equilibration was 355 and 136 whereas for CST it was found to b...
A study has been made of the passive film remaining over pits on stainless steel using a high resolution transmission electron microscope. Type 305 stainless steel was passivated in a borate buffer solution and pitted in ferric chloride. Passive films formed at 0.2 V relative to a saturated calomel electrode were found to be amorphous. Films formed at higher potentials showed only broad diffraction rings. The passive film was found to cover a remnant lacy structure formed over pits passivated at 0.8 V. The metallic strands of the lace were roughly hemitubular in shape with the curved surface facing the center of the pit.
Free form fabrication and high resolution imaging techniques enable the creation of biomimetic tissue engineering scaffolds. A 3D CAD model of canine trabecular bone was produced via micro CT and exported to a fused deposition modeler, to produce polybutylene terephthalate (PBT) trabeculated scaffolds and four other scaffold groups of varying pore structures. The five scaffold groups were divided into subgroups (n=6) and compression tested at two load rates (49?N/s and 294?N/s). Two groups were soaked in a 25??C saline solution for 7?days before compression testing. Micro CT was used to compare porosity, connectivity density, and trabecular separation of each scaffold type to a canine trabecular bone sample. At 49?N/s the dry trabecular scaffolds had a compressive stiffness of 4.94?1.19?MP...
By means of ab-initio electronic structure calculation and one-dimensional Boltzmann transport equation solution, we investigate the size dependent thermoelectric (TE) properties of n-type ZnO nanowires (NWs) and surface passivation effects. As demonstrated by our calculations, largest figure of merit ZT achievable in thin NWs is larger than that in wide NWs, whereas being restrained by higher demand of n-type doping. Moreover, bare NWs are superior in TE application comparing with the passivated. To compete with conventional TE materials, lattice thermal conductivity of ZnO NWs should be at least 2 orders of magnitude lower than bulk value.
Different cooling speeds after previous solution annealing at 1130deg C for 0.5 hour were simulated in laboratory experiments. The following conditions were examined: (1) Direct water quenching, (2) cooling in air for 0.5 min to 950deg C/water quenching, (3) cooling in air for 1.5 min to 750deg C/water quenching, (4) cooling in furnace for 5 min to 750deg C/water quenching. The results of the investigations have shown that a variation of the cooling conditions causes considerable changes in the creep behaviour. (orig.).
In 1996 the actions of EDF in the domain of environment have recorded FF 4 billions (FF 3.5 billion in 1995), representing about 2% of the EDF's turnover. The EDF keeps on its efforts for reducing the impact of its activities upon environment. Several applications of an environment protective electricity generation are promoted by the company. The company brings services and technical solutions to its clients which meet their energy needs and conserving at the same time the life conditions. Furthermore, EDF participates in the activity of numerous national and international organisms, intervening in the environmental questions, in decision making, participating in studies and actions and following continually the direction of a durable economic and social development. The report is structured in three chapters: 1. an industrial responsibility; 2. services and techniques for environment; 3. action towards a durable development.
A novel thin-film composite polyamide nanofiltration membrane was prepared through interfacial polymerization of polymeric polyamine polyvinylamine (PVAm) with isophthaloyl chloride (IPC) on a polysulfone supporting film. The composite membranes were prepared under different conditions and characterized in terms of chemical and morphological structures, surface zeta potential, pure water permeability, and rejection to different solutes including electrolytes and sucrose. The results showed that the membrane performance was significantly affected by the content of amine units of PVAm and the concentrations of PVAm and IPC. The increase of the content of amine units of PVAm and the concentration of IPC resulted in an augment in salt rejection and a decrease in permeability, while the increas...
The age hardening behavior of Al-4.5%Cu alloy composite reinforced with zircon sand particulates and produced by stir casting route has been investigated in different quenching media viz, water, oil, and salt brine solution (7wt%). Optical microscopy of the as cast alloy composite indicates that the matrix of the composite has the cellular structure. Copper rich CuAl2 precipitates have been found near particle matrix interface. The results of ageing demonstrate that the microhardness of age hardenable Al-Cu based alloy composites depend on the quenching medium in which they are heat treated. Salt brine quenching is faster as compared to water and oil, even if higher strength is obtained but cannot be used for complex shapes and thin sections where oil quenching is the alternative due to mi...
The influence of selenium dioxide (SeO2) on the microstructure and electrodeposition of manganese coatings obtained from a sulfate based neutral solution was investigated by material characterization methods and electrochemical techniques. The crystal structure and surface morphology of these coatings were studied by scanning electron microscopy (SEM) and powder X-ray diffraction spectroscopy (XRD), respectively. The SEM and XRD data showed that SeO2 could effectively accelerate phase transformation, and facilitate leveled and fine grain growth. The electrochemical results indicated that SeO2 could inhibit hydrogen evolution reaction and promote manganese deposition. The action of selenium dioxide in manganese deposition was found to be a reduction and adsorption mechanism. The process cou...
A widely used veterinary antibiotic, tetracycline (TC), has been incorporated in Langmuir-Blodgett (LB) films of dipalmitoylphosphatidic acid (DPPA) by means of two different procedures: co-transfer and incubation in solution. The resulting structures were characterized by means of contact angle and ellipsometric measurements. The presence of the antibiotic in the phospholipid film was evidenced by means of UV-Vis electronic absorption and infrared vibrational spectroscopy. The two sets of measurements unambiguously indicated the presence of the drug in the LB layer films obtained with both methods, although incubation led to a smaller content of immobilized tetracycline. In both cases, the drug was found to reside in the hydrophilic portion of the layers due to specific interactions of the dimethylamino group of the molecule with the polar head groups of the phospholipid.
Indium sulfide thin films consisting of porous network of nanoplatelets, have been deposited using chemical bath deposition (CBD) method onto the tin-doped indium oxide (ITO) coated glass substrate. Aqueous solutions of indium sulfate and thioacetamide have been used as indium and sulfur precursors. As a complexing agent, acetic acid was used. The chemically deposited indium sulfide thin films were examined for their structural, surface morphological and optical characterizations. The X-ray diffraction analysis revealed the formation of the cubic b-In2S3 onto the substrate. From scanning electron micrograph, it is observed that the surface of substrate is covered by nanoporous platelets type morphology. The optical studies showed a direct band gap of 2.84eV for indium sulfide platelets. Ph...
Passive films formed on stainless steels in a borate buffer solution (pH 9.2) have been investigated by capacitance measurements and photoelectrochemistry. The study was carried out on films formed on AISI type 304 and 316 stainless steels and high purity alloys with differing chromium, nickel, and molybdenum contents. Complementary research by Auger analysis shows that the passive films are composed essentially of an inner chromium region in contact with the metallic substrate and an outer iron oxide region developed at the film/electrolyte interface. The semiconducting properties of the passive films are determined by those of the constituent chromium and iron oxides which are of p-type and n-type, respectively. Thus the influence of the alloying elements on the semiconducting properties of the passive films is explained by changes in the electronic structure of each of these two oxide regions.
Various chemical, physical, and mechanical methods to prevent unwanted deposition of mineral scale are described. The suitability of the different methods, which largely depends on the specific features and requirements of the system involved, is discussed. Special emphasis is placed upon the threshold treatment, where the growth process is retarded by the addition of trace amounts of growth inhibitors. Growth experiments have been performed on barium sulfate and calcium sulfate dihydrate seed crystals, suspended in a supersaturated solution with and without organic bisphosphonates as inhibitors. Two methods are selected for the analysis of the growth data. A degree of inhibition is defined to obtain a quantitative description of the influence of a growth inhibitor on the growth rate of the crystals. In addition the influence of the molecular structure of various bisphosphonates with different substituents is shown. The effect of a ...
The paper deals with the reliability-based design optimization (RBDO) of a riser support installed on a floating production storage and offloading (FPSO) unit under operation, extreme, damaged, and one line failure cases and installation loading conditions. The optimization problem is formulated such that probabilistic thickness variables described with random characteristics are determined by minimizing the weight of the riser support structure subjected to stress constraints for the given target reliability. The initial design model is generated based on actual FPSO riser support specifications. The finite element analysis is conducted using NASTRAN, and the probabilistic optimal solutions are obtained via the moving least squares method in the context of RBDO using a response surface me...
A generalized relativistic harmonic oscillator for spin 1/2 particles is studied. The Dirac Hamiltonian contains a scalar, $S$, and a vector, $V$, quadratic potentials in the radial coordinate, as well as a tensor potential, $U$, linear in $r$. Setting either or both combinations $\\Sigma=S+V$ and $% \\Delta=V-S$ to zero, analytical solutions for bound states of the corresponding Dirac equations are found. The eigenenergies and wave functions are presented and particular cases are discussed, devoting a special attention to the non-relativistic limit and the case $\\Sigma=0$, for which pseudospin symmetry is exact. We also show that the case $U=\\Delta=0$ is the most natural generalization of the non-relativistic harmonic oscillator. The radial node structure of the Dirac spinor is studied for several combinations of harmonic oscillator potentials, and that study allows us to explain why nuclear intruder levels cannot be described in the ...
A great deal of studies of the Pu metal dissolution by mineral acids have been made /1-3/. Hydrochloric acid was shown to provide the most complete and fastest dissolution /1-2/. The majority of studies describes the use of HNO_3-HF or HNO_3 with reducing or oxidizing agents present for this purpose /4/. But these methods are not quite adequate because of an extreme corrosiveness of the acids and a high cost of structural materials. That is why a search for more reliable and safer process is still in progress. The HNO_3-HCOOH method of dissolving has been investigated. Some physical-chemical properties of formic acid as well as regulations on its use are presented in /5-8/. (author).
Stainless steels can get pitting corrosion in halide containing solution, which make them a big risk in industrial production. Many investigations were made in the past in order to understand processes involved in pitting corrosion, pit initiation and pit growth. Results about the influence of alloying elements, their contents, the state of the structure, the condition of the surface, the content of chloride, the temperature, the pH-value, the velocity of flow and of the oxidizer on the chloride induced pitting corrosion of passive stainless steels are presented. Electrochemical measurements and the application of surface analytical methods (SEM, SAM, XPS) with high lateral resolution are carried out. A part of the samples received a diffusion annealing in order to obtain reproducible results. Pitting Resistance Equivalents (PRE) - Pitting Index - with different multipliers are given and discussed critical. An electrochemical method for ...
The objective of this paper is to give an overview on the seismic evaluation and retrofitting procedures of reinforced concrete buildings within JICA technical cooperation project in Romania. The content of the paper covers a) an outline of the seismic evaluation; history and comparison of Romanian seismic design codes with the Japanese seismic evaluation guidelines, b) an outline of the retrofitting techniques which were transferred from Japan to Romania and structural tests for retrofitting techniques employed in Romania and c) retrofitting details that were used by JICA/NCSRR in the retrofitting design of two vulnerable buildings in Bucharest. The above-mentioned retrofitting projects are now under development of detailed design and therefore, in the near future, refining and improvement of solutions will be performed. (authors)
Upon irradiation of aqueous ethylene glycol/water solutions of native chloroperoxidase (CPO) with {sup 60}Co-gamma rays at 77K one observes the one-electron reduction of the enzyme active site by radiolytically generated thermolyzed electrons. In the present study the first absorption spectrum of a low-spin ferrous form of CPO is reported which has peaks at 438, 532 and 563 nm, similar to those observed previously for cytochrome P-450. All previously described ferrous forms of CPO are high spin. In order to observe the final results of the CPO reaction with electrons, the spectral changes of native enzyme after room temperature-gamma-irradiation have also been investigated. Evidence of changes is also presented probably connected with disruption of the tertiary structure of enzyme, correlated with decrease of enzyme activity.
Upon irradiation of aqueous ethylene glycol/water solutions of native chloroperoxidase (CPO) with "6"0Co-gamma rays at 77K one observes the one-electron reduction of the enzyme active site by radiolytically generated thermolyzed electrons. In the present study the first absorption spectrum of a low-spin ferrous form of CPO is reported which has peaks at 438, 532 and 563 nm, similar to those observed previously for cytochrome P-450. All previously described ferrous forms of CPO are high spin. In order to observe the final results of the CPO reaction with electrons, the spectral changes of native enzyme after room temperature-gamma-irradiation have also been investigated. Evidence of changes is also presented probably connected with disruption of the tertiary structure of enzyme, correlated with decrease of enzyme activity.
The Eady problem of baroclinic instability as applicable to quasi-geostrophic oceanic flows with zero internal PV gradients is revisited by introducing a mild slope and Ekman pumping on the lower boundary. The solution behaviour is determined by the isopycnal slope relative to either the bottom slope or the ratio of Ekman depth to horizontal wavenumber. Attention is paid to the physical interpretation of the growing, decaying and stable disturbances, with emphasis on the intimate connection between the quasigeostrophic edge waves and Eady waves, and the role of the isopycnal slope for the stability properties as opposed to the bottom density gradient. The disturbance structure is found to be strongly influenced by the boundary conditions. For a sloping bottom boundary, the growth rate is enhanced for the most unstable waves if the isopycnals tilt in the same direction as the bottom, but in general non-standard boundary conditions tend to retard ...
The solid solutions Eu(Ir_1_-_xPd_x)_2Si_2, which exist for 0#<=#x#<=#0.125 and 0.75#<=#x#<=#1, cristallize with the tetragonal ThCr_2Si_2-type structure. The variation of the europium valence with composition has been thoroughly studied at temperatures 4.2#<=#T#<=#293 K by "1"5"1Eu Moessbauer resonance. For 0#<=#x#<=#0.125 the europium valence at room temperature decreases as x increases. For 0.75#<=#x#<=#1 the valence transition temperature Eu"3"+#->#Eu"2"+ increases as x increases. (orig.).
Nitridation of Cr-bearing alloys can yield low interfacial contact resistance (ICR), electrically conductive and corrosion-resistant CrN or Cr2N base surfaces of interest for a range of electrochemical devices, including fuel cells, batteries, and sensors. This paper presents results of exploratory studies of the nitridation of commercially available, high Cr (30-35wt%) Ni-Cr alloys and a ferritic high Cr (29wt%) stainless steel for proton exchange membrane fuel cell (PEMFC) bipolar plates. A high degree of corrosion resistance in sulfuric acid solutions designed to simulate bipolar plate conditions and low ICR values were achieved. Oxygen impurities in the nitriding environment were observed to play a significant role in the nitrided surface structures that formed, with detrimental effect...
Strong gravitational lensing of an extended object is described by a mapping from source to image coordinates that is nonlinear and cannot generally be inverted analytically. Determining the structure of the source intensity distribution also requires a description of the blurring effect due to a point spread function. This initial study uses an iterative gravitational lens modeling scheme based on the semilinear method to determine the linear parameters (source intensity profile) of a strongly lensed system. Our 'matrix-free' approach avoids construction of the lens and blurring operators while retaining the least squares formulation of the problem. The parameters of an analytical lens model are found through nonlinear optimization by an advanced genetic algorithm (GA) and particle swarm optimizer (PSO). These global optimization routines are designed to explore the parameter space thoroughly, mapping model degeneracies in detail. We develop a novel method that ...
The EXAFS-study (Fe, Sn and Ge K-edges) of disordered by mechanical activation binary supersaturated nanocrystalline solid solutions Fe-Al, Fe-Ge, Fe-Sn and Fe-Si is presented. The EXAFS-spectra are processed by solving the inverse binary problem, using the EXAFS-spectrum of the Fe K-edge only or combining the EXAFS-spectra on two K-edges, Fe and Ge or Fe and Sn. The parameters of partial correlation functions indicate chemical short-range ordering, high local static distortions in the lattice, increasing with metalloid content. The macrostructure of other type is forming through an initial, 'local' stage within the bcc lattice.
A ternary nickel-base alloy Ni-W-B has been developed for surface corrosion and wear resistance to replace chromium plating, which uses environmentally hazardous solutions. The deposition conditions used an alkaline bath and insoluble anodes. The as-deposited alloy typically contains 40 wt% W and 1 wt% B and has an amorphous or partially amorphous structure. These deposits compare favorably with hexavalent chromium deposits in throwing power, color uniformity, and reflectivity. The corrosion resistance of Ni-W-B alloy was compared with hexavalent chromium and electroless nickel deposits in a variety of acids, including hydrochloric, sulfuric, fluoroboric, and phosphoric. In all cases, best results were obtained with the Ni-W-B deposits.
In the paper results of the investigation on the effect of microstructure on room temperature tensile properties and fracture toughness of two-phase #alpha#+#beta# titanium alloy Ti-6Al-2Mo-2Cr have been presented. Microstructure has been varied by changes in the cooling rate from the solution treatment temperature and aging time and temperature. Mechanical properties examined show dependence on the treatment conditions, especially aging conditions. It has been attributed mainly to the amount and morphology of #alpha# phase obtained after heat treatment. The higher volume fraction of lamellar #alpha# structure, the higher fracture toughness. (author)
Emeraldine base (EB) polymer?ZnO nanoparticles composite films has been synthesized by solution casting technique on ITO-coated glass substrate and characterized by XRD, FTIR and TEM for their structure and morphology. Dielectric behaviour of these composite films has been investigated in the very low frequency region to medium frequency region (1?kHz?1?MHz). The dielectric constant of the composite with 30% nanoparticles is almost one-tenth of the pure EB. The dielectric value becomes constant in the frequency region greater than 400?kHz. The change in dielectric behaviour of the composite is explained on the basis of multilayered interface formed between the ZnO nanoparticles and emeraldine chains. Nanoparticles have high energy surface which is responsible for the decrease of free volum...
A mechanism is proposed for the previously observed [1] jump in erythrocyte fluidity through a microcapillary 1.3 ?m in diameter at a temperature of 36.6?0.3?C. Our interpretation is based on the experimental evidence both for existence of ortho and para H2O isomers in water and on spin-selective interaction of proteins with para H2O isomers as hydration shells of biomolecules are being formed [2]. It is important that the formation of hydration shells of proteins and DNA in aqueous solutions is accompanied by an increase in the Brillouin shift to 0.4 cm?1 (?0.25 cm?1 in water), which points to the formation of icelike structures. We believe that the coincidence of the translational energy kT of the Brownian motion and the energy of the rotational quanta for the 313?202 transition of para ...
A novel single-step synthetic method for the preparation of anatase N-doped TiO"2 nanocrystalline at low temperature has been devoleped. The N-doped anatase TiO"2 nanoparticles were synthesized by sonication of the solution of tetraisopropyl titanium and urea in water and isopropyl alcohol at 80^oC for 150min. The as-prepared sample was characterized by X-ray diffraction, transmission electron microscopy, X-ray photoelectron spectroscopy and UV-vis absorption spectrum. The product structure depends on the reaction temperature and reaction time. The photocatalytic activity of the as-prepared photocatalyst was evaluated via the photodegradation of an azo dye direct sky blue 5B. The results show that the N-doped TiO"2 nanocrystalline prepared via sonication exhibit an excellent photocatalytic...
In the CERN approach to the design of a neutrino factory, the repetition frequency of the proton beam is high enough to consider stationary solid targets as a viable solution for multi-MW beams. The target consists of high density tantalum spheres of 2 mm diameter which can efficiently be cooled by passing a high mass flow He-gas stream through the voids between the Ta-granules. Very small thermal shocks and stresses will arise in this fine grained structure due to the relatively long burst of 3.3 ms from the SPL-proton linac. In a quadruple target system where each target receives only one quarter of the total beam power of 4 MW, conservative temperature levels and adequate lifetimes of the target are estimated in its very high radiation environment. A conceptual design of the integration of the target into the magnetic horn-pion-collector is presented.
Full text of publication follows: Energy and environment are two major concerns in our modern society due to the coming shortage in fossil energy sources and the growing of greenhouse gas emissions. The challenge for the coming years is to discover new energy resources and to develop devices that are compatible with a sustainable development and generate few (or zero) emission. One of these devices is the fuel cell feed by hydrogen, whose application fields are very large. In particular, the proton exchange membrane fuel cell (PEMFC) is the most realistic device for automotive application. However, hydrogen storage remains one of the most important challenges regarding its development. Although different techniques are available for storing hydrogen, no ideal solution has been found yet. Compression needs elaborated tanks in shape for supporting high pressures, liquefaction requires an expensive hydrogen cooling and adapted tanks. Chemical storage by hydrides ...
Full text of publication follows: Energy and environment are two major concerns in our modern society due to the coming shortage in fossil energy sources and the growing of greenhouse gas emissions. The challenge for the coming years is to discover new energy resources and to develop devices that are compatible with a sustainable development and generate few (or zero) emission. One of these devices is the fuel cell feed by hydrogen, whose application fields are very large. In particular, the proton exchange membrane fuel cell (PEMFC) is the most realistic device for automotive application. However, hydrogen storage remains one of the most important challenges regarding its development. Although different techniques are available for storing hydrogen, no ideal solution has been found yet. Compression needs elaborated tanks in shape for supporting high pressures, liquefaction requires an expensive hydrogen cooling and adapted tanks. Chemical storage by hydrides ...
The effects of D-amino acids at Asp"2"3 and Ser"2"6 residues on the conformational preference of #beta#-amyloid (A#beta#) peptide fragment (A#beta#_2_0_-_2_9) have been studied using different spectroscopic techniques, namely vibrational circular dichroism (VCD), vibrational absorption, and electronic circular dichroism. To study the structure of the A#beta#_2_0_-_2_9, [D-Asp"2"3]A#beta#_2_0_-_2_9, and [D-Ser"2"6]A#beta#_2_0_-_2_9 peptides under different conditions, the spectra were measured in 10 mM acetate buffer (pH 3) and in 2,2,2-trifluoroethanol (TFE). The spectroscopic results indicated that at pH 3, A#beta#_2_0_-_2_9 peptide takes random coil with #beta#-turn structure, while [D-Ser"2"6]A#beta#_2_0_-_2_9 peptide adopts significant amount of polyproline II (PPII) type structure along with #beta#-turn contribution and D-Asp-substituted peptide ([D-Asp"2"3]A#beta#_2_0_-_2_9) adopts predominantly PPII type ...
The difficulty in making good Ohmic contact at the interfaces with p-doped ZnSe is an important problem hindering the realization of blue-light-emitting diode lasers based on the II-VI semiconductor technology. So far no metal or semiconductor material has been found to have a low enough barrier at the (001) interface with ZnSe. A possible solution to this problem is the insertion of a so-called {ital barrier-reduction layer} at the interface with ZnSe. We have investigated the interface formation energies and valence-band offsets at the (001) interface between Al{sub x}Ga{sub 0.5{minus}x}In{sub 0.5}P and ZnSe. The results of our calculations show the existence of a strong interdependence between the valence-band offset and the interface geometric structure. The interface is found to have structural and electronic similarities to the GaAs-ZnSe(001) system. The very low values obtained for the valence-band offset confirm the ...
This paper is the first of a series which describes the Enrichment Diagnostic System (EDS) developed for the MARS project at Lawrence Livermore National Laboratory. Although EDS was developed for use on AVLIS, the functional requirements, overall design, and specific techniques are applicable to any experimental data acquisition system involving large quantities of transient data. In particular this paper will discuss the techniques and equipment used to do the data acquisition. Included are what types of hardware are used and how that hardware (CAMAC, digital oscilloscopes) is interfaced to the HP computers. In this discussion the author will address the problems encountered and the solutions used, as well as the performance of the instrument/computer interfaces. The second topic the author will discuss is how the acquired data is associated to graphics and analysis portions of EDS through efficient real time data bases. This discussion will include how the ...
Tremendous progress in the science of extrasolar planets has been achieved since the discovery of a Jupiter orbiting the nearby Sun-like star 51 Pegasi in 1995. Theoretical models have now reached enough maturity to predict the characteristic properties of these new worlds, mass, radius, atmospheric signatures, and can be confronted with available observations. We review our current knowledge of the physical properties of exoplanets, internal structure and composition, atmospheric signatures, including expected biosignatures for exo-Earth planets, evolution, and the impact of tidal interaction and stellar irradiation on these properties for the short-period planets. We discuss the most recent theoretical achievements in the field and the still pending questions. We critically analyze the different solutions suggested to explain abnormally large radii of a significant fraction of transiting exoplanets. Special attention is devoted to the ...
Electrodeposition of semiconducting iron oxide (Fe_2O_3) thin film was carried out from an alkaline sulphate bath. A 0.1 M ferrous sulphate (FeSO_4#centre dot#7H_2O) was complexed with 0.1 M citric acid. By addition of 1 N NaOH, pH of the solution was made alkaline (pH=9) and deposition of iron oxide (Fe_2O_3) thin films was carried out potentiostatically at room temperature (300 K). From cyclic voltametry (CV), electrochemical studies were carried out for deposition of iron oxide thin films. The XRD studies reveal that Fe_2O_3 with epsilon (#epsilon#) phase having monoclinic crystal structure is formed. By observing scanning electron microscope (SEM), it is seen that iron oxide films were homogeneous, uniform and well covered to surface of the substrate. Grain size was found to be in nanometers range from XRD analysis. The optical band gap of Fe_2O_3 thin film was estimated to be 1.90 eV. Electrical resistivity was order of 10"4 #OMEGA# cm. ...
Abstract A series of compounds with the general formula (La1-xSmx)2Ti2O7 (0-- x --1.0) has been synthesized by a sol-gel method and characterized by XRD, Raman spectroscopy, and scanning electron microscopy (SEM). These compounds are structurally isomorphic to perovskite-type La2Ti2O7 until a substitution rate of x = 0.8. Above this substitution rate (x >-0.8), a biphasic mixture is obtained between the substituted perovskite layered phase and the pyrochlore Sm2Ti2O7 phase. The unusual phosphor (La1-xSmx)2Ti2O7 has been elaborated and its luminescent properties were investigated for low rates of substitution. The emission and excitation spectra were used to study the luminescent properties. The (La1.9Sm0.1)2Ti2O7 powders emit bright red-orange lightunder UV excitation. The emission propert...
Concerning the coal liquefaction research under way at the National Institute for Resources and Development, its purpose, contents, achievements, problems, future tasks, etc., are recapitulated. At the meeting, the coal liquefaction research is explained and discussed. Study tours are conducted to a liquefaction plant site, hydrolytic liquefaction facilities, and liquefaction facilities involving ultra-strong acid. Explanations are given on sub-themes of research in and after fiscal 1992 and the future prospects, and discussion is held on general matters. Various views and opinions are expressed by the committee members. Some ask what the chemical structure of coal is and what the model substance that represents coal is. Another insists that basic research on coal structure and reactivity be reconstructed. Those whose goal is to put the technology to practical use express their opinions that a clear position be given the liquefaction technology ...
(1-x)(Na0.5K0.5)NbO3-xAgSbO3 lead-free piezoelectric ceramics were prepared by normal sintering. The effects of the AgSbO3 on the phase structure and piezoelectric properties of the ceramics were systematically studied. These results show that the AgSbO3-modified (K0.50Na0.50)NbO3 lead-free piezoelectric ceramics form stable solution with orthorhombic structure, and the Curie temperature and the polymorphic phase transition of the ceramics decreased with increasing AgSbO3. The result shows that the piezoelectric properties of the ceramics strongly depend on the AgSbO3. The ceramics with x=0.05 possess optimum properties (d33=192 pC/N, kp=43%, Tc=348degreeC, To-t=145degreeC, ?r632, and tan d3.5%). These results indicate that the ceramic is a promising candidate material for lead-free piezoe...
The European demonstration project Hip Hip (house integrated photovoltaic high-tech in public) led the French photovoltaic market to reach a level comparable to those of the other European countries in terms of relevance of implemented solutions and costs. This document presents the best realizations and the experience gained through the Hip Hip project. Its aim is to convince the designers and managers of building projects of the advantages of photovoltaic installations integrated to the structure and connected to the power distribution grid: 1 - presentation of the technology; 2 - status of the Hip Hip demonstration project (goals, results: main innovations and impact on the French market); 3 - different possibilities of integration to the building structure; 4 - examples of projects realized in France in the framework of the Hip Hip project: integration in glass roof, frontage, added elements, fitting on roofs. (J.S.)
A novel visible light sensitive photocatalyst, AgSbO3 was prepared by a conventional solid-state reaction method. This oxide belonging to a cubic-pyrochlore structure can absorb visible light with wavelength up to about 480nm. From the band structure calculation, we found that the top of the valence band consists of the hybridized Ag 4d and O 2p orbitals and the bottom of the conduction band mainly consists of the Ag 5s and the Sb 5s orbitals. Photocatalytic activities were evaluated using O2 evolution from an aqueous silver nitrate solution and decomposition of gaseous 2-propanol under visible light irradiation. We found that AgSbO3 shows a higher O2 evolution activity than WO3 and 2-propanol can be mineralized by the AgSbO3 photocatalysis under visible light irradiation.
Within the framework of a study on the chemical wear behaviour of sialon ceramics a range of compositions were prepared in which the alumina content was varied from 6 to 77 weight percent. The materials were hot-pressed from alumina and silicon nitride powders to a density of at least 97%. The structure and compositions of the phases occurring in these samples i.e. the O' phase, #beta#'-sialon solid solution and especially the X-phase were thoroughly characterized with respect to structure and composition using electron microprobe and transmission electron microscopy techniques. These results will be discussed in the light of earlier phase diagram studies. Some basic properties such as E-modulus and toughness were measured and related to microstructural features. E-modulus as well as toughness are at a minimum for materials with a high content of the X-phase. Oxidation of the materials was studied at 1300 deg C and 1450 deg ...
S-Adenosylmethionine decarboxylase (AdoMetDC) is a critical enzyme in the polyamine biosynthetic pathway and depends on a pyruvoyl group for the decarboxylation process. The crystal structures of the enzyme with various inhibitors at the active site have shown that the adenine base of the ligands adopts an unusual syn conformation when bound to the enzyme. To determine whether compounds that favor the syn conformation in solution would be more potent AdoMetDC inhibitors, several series of AdoMet substrate analogues with a variety of substituents at the 8-position of adenine were synthesized and analyzed for their ability to inhibit hAdoMetDC. The biochemical analysis indicated that an 8-methyl substituent resulted in more potent inhibitors, yet most other 8-substitutions provided no benefit over the parent compound. To understand these results, we used computational modeling and X-ray crystallography to study C{sup 8}-substituted adenine ...
Nanocrystalline Fe75Si20M5 (M = Al, B and Cr) powders were synthesized by mechanical alloying in a planetary ball mill from high purity elemental powders. Evolution of non-equilibrium solid solutions of ?-Fe[Si,(Al, B, Cr)] with a nanocrystalline structure was accompanied by the introduction of a large number of dislocation defects in the course of the milling process. Fe sites get substituted by Si and M (M = Al, B, Cr) atoms during the milling process. The structural change and the resulting disorder are reflected in the changes in the lattice parameter and average magnetic moment of the powders milled for various time periods. The effective magnetic anisotropy increases linearly with the milling time. An increase in coercivity with increasing milling time was observed which could be attributed to the introduction of dislocations and the reduction in the powder particle size during milling. The presence of dislocations ...
Transmission electron microscopy studies on solution-annealed Alloy 800 revealed small (100-200 nm), spherical-shaped titanium carbide (face centered cubic structure) and large (200 nm-5 {mu}m), faceted titanium nitride (hexagonal structure) particles randomly distributed in the austenite matrix. The volume fraction of former particles was found to be greater than that of the latter. Corrosion studies of the alloy in acidic, chlorides and acidic chloride environments at room temperature indicated that the passivity of Alloy 800 was adversely affected by the addition Cl{sup -} ions. X-ray photoelectron spectroscopy revealed that the surface film formed on the alloy at the onset of passivity consisted of Cr{sup 3+} (as Cr{sub 2}O{sub 3}), without any Fe{sup 3+}/Fe{sup 2+} or Ni{sup 2+}. Scanning electron microscopy studies indicated initiation of pitting at large, faceted particles, not at small, spherical-shaped ones.
An analysis of the passive films formed on amorphous alloys of the system Fe-10% Cr-5% Mo-P-metalloid and Fe-10% Cr-5% Mo-B-Si revealed that they are more markedly enriched with chromium in silicon-free alloys. In silicon-containing amorphous alloys the passive films were highly enriched with silicon, which occurred in these films in the form of a corrosion product close to SiO/sub 2/. As shown by the investigations of a study of the anodic behavior of Fe/sub 40/Ni/sub 40/P/sub 14/B/sub 6/ and Fe/sub 40/Ni/sub 38/Mo/sub 4/B/sub 18/, phosphorus facilitates the passivation of amorphous alloys by reducing the solution current in the active state and enriching the surface layers of the metal in the form of a black prepassivation film which also contains nickel and iron. The behavior of Fe-Ni amorphous alloys containing only boron as metalloid additive differs little from that of crystalline alloys of similar composition but without the boron. The authors note that in ...
An analysis of the passive films formed on amorphous alloys of the system Fe-10% Cr-5% Mo-P-metalloid and Fe-10% Cr-5% Mo-B-Si revealed that they are more markedly enriched with chromium in silicon-free alloys. In silicon-containing amorphous alloys the passive films were highly enriched with silicon, which occurred in these films in the form of a corrosion product close to SiO_2. As shown by the investigations of a study of the anodic behavior of Fe_4_0Ni_4_0P_1_4B_6 and Fe_4_0Ni_3_8Mo_4B_1_8, phosphorus facilitates the passivation of amorphous alloys by reducing the solution current in the active state and enriching the surface layers of the metal in the form of a black prepassivation film which also contains nickel and iron. The behavior of Fe-Ni amorphous alloys containing only boron as metalloid additive differs little from that of crystalline alloys of similar composition but without the boron. The authors note that in this survey they have considered the ...
Electronic properties of passive films formed on Fe at various applied potentials in pH 8.5 buffer solution were examined through the photocurrent measurement and impedance spectroscopy. Passive film formed on Fe at relatively low potentials was found to be r-FeOOH layer and internal r-Fe{sub 2}O{sub 3} layer. However, the r-FeOOH layer became unstable and disappeared at potentials below 400mV and hence may be an adsorbed layer. An electronic band structure model for the passive film of Fe was suggested on the basis of the spinel band model with involving two types of electronic excitation processes, i. e., the p-d and the d-d transition together. The effects of applied potential on the photocurrent behaviors of the passive film on Fe were explained appropriately by separating the photocurrent spectra depending on the transition type. The Mott-Schottky behavior for the passive film on Fe and the photocurrent variation with applied potential ...
Human complement protein C9 is shown to be a metalloprotein that binds 1 mol of Ca"2"+/mol of C9 with a dissociation constant of 3 #mu#m as measured by equilibrium dialysis. Incubation with EDTA removes the bound calcium, resulting in a apoprotein with decreased thermal stability. This loss in stability leads to aggregation and, therefore, to loss of hemolytic activity upon heating to a few degrees above the physiological temperature. Heat-induced aggregation of apoC9 can be prevented by salts that stabilize proteins according to the Hofmeister series of lyotropic ions, suggesting that the ion in native C9 may ligand with more than one structural element of domain of the protein. Ligand blotting indicates that the calcium binding site is located in the amino-terminal half of the protein. Removal of calcium by inclusion of EDTA in assay mixtures has no effect on the hemolytic activity of C9, and its capacity to bind to C8 in solution, or to ...
Alkaline fuel cells (AFCs) provide a less corrosive environment and can provide higher electrode reaction kinetics than proton exchange membrane fuel cells (PEMFCs). The alkaline media also allows for the replacement of platinum (Pt) based electrocatalysts with non-Pt electrocatalysts. Studies have shown that palladium (Pd) and silver (Ag) form a homogenous solid solution with a face-centred cubic structure within a large range of temperatures. This study described the results of an oxygen reduction reaction (ORR) on lead-silver (Pd-Ag) alloy electrodes in alkaline media. The reaction was compared with Pd and Ag electrodes. The alloys were synthesized as thin films using a sequential electroless deposition of Pd and Ag on stainless steel discs followed by an annealing procedure in an Ar stream. X-ray diffraction (XRD), scanning electron microscopy (SEM) and energy dispersive spectroscopy (EDS) were used to characterize catalyst ...
Electrospun nanofibers composed of biodegradable polymers are attractive candidates for cell culture scaffolds in tissue engineering. Their fine-meshed structures, resembling natural extracellular matrices, effectively interact with cell surfaces and promote cell proliferation. The application of electrospinning, however, is limited to two-dimensional (2D) or single tube-like scaffolds, and the fabrication of arbitrary three-dimensional (3D) scaffolds from electrospun nanofibers is still very difficult due to the fibers' continuous and entangled form. To address this issue, in this paper, we describe the use of phase-separation-assisted electrospray and electrostatic focusing to perform continuous direct 3D patterning of nanofibrous microcapsules of biodegradable polylactic acid (PLA). These microcapsules exhibit fiber-particle duality because they are composed of nanofibers suitable for cell attachment while also being easy to handle as particles for direct 3D ...
Modern text retrieval systems often provide a similarity search utility, that allows the user to find efficiently a fixed number k of documents in the data set that are most similar to a given query (here a query is either a simple sequence of keywords or the identifier of a full document found in previous searches that is considered of interest). We consider the case of a textual database made of semi-structured documents. Each field, in turns, is modelled with a specific vector space. The problem is more complex when we also allow each such vector space to have an associated user-defined dynamic weight that influences its contribution to the overall dynamic aggregated and weighted similarity. This dynamic problem has been tackled in a recent paper by Singitham et al. in in VLDB 2004. Their proposed solution, which we take as baseline, is a variant of the cluster-pruning technique that has the potential for scaling to very large corpora of ...
The dodecanuclear rhenium anionic complex with terminal hydroxo ligands [Re12CS17(OH)6]6? was obtained by the reaction of K6[Re12CS17(CN)6]?20H2O with molten KOH at 300 ?C. The cluster complex was crystallized as a potassium salt from aqueous solution. The reaction between K6[Re12CS17(OH)6]?4H2O and Na2S2O4 in water under reflux results in the formation of the complex Na12[Re12CS17(SO3)6]?48.5H2O. Both new compounds were characterized by single-crystal X-ray diffraction, elemental analyses and IR spectroscopy. The electronic structure of [Re12CS17(OH)6]6? was also elucidated by DFT calculation
The crystal structure and phonon densities of states (DOS) of #beta#'-SiAlON ceramics, Si_6_-_zAl_zO"zN_8_-_z (0 #<=# z #<=# 4), prepared by a novel slipcast method, are studied by neutron-scattering techniques. The samples with z < 4 form a single-phase solid solution of Si-Al-O-N isostructural to #beta#-Si_3N_4 (space group P6_3/m). A consistent preferential occupation of the 2c sites by oxygen atoms and the 6h sites by nitrogen atoms exists within this structure. The phonon DOS of #beta#'-SiAlON displays phonon bands at #approx#50 and 115 meV. These features are considerably broader than the corresponding ones in #beta#-Si_3N_4 powder.
Components of various forest and agricultural residue biomass-including the polyphenolic compounds-were converted into aqueous solution and/or suspension by extraction and digestion. Some biomass components reacted vigorously under alkaline catalysis with formaldehyde and initially showed a high degree of exothermic reaction; however, other components did not react as vigorously under these conditions, indicating that different biomass materials require different methods to obtain optimum reactivity for the copolymerization with phenol. Our primary goal is to develop adhesives capable of producing acceptable bond quality, as determined by the wood products industries` standards, under a reasonable range of gluing conditions. Copolymer resins of phenol, formaldehyde, and biomass components were synthesized and evaluated for gluability of bonding exterior grade structural replaced with chemicals derived from peanut hulls, pecan shell flour, pecan ...
In the past ten years, significant research effort was invested in audio browsers, programs able to decode the structure of Web pages and put them into an audio format. Few advanced browsers use machine learning algorithms to classify objects on the Web page and learn browsing behaviors, have multimodal input and outputs and are able to synchronize between the graphical and audio modalities to interact with the Web page. The disadvantages of these audio browsers include the necessity of a high computation power since the user's machine has to decode the structure of the Web page, and, therefore, making impossible the installation of such programs on mobile devices. In this paper, we propose a simpler and more efficient solution for the creation of a multimodal application. We developed a middleware that automatically annotates Web pages with VoiceXML generated from the content of the Web page. Using our system, the user can ...
Power plant components exposed to environments such as water and soil are susceptible to severe corrosion. Many times the effect of corrosion in power plant components can be catastrophic. The problem is aggravated for underground pipelines due to additional factors such as large network of pipelines, proximity to earth mat, high voltage transmission lines, corrosive chemicals, inadequate approach etc. Other components such as condenser water boxes, internals of pipelines, clarifier bridge structures, cooling water inlet gates and pipes etc. which are in continuous contact with water, are subjected to severe corrosion. The nature and locations of all such components are at places which are not accessible for routine maintenance and hence they require long term reliable protection against corrosion. Experience has shown that anti-corrosive coatings are inadequate in preventing corrosion and due to their location regular maintenance coatings are also not feasible. ...
This article provides a survey of neutron scattering experiments in condensed matter research, which are of interest to chemistry. The theoretical background has been treated in a previous issue. The present article consists of two parts. The first part exhibits the range of experimental possibilities by means of a few selected examples. The starting point is classical neutron diffraction by which the position of atomic nuclei may be determined. Additional information on the spatial distribution in the outer electron shells may be obtained via combined X-ray/neutron-diffraction experiments or via the diffraction of polarized neutrons. Progress in instrumentation, due to the development of more intense sources, has influenced especially the fields of small angle scattering and spectroscopy. The second part features domains of research of current interest, where a combination of several neutron scattering techniques may prove to be necessary. Thus, the kinetics of ...
As part of efforts to develop improved methods for NMR protein sample preparation and structure determination, the Northeast Structural Genomics Consortium (NESG) has implemented an NMR screening pipeline for protein target selection, construct optimization, and buffer optimization, incorporating efficient microscale NMR screening of proteins using a micro-cryoprobe. The process is feasible because the newest generation probe requires only small amounts of protein, typically 30-200 ?g in 8-35 ?l volume. Extensive automation has been made possible by the combination of database tools, mechanization of key process steps, and the use of a micro-cryoprobe that gives excellent data while requiring little optimization and manual setup. In this perspective, we describe the overall process used by the NESG for screening NMR samples as part of a sample optimization process, assessing optimal construct design and solution conditions, ...
Information is presented concerning solute concentration in a porous layer; solute concentration in a packed crevice; corrosion of a packed carbon steel crevice in NaCl-O"2 solutions; and effect of copper on corrosion in NaCl-O"2 solutions.
The authors are developing MP-TOUGH2 for exploiting massively parallel computers. The goals of this effort are to (1) create a data-parallel subsurface transport code for solving larger problems than currently practical on workstations, (2) write portable code that can take advantage of scalability to run on machines with more processors, and (3) minimize the necessity for additional validation and verification of the resulting code. The initial strategy they have followed is to focus on optimizing the generic and time-consuming task of linear equation solution while leaving the bulk of TOUGH2 unmodified. In so doing, they have implemented a massively parallel direct solver (MPDS) that takes advantage of the banded structure of TOUGH2 Jacobian matrices. The authors have compared timings of the iterative conjugate gradient solvers DSLUBC, DSLUCS, and DSLUGM written in Fortran77 for the front end with the MPDS which uses the data parallel unit. ...
Alloy 600 is used as a material for steam generator tubing in pressurized water reactors(PWR) due to its high corrosion resistance under PWR environment. In spite of its corrosion resistance, stress corrosion cracking(SCC) has occurred on the primary side as well as the secondary side of the tubing. Oxide on steel surfaces in aqueous solution above 100 .deg. C is composed of duplex film structure. Inner layer of the oxide is dense and less porous, which is formed by growth of oxide layer on metal surface. Outer layer of the oxide is loose adhesive, which is formed by dissolution precipitation mechanism. Growth processes occur at the metal/oxide and oxide/electrolyte interfaces and are controlled by transport of the layer forming species through the layer, i.e. by the inward diffusion of oxygen including electrolyte species and the outward diffusion of metal cations. Understanding of basic electrochemical behaviors about anodic dissolution and ...
Novice problem solvers are rather sensitive to surface problem features, and they often resort to trial and error formula matching rather than identifying an appropriate solution approach. These observations have been interpreted to imply that novices structure their knowledge according to surface features rather than according to problem type categories. However, it may also be the case that novices do know problem types, but cannot map the problem at hand to a known type, because they fail to create a sufficiently well-elaborated problem representation. This study aims to distinguish between these explanations. In this study novice physics students at high and low levels of proficiency completed two problem-sorting tasks from the domain of electricity and magnetism, one with and one without elaboration support. Results confirm that these students do distinguish problem types in accordance with their required solution ...
Description of courses, curriculum and degree program. "Ceramic and materials engineers design, develop, and participate in the manufacture of both standard and new materials intended for use in a wide variety of industries with diverse applications. These range from the semi-conductor to the aerospace and finally to the traditional ceramics industry. The broad scope of industrial responsibilities handled by ceramic and materials engineers requires knowledge in mathematics, science, engineering, and the social sciences, skills in problem solving, engineering analysis, design, and written and oral communication. The baccalaureate program integrates laboratory with classroom experiences to prepare students for life-long learning. Courses covering thermodynamics, kinetics, mechanical behavior, processing and characterization of materials prepare students for careers in industry and/or for graduate school. Clemson University baccalaureate graduates in Ceramic and Materials Engineering, ...
Microwave assisted extraction (MAE) is a combination of a microwave technique and conventional solvent extraction used in the modernization of traditional Chinese medicine. The effective component of medicinal herbs is mostly cellular material which can be released via solvent extraction. The material is diffused to solvents via the porous membrane wall. The structure of herb morphology and characteristics of the solute's molecular weight play an important role in the extraction process of target compounds. Astragalus pieces were chosen for this study in which an ultra-filtration membrane method was used to determine the molecular weight distribution characteristics of Astragalus water extraction liquid in the process of MAE. The fine structure of matrix materials was also characterized by scanning election microscopy (SEM). The phenomenon of mass flow and mass transfer in the plant porous media was discussed along ...
The entrapment of proteins using the sol-gel route provides a means to retain its native properties and artificially reproduce the molecular crowding and confinement experienced by proteins in the cell allowing investigation of the physico-chemical and structural properties of biomolecules at the biotic/abiotic interface. The biomolecules are spatially separated and 'caged' in the gel structure but solutes can freely permeate the matrix. Thus, properties such as the folding of ensembles of individual molecules can be examined in the absence of aggregation effects that can occur in solution studies. Green fluorescent protein from Aequorea coerulescens was used as a model protein to examine the unfolding/re-folding properties of protein in silica gels. The recombinant protein was isolated and purified from Escherichia coli extracts by cell lysis, three-phase partitioning, dialysis, and ...
Suspension direct current plasma spraying allows achieving finely structured coatings whose thickness is between few tens and few hundreds of micrometres. Drops (200-300 ?m in diameter) or liquid jets are mechanically injected in the plasma jet. With radial injection they are rapidly (a few ?s) fragmented into droplets (a few ?m in diameter). The latter are vaporized (in a few ?s) and the solid particles contained in suspension droplets are accelerated and melted by the plasma jet. As in conventional plasma spraying (CPS), much smaller splats (with diameters between 0.2 and 3 ?m and thicknesses between 30 and 200 nm) are arranged in layers up to form the coating. The low inertia of particles requires spray distances between 40 and 60 mm which induces plasma heat fluxes up to 22 MW m-2 participating in coating densification. Even more than in CPS, the plasma jet fluctuations, particularly for plasmas containing di-atomic gases, perturb drops penetration and ...
The nanocrystallization process of amorphous Fe_7_3_._5Si_1_3_._5B_9Nb_3Cu_1 was investigated by active screen plasma nitriding (ASPN) treatment at temperatures ranging from 410 "oC to 560 "oC for 3 h in two gas mixtures of 75% N_2-25% H_2 and 25% N_2-75% H_2 at 5 mbar atmosphere. The amorphous ribbons were then annealed under vacuum at the same time and temperatures mentioned above. The structure of the samples was analyzed using various techniques such as X-ray diffraction (XRD), atomic force microscopy (AFM) and differential scanning calorimetry (DSC). Microhardness measurements, electrical resistivity and Vibrating Sample Magnetometer (VSM) were used to study mechanical, electrical and magnetic properties of the samples, respectively. It was observed that the ASPN treatment leads to finer grain size and higher crystalline volume fraction and modifies the structural features of Fe(Si) phase. The Fe(Si) lattice parameter for the nitrided ...
The organization of organic semiconductor molecules in the active layer of organic electronic devices has important consequences to overall device performance. This is due to the fact that molecular organization directly affects charge carrier mobility of the material. Organic field-effect transistor (OFET) performance is driven by high charge carrier mobility while bulk heterojunction (BHJ) solar cells require balanced hole and electron transport. By investigating the properties and device performance of three structural variations of the fluorenyl hexa-peri-hexabenzocoronene (FHBC) material, the importance of molecular organization to device performance was highlighted. It is clear from {sup 1}H NMR and 2D wide-angle X-ray scattering (2D WAXS) experiments that the sterically demanding 9,9-dioctylfluorene groups are preventing {pi}-{pi} intermolecular contact in the hexakis-substituted FHBC 4. For bis-substituted FHBC compounds 5 and 6, {pi}-{pi} intermolecular ...
Growing public and political interests towards incorporating passive safety features in nuclear installations, let Siempelkamp in late 1987 propose a solution consisting of a prestressed cast-iron pressure vessel and a passive heat removal system, integrated in the reactor cell surrounding the vessel. This solution combines the inherent safety of a prestressed metallic pressure vessel with the advantages of a passive heat removal system and thus constitutes a major step towards the goal of further reducing potential residual risks. The design had to meet the boundary conditions for reactor core and reactor building of the modular 200 MWth pebble bed reactor of Siemens/-KWU. The engineering design showed that many input parameters needed for the finite-element-analysis of the overall structure required a verification by measurements in a well scaled test setup. This was especially required for the heat transfer from the ...
The primary objective of this task was to perform a variability study of the high activity waste (HAW) acidic feed to determine the impact of feed variability on the quality of the final grout and on the mixability of the salt solution into the dry powders. The HAW acidic feeds were processed through the neutralization/pH process, targeting a final pH of 12. These fluids were then blended with the dry materials to make the final waste forms. A secondary objective was to determine if elemental substitution for cost prohibitive or toxic elements in the simulant affects the mixing response, thus providing a more economical simulant for use in full scale tests. Though not an objective, the HAW simulant used in the full scale tests was also tested and compared to the results from this task. A statistically designed test matrix was developed based on the maximum molarity inputs used to make the acidic solutions. The maximum molarity inputs were: 7.39 ...
Solution and dilution enthalpies of aqueous solutions of potassium diclofenac salt (K_DC) were measured by an isoperibolic calorimeter at 298.15 and 318.5?K. Heat capacities of the solutions with concentrations 0.002?0.09?mol?kg?1 were obtained at the temperature interval of 288.15?318.15?K using a scanning adiabatic microcalorimeter. The virial coefficients were derived from Pitzer?s model, and the excess thermodynamic functions of both the solvent and the solute of the solution were calculated. The concentration and temperature dependencies of thermodynamic characteristics of the solution were analyzed and discussed.
Neurodegeneration observed in Alzheimer disease (AD) is believed to be related to the toxicity from reactive oxygen species (ROS) produced in the brain by the amyloid-{beta} (A{beta}) protein bound primarily to copper ions. The evidence for an oxidative stress role of A{beta}-Cu redox chemistry is still incomplete. Details of the copper binding site in A{beta} may be critical to the etiology of AD. Here we present the structure determined by combining x-ray absorption spectroscopy (XAS) and density functional theory analysis of A{beta} peptides complexed with Cu{sup 2+} in solution under a range of buffer conditions. Phosphate-buffered saline buffer salt (NaCl) concentration does not affect the high-affinity copper binding mode but alters the second coordination sphere. The XAS spectra for truncated and full-length A{beta}-Cu{sup 2+} peptides are similar. The novel distorted six-coordinated (3N3O) geometry around copper in the A{beta}-Cu{sup ...
New platinum(II) complexes with asymmetrically substituted chiral diamine ligands A{sub 2}PtX{sub 2}, (A{sub 2}=NH{sub 2}CH(CH{sub 3})CH{sub 2}NH(c-C{sub 5}H{sub 9}) (apcpa), NH{sub 2}CH(CH{sub 3})CH{sub 2}NH(c-C{sub 6}H{sub 11}) (apcha); X{sub 2}=2Cl, isopropylidenmalonate (IPM), 1,1'-cyclobutandicarboxylate (CBDCA) have been synthesized and characterized by means of elemental analyses, infrared and NMR spectroscopies, and X-ray crystallography. The crystal structures of (S-apcha)Pt[CBDCA]{center_dot}3H{sub 2}O (orthorhombic, P2{sub 1}2{sub 1}2(No. 18), a=6.926(3), b=15.243(3), c=19.319(4) A, V=2039.5(10) A{sup 3}, Z=4, R=0.072) and (S-apcha)Pt[IPM]{center_dot}2.5H{sub 2}O (monoclinic, P2/c(No. 13), a=9.882(1), b=18.502(1), c=22.056(1) A, V=4032.8(5) A{sup 3}, Z=8, R=0.093) exhibit that the platinum atoms achieve a typical square planar arrangement with two nitrogen atoms in cis position and with the chiral center retained. The spectroscopic data disclose ...
In this work, ZnO thin films have been grown on glass substrates by using a solution of propanol (C{sub 3}H{sub 8}O), water (H{sub 2}O) and zinc acetate (Z{sub n}(CH{sub 3}CO{sub 2}){sub 2}) in acidified medium (pH 5). The obtained films were n doped with ytterbium (Yb) at the rates of 100, 200 and 300 ppm. The structural features of the doped films were investigated using XRD, atomic force microscopy and scanning electronic microscopy techniques. XRD analysis shows a strong (0 0 2) X-ray diffraction line for increasing Yb-doping amounts. This c-axis preferential orientation of ZnO crystallites is naturally required to use this oxide as transparent conductor in optoelectronic applications. Atomic force microscopy (AFM) analysis shows an enhancement in the surface roughness of the doped ZnO:Yb thin films. Optical measurements were performed in 300-1800 nm domain via transmittance T(lambda) and reflectance R(lambda) spectra. Conjoint optical and ...
In this work, ZnO thin films have been grown on glass substrates by using a solution of propanol (C3H8O), water (H2O) and zinc acetate (Zn(CH3CO2)2) in acidified medium (pH 5). The obtained films were n doped with ytterbium (Yb) at the rates of 100, 200 and 300 ppm. The structural features of the doped films were investigated using XRD, atomic force microscopy and scanning electronic microscopy techniques. XRD analysis shows a strong (0 0 2) X-ray diffraction line for increasing Yb-doping amounts. This c-axis preferential orientation of ZnO crystallites is naturally required to use this oxide as transparent conductor in optoelectronic applications. Atomic force microscopy (AFM) analysis shows an enhancement in the surface roughness of the doped ZnO:Yb thin films. Optical measurements were performed in 300-1800 nm domain via transmittance T(?) and reflectance R(?) spectra. Conjoint optical and thermal properties were deduced from the optical ...
This study focuses on a series of Pt{sup II}(L-L{prime})(dppm){sup n+} complexes, where dppm is bis(diphenylphosphino)methane and L-L{prime} are C(caret)C{prime} (n = 0), C(caret)N (n = 1), and N(caret)N{prime} (n = 2) aromatic ligands. Structural characteristics are reported. Structural features indicate that the Pt-C bond distance is shorter than the Pt-N bond distance in symmetrical complexes and that the Pt-P bond distance trans to N is shorter than the Pt-P bond trans to C. This is consistent with the {sup 31}P NMR spectra where the chemical shift of the P trans to C is {approximately}10 ppm less than found for P trans to N. The energy maxima of the metal-to-ligand charge-transfer band for the complexes containing various L-L{prime} ligands occur in the near-UV region of the spectrum and fall into the energy series bpy > bph > phen > 2-phpy > 2-ptpy > 2-phq > 7,9-bzq, where bpy is ...
The development of the microstructure on aging of an (#alpha# + #beta#) type titanium alloy containing 6Al-1.6Zr-3.3Mo-0.3Si (VT9) (in weight percent) has been studied. The #beta#-transus temperature of this alloy is approximately 1243 K. Solution treatment in the #beta#-phase field of the alloy followed by quenching in water at room temperature resulted in the formation of a single-phase martensite structure. The martensitic structure was confirmed to be orthorhombic (#alpha# double-prime) using X-ray diffraction. The water-quenched (WQ) specimens were subjected to aging treatments at temperatures of 823, 873, and 973 K for various lengths of time. Aging at 823 K for times between 24 and 100 hours did not bring about any noticeable change in the microstructure. Aging at 823 K for 200 and 300 hours resulted in the heterogeneous precipitation of s_2 silicide particles and thin films of #beta# sandwiched between the ...
In situ scanning tunneling microscopy has been used to study the nucleation and growth mechanisms and the structure of passive films formed on Cu(111) surfaces in 0.1 M borate buffer solution (pH 9.3). A surface topography characterized by terraces with monoatomic steps is obtained after potentiodynamic reduction down to {minus}1.12 V/standard hydrogen electrode (SHE), of the electropolished surface exposed to air. The formation of a single Cu{sub 2}O passive layer at 0.03 V/SHE proceeds first by a roughening of the steps assigned to a locally blocked step flow process due to a competition between dissolution and preferential nucleation of the oxide at the steps. The observed oxide nuclei are 2--3 nm wide and about one atomic plane high. This process leads to the complete coverage of the terraces by a grain-like structure of the oxide film. The initial terrace topography is completely altered. Thickening of this oxide layer ...
Mono-dispersed cubic CeO{sub 2} nanoparticles have been synthesized using a surfactant-assisted method with laurylamine hydrochloride and cerium alkoxide modified with acetylacetone in an aqueous solution system. The prepared cubic CeO{sub 2} nanoparticles had a highly crystallized structure at 353 K and formed rod-like structures by calcination at 673 K after freeze-drying the CeO{sub 2} gel. We discovered a clear potential to make 1D, 2D or 3D CeO{sub 2}-materials with a well-controlled characteristic length and shape by assembling cubic-shaped CeO{sub 2} nanoparticle building blocks. CeO{sub 2}-TiO{sub 2} composite nanostructures have also been synthesized by changing the mole ratio of cerium alkoxide/titanium alkoxides. By utilizing the redox characteristic of CeO{sub 2}, CeO{sub 2} nanoparticles and CeO{sub 2}-TiO{sub 2} composite nanostructures after calcination, showed reaction activity toward the oxidization of ...
Culex mosquitoes introduce the pathogens responsible for filariasis, West Nile virus, St. Louis encephalitis, and other diseases into humans. Currently, traps baited with oviposition semiochemicals play an important role in detection efforts and could provide an environmentally friendly approach to controlling their populations. The odorant binding proteins (OBPs) in the female's antenna play a crucial, if yet imperfectly understood, role in sensing oviposition cues. Here, we report the X-ray crystallography and NMR 3D structures of OBP1 for Culex quinquefasciatus (CquiOBP1) bound to an oviposition pheromone (5R,6S)-6-acetoxy-5-hexadecanolide (MOP). In both studies, CquiOBP1 had the same overall six-helix structure seen in other insect OBPs, but a detailed analysis revealed an important previously undescribed feature. There are two models for OBP-mediated signal transduction: (i) direct release of the pheromone from an internal binding ...
The first-principles energetics of the constituent elements Ca and Mg and the Mg_2Ca C14 laves phase (C14) in the Ca-Mg binary system were used in the computational thermodynamic modeling, with models for the Gibbs energy of individual phases. C14 was modeled as (Ca,Mg)_2(Ca,Mg)_1 with four end-members. The first-principles calculations were performed using two computer codes: (i) WIEN2K based on the full-potential linearized augmented plane-wave (FLAPW) method and (ii) VASP based on the pseudo-potentials and a plane wave basis set. The total energies of the pure Ca and Mg in the fcc, bcc, and hcp structures, three laves phase structures of Mg_2Ca, and the four end-members of C14 were calculated at 0 K. The enthalpies of formation of the four end-members were obtained accordingly and used as input data in evaluating the Gibbs energy functions of C14. The entropy contribution in the Gibbs energy function for C14 was obtained through its liquidus ...
A process for the generation of halogens from halide-containing solutions includes the step of conducting electrolysis of the solutions in an electrolytic cell having a platinum based amorphous metal alloy anode.
Interfacial tension at the aqueous solution of di-2-ethylhexylphosphoric acid or its copper salts/water solutions has been measured by the drop volume method.
The parmbsc0 force field was applied to study in detail the binding of netropsin, at a salt concentration of 0.28M Na^+, to the minor groove of an 8-mer (5'CCAATTGG)2 DNA duplex forming a netropsin.DNA complex which previously has been characterized by X-ray crystallography, albeit with the use of closely related DNA duplexes. The X-ray structure revealed that the terminal guanidinium and amidinium groups of netropsin interact with the extreme ends of the palindromic AATT sequence of the receptor DNA. The parmbsc0 parameters of B-DNA and AMBER v9 parameters of netropsin generated a stable 6ns molecular dynamics (MD) trajectory for a 1:1 class I binding motif of this complex. Trajectory analysis for the salt and hydration effects on the binding of netropsin to the 8-mer DNA duplex revealed ...
Stress corrosion cracking tests in constant extension rate tensile (CERT) and constant load tensile (CLT) tests were conducted on Ni-xCr- 9Fe-yC in Ar, water, and a LiOH-boric acid solution. Cr and C improve the resistance of Ni-base alloys to IG cracking in both Ar and water at 360C. Since creep plays a role in IG cracking, one possible explanation for the role of the environment involves its effect on the creep. Experiments were conducted on the role of C in the deformation behavior and failure mode of Ni-16Cr-9Fe. Constant load experiments were conducted on Ni-16Cr-9Fe to determine if the CLT test is more aggressive than CERT. The electron backscattering technique in a SEM is being developed in order to extend the IG cracking studies to grain sizes typical of commercial alloys, 20-30 microns.
Stress corrosion cracking tests in constant extension rate tensile (CERT) and constant load tensile (CLT) tests were conducted on Ni-xCr- 9Fe-yC in Ar, water, and a LiOH-boric acid solution. Cr and C improve the resistance of Ni-base alloys to IG cracking in both Ar and water at 360C. Since creep plays a role in IG cracking, one possible explanation for the role of the environment involves its effect on the creep. Experiments were conducted on the role of C in the deformation behavior and failure mode of Ni-16Cr-9Fe. Constant load experiments were conducted on Ni-16Cr-9Fe to determine if the CLT test is more aggressive than CERT. The electron backscattering technique in a SEM is being developed in order to extend the IG cracking studies to grain sizes typical of commercial alloys, 20-30 microns.
This work presents a comparative study of low-alloy steel nitriding for different possible techniques. Active screen plasma nitriding (ASPN) is a successful surface modification method that has many advantages over the conventional DC plasma nitriding (CPN). The corrosion behavior of 30CrNiMo8 low-alloy steel has been examined using anodic polarization tests in 3.5% NaCl solution under varying conditions of ASPN and CPN processes. The process variables included active screen setup parameters, treatment temperature (550 and 580 deg. C), gas mixture (25/75 and 75/25 of N{sub 2}/H{sub 2}) and treatment time (5 and 10 h) in 500 Pa pressure. The structure and phases composition of the compound layer was studied by X-ray diffraction (XRD), microhardness tests, optical microscopy and scanning electron microscopy (SEM). It was observed that ASPN treated samples surface enhanced corrosion resistance while the temperature and/or hole size of screen setup ...
This work presents a comparative study of low-alloy steel nitriding for different possible techniques. Active screen plasma nitriding (ASPN) is a successful surface modification method that has many advantages over the conventional DC plasma nitriding (CPN). The corrosion behavior of 30CrNiMo8 low-alloy steel has been examined using anodic polarization tests in 3.5% NaCl solution under varying conditions of ASPN and CPN processes. The process variables included active screen setup parameters, treatment temperature (550 and 580 deg. C), gas mixture (25/75 and 75/25 of N_2/H_2) and treatment time (5 and 10 h) in 500 Pa pressure. The structure and phases composition of the compound layer was studied by X-ray diffraction (XRD), microhardness tests, optical microscopy and scanning electron microscopy (SEM). It was observed that ASPN treated samples surface enhanced corrosion resistance while the temperature and/or hole size of screen setup ...
In the contribution under consideration, the author reports on the energy resources as a conflict factor and co-operation factor in East Asia on the basis of the Spratly islands. The main aspects of this contribution are: topography of the Spratly islands; history and actual claims; evaluation of the claims; strategic significance of the islands; resources of oil and natural gas as a conflict factor; resources of oil and natural gas as a co-operation factor. The resources of oil and natural gas have intensified the conflict around the Spratly islands in the last few decades. Due to the unsettled situation relating to international law six countries could claim the potentially energy-rich area having a geo-strategic instrument of power. Due to a treaty and due to the new common research studies of the neighbouring countries a phase of stability can be expected. The increasing involvement of China in the international economic structures suggests a military ...
We have performed multicanonical Monte Carlo simulations of C-peptide of ribonuclease A. It is known by CD and NMR experiments that this peptide has high alpha-helix content in aqueous solution and that the side-chain charges of residues Glu-2$^-$ and His-12$^+$ play an important role in the stability of the alpha-helix. In order to confirm these experimental implications, we have used two analogues of the peptide with charged and neutral side chains of Glu-2 and His-12. Two dielectric functions, distance-dependent and constant, are considered to study the effects of solvent contributions. All the simulations were started from random initial conformations. Various thermodynamic quantities such as average helicity as a function of residue number and average distance between two side chains as a function of temperature are calculated. The results are found to be in accord with the implications of CD and NMR experiments. The lowest-energy conformation obtained has an ...
Reaction between [V^I^VO(acac)2] and the ONN donor Schiff base Hpydx-aepy (I) (Hpydx-aepy=Schiff base obtained by the condensation of pyridoxal and 2-aminoethylpyridine) resulted in the formation of a complex [V^I^VO(acac)(pydx-aepy)] (1). Addition of aqueous 30% H2O2 to 1 yields the poor stable oxidoperoxidovanadium(V) complex [V^VO(O2)(pydx-aepy)] (2). Its formation has also been demonstrated in solution by treating 1 with H2O2 in methanol. Reaction of vanadium exchanged zeolite-Y with I in methanol followed by aerial oxidation gave zeolite-Y encapsulated dioxidovanadium(V) complex, abbreviated as [V^VO2(pydx-aepy)]-Y (4). The crystal and molecular structure of 1 has been determined, confirming the ONN binding mode of the ligand. The encapsulated complex [V^VO2(pydx-aepy)]-Y (4) catalyse...
The distribution of Cu, Ni, Co and Mn between an aqueous solution of constant ionic strength and Versatic Acid 911 diluted with benzene was investigated. Only one extracted species of Cu was revealed to have a dimeric structure of the composition (CuR_2.RH)_2, while both monomer and dimer were found in the extraction of Ni, Co and Mn. The curve-fitting method was employed to determine these species, from which the composition of the extracted species was found to be NiR_2.4RH and (NiR_2.2RH)_2, CoR_2.4RH and (CoR_2.2RH)_2, and MnR_2.4RH and (MnR_2.2RH)_2, respectively. The apparent equilibrium constants of the above species and those between monomer and dimer were also determined. The curve-fitting method was proved to be a precise method for determining the equilibrium constants and extracted species. (author).
Using a series of polycations synthesized by atom transfer radical polymerization (ATRP), we investigate the effects of the polymer charge density and hydrophobicity on salt-induced interdiffusion of polymer layers within polyelectrolyte multilayer (PEM) films. Polycations with two distinct hydrophobicities and various quaternization degrees (QPDMA and QPDEA) were derived from parent polymers of matched molecular weights poly(2-(dimethylamino)ethyl methacrylate) (PDMA) and poly(2-(diethylamino)ethyl methacrylate) (PDEA) by quaternization with either methyl or ethyl sulfate. Multilayers of these polycations with polystyrene sulfonate (PSS) were assembled in low-salt conditions, and annealed in NaCl solutions to induce layer intermixing. As revealed by neutron reflectometry (NR), polycations with lower charge density resulted in a faster decay of film structure with distance from the substrate. Interestingly, when comparing polymer mobility in ...
The control of nitrogen oxides (NO{sub x}) emissions will become a major challenge in the forthcoming years, in the domain of automotive industry or industrial burners. Pulsed combustion offers an imaginative solution which does not affect the combustion efficiency. In this paper, the efficiency of this method is demonstrated using the burner of a 20 kW domestic boiler. The actuator is simply installed on the air intake. Two types of actuators have been tested successfully: a loudspeaker and a rotative valve. Both can produce 100 to 1000 Hz frequencies and can lead to a reduction of 20% of NO{sub x} emissions. The feasibility of the concept is also demonstrated on a 840 kW liquid fuel-oil burner. The mechanisms involved during an excitation are explained using the CH{sup *} radical imaging. Results show an important reorganization of the flow and of the flame structure. During each excitation cycle, an annular swirl occurs at the leading edge ...
Current bioartificial extra-corporeal systems are bioreactors where cells are separated from the surrounding media by porous polymeric membranes. The present work focuses on the design of membranes that allow the differential diffusion of plasma metabolites and proteins such as immunoglobulin (IgG). This design will improve catabolites removal and reduce possible immune response and virus infection. We demonstrate the feasibility to synthesize the hydrogels confined to the macroporous structure of membranes by radiation-induced in situ polymerization. The hollow-fiber membranes were soaked in aqueous monomeric solution, rinsed and irradiated while submerged in oil. This procedure confined the hydrogel to the void internal volume of the pores of the membrane. Hydrogels of polyacrylamide and polyHEMA were synthesized this way by irradiation at 10 kGy. Hydraulic permeability and diffusion of glucose, albumin and IgG were measured in these ...
The world fusion program has advanced to the stage where it is appropriate to construct a number of devices for the purpose of burning DT fuel. In these next-generation experiments, the expected flux and fluence of 14 MeV neutrons and associated gamma rays will pose a significant challenge to the operation and diagnostics of the fusion device. Radiation effects include structural damage to materials such as vacuum windows and seals, modifications to electrical properties such as electrical conductivity and dielectric strength and impaired optical properties such as reduced transparency and luminescence of windows and fiber optics during irradiation. In preparation for construction and operation of these new facilities, the fusion diagnostics community needs to work with materials scientists to develop a better understanding of radiation effects, and to undertake a testing program aimed at developing workable solutions for this multi-faceted ...
Recent interest in ecologically sustainable design (ESD) has once more focussed attention upon environmental management in buildings. This paper explores the application of both air conditioning and natural ventilation in creating more sustainable non-residential buildings. In the non-residential sector the level of debate surrounding sustainable forms of environmental control and management has been disappointing. It has largely been based upon the rather simplistic argument that air conditioning is bad and natural ventilation is good and thus the only sustainable solution is naturally ventilated buildings. The paper advances the view that for both designers and managers of buildings the problem is more complex than a simple choice between air conditioning and natural ventilation. It begins with a reassessment of conventional ideas of thermal comfort and the organization of the workplace and argues that a paradigm shift is necessary to couple the architectural ...
Commercial development of oil shale resources will produce vast quantities of processed shale waste. The presence of potentially toxic trace elements, inorganic salts, and potentially toxic residual organic constitutents make the disposal of vast quantities of processed shale a potential environmental problem. To be environmentally acceptable, processed shale disposal must: result in a physically stable structure, prevent or minimize release of potentially toxic compounds, and provide an economically acceptable post-land use. Water is the common element underlying all factors important to the environmental stability of disposed solid waste. The leaching and transport of solubles by water in processed shale embankments may result in degradation of local surface and groundwater quality. The major purpose of this research is to physically model, study, and describe the redistribution and movement of water and percolates in lifts of disposed processed oil shale under ...
A variety of platinum(II) complexes of methimazole (2-mercapto-1-methylimidazole; HImS=neutral form and ImS=thiolate form), coordinated in both thione and thiolate forms, have been isolated by reacting methimazole with [PtCl(terpy)]Cl (terpy=2,2prime:6prime,2Prime terpyridine), [PtCl2(bipy)] (bipy=bipyridine), [PtCl2(o-phen)] (o-phen=o-phenanthroline), [PtCl2(CH3CN)2] and [PtCl2(COD)] (COD=1,5-cyclooctadiene). These complexes were characterized by electronic absorption, IR and NMR (1H, 13C, 195Pt) spectroscopies. Molecular structure of [Pt(bipy)(HImS)2]Cl23H2O (3a3H2O) has been established by single crystal X-ray crystallography. Platinum thiolate complex, [Pt(ImS)2(HImS)2] (5), could be obtained by treatment of [Pt(HImS)4]Cl2 with sodium methoxide in methanol. The solution of 5 in organic...
...Ludwig's Applied Process Design for Chemical and Petrochemical Plants, 4th Edition - EA BOOKS nomographs, data charts and heuristics. About us | My EA Books | Contact us | Authors Home page Feature Books Books DVDs eBooks EA Books Publications Merchandise eJournals Terms and Conditions Subjects Chemical & Process Civil Computers Electrical & Electronics Environmental Management Mechanical Multi-disciplinary Quality Railways Structural Water Australian Authors Australian Rainfall ... Volume Two focuses on distillation and packed towers, and presents the methods and fundamentals of plant design along with supplemental mechanical and related data, nomographs, data charts and heuristics. The Fourth Edition is significantly expanded and updated, with new topics that ensure readers can analyze problems and find practical design methods and solutions to accomplish their process design objectives. It is a true application-driven book, ...
Mechanisms that govern transport, accumulation and toxicity of persistent pollutants at interfaces in aquatic ecosystems were the foci of this thesis. Specific attention was paid to humic substances, their occurrence, composition, and role in exchange processes across interfaces. It was concluded that: The composition of humic substances in aquatic surface microlayers is different from that of the subsurface water and terrestrial humic matter. Levels of dissolved organic carbon (DOC) in the aquatic surface microlayer reflect the DOC levels in the subsurface water. While the levels and enrichment of DOC in the microlayer generally show small variations, the levels and enrichment of particulate organic carbon (POC) vary to a great extent. Similarities exist between aquatic surface films, artificial semi-permeable and biological membranes regarding their structure and functioning. Acidification and liming of freshwater ecosystems affect DOC:POC ratio and humic ...
Vanadium doped manganese bi-oxide has been obtained from a solution containing both cations. The X-ray diffraction of this material indicates a rutile-type phase but the enlargement of some lines supports the existence of several lattice defects. Also the particle size of the doped material is significantly smaller than the one of the non-doped material obtained in the same conditions. The presence of pentavalent vanadium inside the lattice leads to a small amount of trivalent manganese. Electron microscopy shows the existence of defects which have a tendency of becoming well-ordered and to stabilize a sur-structure. At ambient temperature, the electrochemical behaviour of doped manganese bi-oxide is greatly improved when compared to the non-doped phase. This behaviour is due to the presence of numerous lattice defects and to the smaller size of crystallites. In polymer batteries, the behaviour is similar the one of the non-doped material for ...
Nitridation of Cr-bearing alloys can yield low interfacial contact resistance (ICR), electrically conductive and corrosion-resistant CrN or Cr{sub 2}N base surfaces of interest for a range of electrochemical devices, including fuel cells, batteries, and sensors. This paper presents results of exploratory studies of the nitridation of commercially available, high Cr (30-35 wt%) Ni-Cr alloys and a ferritic high Cr (29 wt%) stainless steel for proton exchange membrane fuel cell (PEMFC) bipolar plates. A high degree of corrosion resistance in sulfuric acid solutions designed to simulate bipolar plate conditions and low ICR values were achieved. Oxygen impurities in the nitriding environment were observed to play a significant role in the nitrided surface structures that formed, with detrimental effects for the Ni-Cr base alloys, but beneficial effects for the stainless steel alloy. Positive results from single-cell fuel cell testing are also ...
Nitridation of Cr-bearing alloys can yield low interfacial contact resistance (ICR), electrically- conductive and corrosion-resistant CrN or Cr2N base surfaces of interest for a range of electrochemical devices, including fuel cells, batteries, and sensors. This paper presents results of exploratory studies of the nitridation of two high Cr (30-35 wt%) commercially available Ni-Cr alloys and a ferritic high Cr (29 wt.%) stainless steel for proton exchange membrane fuel cell (PEMFC) bipolar plates. A high degree of corrosion resistance in sulfuric acid solutions designed to simulate bipolar plate conditions and low ICR values were achieved via nitridation. Oxygen impurities in the nitriding environment were observed to play a significant role in the nitrided surface structures that formed, with detrimental effects for the Ni-Cr base alloys, but beneficial effects for the stainless steel alloy. Results of single-cell fuel cell testing are also ...
The electrochemical method has been used to deposit zinc oxide (ZnO) thin films from aqueous zinc nitrate solution at 80 deg. C onto fluorine doped tin oxide (FTO) coated glass substrates. ZnO thin films were grown between - 0.900 and - 1.025 V vs Ag/AgCl as established by voltammogram. Characterisation of ZnO films was carried out for both as-deposited and annealed films in order to study the effect of annealing. Structural analysis of the ZnO films was performed using X-ray diffraction, which showed polycrystalline films of hexagonal phase with (002) preferential orientation. Atomic force microscopy was used to study the surface morphology. Optical studies identified the bandgap to be {approx} 3.20 eV and refractive index to 2.35. The photoelectrochemical cell signal indicated that the films had n-type electrical conductivity and current-voltage measurements showed the glass/FTO/ZnO/Au devices exhibit rectifying properties. The thickness of ...
Deformation in the overburden proves useful in deducing spatial and temporal changes in the volume of a producing reservoir. Based upon these changes we estimate diffusive travel times associated with the transient flow due to production, and then, as the solution of a linear inverse problem, the effective permeability of the reservoir. An advantage an approach based upon travel times, as opposed to one based upon the amplitude of surface deformation, is that it is much less sensitive to the exact geomechanical properties of the reservoir and overburden. Inequalities constrain the inversion, under the assumption that the fluid production only results in pore volume decreases within the reservoir. We apply the formulation to satellite-based estimates of deformation in the material overlying a thin gas production zone at the Krechba field in Algeria. The peak displacement after three years of gas production is approximately 0.5 cm, overlying the eastern margin of the ...
This paper proposes the application of particle swarm optimization (PSO) to the problem of finite element model (FEM) selection. This problem arises when a choice of the best model for a system has to be made from set of competing models, each developed a priori from engineering judgment. PSO is a population-based stochastic search algorithm inspired by the behaviour of biological entities in nature when they are foraging for resources. Each potentially correct model is represented as a particle that exhibits both individualistic and group behaviour. Each particle moves within the model search space looking for the best solution by updating the parameters values that define it. The most important step in the particle swarm algorithm is the method of representing models which should take into account the number, location and variables of parameters to be updated. One example structural system is used to show the applicability of PSO in finding ...
Three types of titanium hydrides have been reported: #delta#, #epsilon# and #gamma# hydrides. The #delta# hydride forms in the composition range from TiH/sub 1.5/ to TiH/sub 1.99/ and has a CaF/sub 2/ structure with metal atoms on an fcc lattice and hydrogen atoms randomly occupying tetrahedral interstitial sites. At higher hydrogen concentrations, TiH/sub 2/, the fct (c/a # #epsilon# transformation is apparently diffusionless, similar to that operating in the cubic/tetragonal transformation in zirconium hydride. The metastable fct #gamma# hydride having a c/a value of 1.09 or 1.12 forms from solid solutions of hydrogen in the hcp #alpha# matrix. While the titanium hydride precipitation in #alpha#-Ti and its alloys has attracted extensive investigation, hydride formation in bcc #beta#-Ti alloys has rarely been studied because they have not been thought to be liable to hydride formation. This paper shows conclusive evidence for the fcc #delta# ...
Measurements of PEM fuel cell device performance were made with different gas inlet temperatures and relative humidity using a newly-designed test fixture. Significant improvement in device performance was observed when the fuel inlet temperature was increased above the operating temperature of the cell. These measurements were then correlated to a model to describe energy and mass transport processes. Proton exchange membrane (PEM), fuel cells--the focus of this study--use an ion conducting polymer, especially polyperfluorosulfonic acid materials. These polymer materials, when imbibed with water, exhibit solution-like properties, but because the anions are chemically bound to the polymeric structure, the electrolyte is contained. Importantly, product water removal is simplified, as electrolyte dilution is not a concern. However, the proton transport rate is a function of the polymer geometry, which is set, in part, by the polymer water ...
Recognizing the importance of energy as a vital component in economic development, the Taiwanese government has been continuously revising its energy policy, seeking to balance economic development, energy supply, and environmental protection (3E). Some measures, in an attempt to achieve the 3E balance, were previously implemented in Taiwan; nevertheless, some unresolved issues departing from certain core principles of Taiwan's sustainable energy policy and an international initiative for a low carbon society remain. The aim of this paper is to examine the energy supply and demand structure of Taiwan and the present status of individual energy carriers (including coal, petroleum, natural gas and electricity). In addition, it investigates the current energy policy framework and its implementation in Taiwan, identifies unresolved issues regarding sustainable energy development, and formulates key policy solutions for certain identifiable problems ...
An accelerated crucible rotation (ACR) technique was applied to the Bridgman (B) directional solidification of Al-Cu hypoeutectic and eutectic alloys. For Al-4.5% Cu hypoeutectic alloys. The development of dendrites was prevented and the cellular spacing was reduced by forced convection in the ACR-B process. For the Al-CuAl{sub 2} eutectic alloy, maximum rotation rates of 100, 200, 300 and 400 rpm were adopted, and the growth rate R was varied between 5 and 60 {mu}m/s. The results show that the periodic structure related to the crucible rotation periods occurs when the Reynold's number Re > 500, and that the average eutectic spacing decreases with the increase of Re. It is found that the convection increases the temperature gradient in front of the liquid/solid interface and reduces the depth of the concave interface, depending on Re and R. The convection also changes the solute distribution around the tips of the cells or ...
Experimental discussions were given on effect of V and W addition on the high temperature strength properties of 12% Cr-15% Mn austenite steels. The test samples were added with W at 0% to 3.5% and V at 0% to 0.5% in addition to C and N, and were given aging treatment or solution treatment. This paper describes the following matters on the results of high-temperature strength measurements and structural observation: A remarkable trend was observed that M23 Cb type carbides precipitate in the aging treatment, wherein aging hardening appears prominently which is attributable to ultra-fine deposits of vanadium nitride (VN) in the V-added material; the V addition is very effective in increasing the high-temperature tensile strength and creep fracture strength as compared with single W addition, wherein the said carbides that accelerate the precipitation as a result of the V addition make a large contribution, in addition to that by ultra-fine VN ...
In this paper, we consider the prey-dependent consumption predator-prey (natural enemy-pest) models with age structure for the predator, immature and mature natural enemies are released and pesticide is applied impulsively. We prove that, when the impulsive period is no longer than some threshold, the pest-eradication solution is globally asymptotically stable, or say, the pest population can be eradicated totally. But from the point of ecological balance and saving resources, we only need to control the pest population under the economic threshold level instead of eradicating it totally, so we further prove that, when the impulsive period is longer than the threshold, pest population and natural enemy population can coexist, i.e., the system is uniformly permanent. Considering population communities always are imbedded in periodically varying environments, and the parameters in ecosystem models may oscillate simultaneously with the ...
The thermal performance monitoring and optimization system TEMPO is developed at the OECD Halden Reactor Project. The system supports staff of nuclear power plants in identification and correction of problems, which cause small decreases in plant efficiency but which may lead to significant economical losses. The system-wide physical model consists of mathematical description of individual components, such as the reactor, the pumps, the heat exchangers, or the turbines, etc. TEMPO code has recently been extended with new steam generator (SG) models. The present paper summarizes the thermal-hydraulic modelling aspects of the vertical and the horizontal SG. The heat balance equations and their solution are shown with the appropriate initial and boundary conditions. The method of the calculation of the pressure losses are also introduced. The vertical SG model is based on a U-tube structure and treated as a 1D flow channel. The horizontal approach ...
Single crystals of semi-organic L-histidine hydrobromide have been grown by slow evaporation technique from a mixture of L-histidine and hydrobromic acid in aqueous solution at ambient temperature. From high-resolution X-ray diffraction analysis, the crystalline perfection of the grown crystal has been studied. Single crystal X-ray diffraction analyses, Nuclear Magnetic Resonance spectral analysis, Thermo-Gravimetry (TG), Differential Thermal Analysis (DTA) and hardness test have been employed to characterize the as-grown crystals. The UV cutoff wavelength of the grown crystal is below 300 nm and has a wide transparency window, which is suitable for second harmonic generation of laser in the blue region. Nonlinear optical characteristics have been studied using Q switched Nd:YAG laser (#lambda#=1064 nm). The second harmonic generation conversion efficiency of the grown crystals confirms their suitability for frequency conversion applications.
This paper addresses the problem of fair equilibrium selection in graphical games. Our approach is based on the data structure called the {\\em best response policy}, which was proposed by Kearns et al. \\cite{kls} as a way to represent all Nash equilibria of a graphical game. In \\cite{egg}, it was shown that the best response policy has polynomial size as long as the underlying graph is a path. In this paper, we show that if the underlying graph is a bounded-degree tree and the best response policy has polynomial size then there is an efficient algorithm which constructs a Nash equilibrium that guarantees certain payoffs to all participants. Another attractive solution concept is a Nash equilibrium that maximizes the social welfare. We show that, while exactly computing the latter is infeasible (we prove that solving this problem may involve algebraic numbers of an arbitrarily high degree), there exists an FPTAS for finding such an ...
This paper reports that the co-deposition of chromium and silicon into a 2.25Cr-1.0Mo-0.15C steel, alloy 800, and type 304 stainless steel has been achieved using the pack cementation process. The ferritic coating produced on the 2.25 Cr-1.0Mo steel was approximately 225 {mu}m (9 mils) thick, whereas the inward diffusion of chromium and silicon produced a two-phase structure of ferrite and austenite for type 304. Chromium and silicon were incorporated into the austenitic solid solution upon diffusion into alloy 800. All coatings had approximately 25 to 35 wt% Cr and 2 to 3% Si at the surface. Cyclic oxidation testing in air of the coated 2.25Cr-1.0Mo steel (T = 700{degrees} C) and type 304 (T = 1035{degrees} C) showed a dramatic decrease in the oxidation kinetics compared to the original uncoated alloys. The cyclic oxidation of alloy 800 was also improved.
The formation and breakdown of the passive films on stainless steels are mainly controlled by ionic and electronic transport processes. Both these processes are in part controlled by the electronic properties of the oxide film. Consequently, it is vital to gain a detailed perception of the electronic properties of the passive films together with structural and compositional information for a comprehensive understanding of mechanisms behind passivity and localised corrosion. As a step towards this goal the passive films formed on two main austenitic stainless steels AISI 316L and AISI 304L in borate solution were characterised by in situ Raman spectroscopy and photocurrent spectroscopy coupled with electrochemical measurements. This revealed the formation of an Fe-Cr spinel as the dominant constituent in the passive films with more Cr enrichment in the oxide film on 316L than that of 304L. Bandgap readings and semiconductivities of the two ...
The formation and breakdown of the passive films on stainless steels are mainly controlled by ionic and electronic transport processes. Both these processes are in part controlled by the electronic properties of the oxide film. Consequently, it is vital to gain a detailed perception of the electronic properties of the passive films together with structural and compositional information for a comprehensive understanding of mechanisms behind passivity and localised corrosion. As a step towards this goal the passive films formed on two main austenitic stainless steels AISI 316L and AISI 304L in borate solution were characterised by in situ Raman spectroscopy and photocurrent spectroscopy coupled with electrochemical measurements. This revealed the formation of an Fe-Cr spinel as the dominant constituent in the passive films with more Cr enrichment in the oxide film on 316L than that of 304L. Bandgap readings and semiconductivities of the two ...
One of the important aspects in an absorption system is the effectiveness in which the gas and liquid phases come into contact with each other. An effective absorption process will provide sufficient contacting area for the gas and liquid phases to interact upon. With this in mind, work was conducted to evaluate carbon dioxide (CO{sub 2}) absorption into aqueous solutions of monoethanolamine (MEA) using two different types of contacting devices: gas absorption membrane (GAM) modules and traditional packed columns. The performance of these two absorption devices was compared to one another using the overall mass transfer coefficient (K{sub G}a{sub v}) as a basis. The GAM module contained microporous polypropylene hollow fibre membranes and the packed absorption column contained Sulzer DX structured packing. The results indicate that GAM modules tend to have slightly larger K{sub G}a{sub v} values, potentially opening the door for smaller ...
The electrochemical behaviour of passive films formed on one austenitic stainless steel (AISI 304) and one ferritic stainless steel (AISI 446) in solutions with pH between 0.6 and 8.4 was studied by capacitance measurements and photocurrent spectroscopy. Compositional characterization of the passive films was done by X-ray photoelectron spectroscopy. The capacitance increases with decreasing pH. Doping densities evaluated from Mott-Schottky plots are in the range 2-6 x 10{sup 20} cm{sup -3} and increased with the pH in the neutral/alkaline range while in pH 0.6, values above 10{sup 21} cm{sup -3} were found. The bandgap energy indicates two transitions, at 2.5-2.8 and 3.2 eV. The analytical data reveal that, as the pH increased, the films become enriched in Fe(II) and Fe(III), whereas the Cr(III) gradually decreases. The films formed at very low pH had a behaviour that contrasts with that of the films formed in the neutral/alkaline media. The films are described by ...
The electrochemical behaviour of passive films formed on one austenitic stainless steel (AISI 304) and one ferritic stainless steel (AISI 446) in solutions with pH between 0.6 and 8.4 was studied by capacitance measurements and photocurrent spectroscopy. Compositional characterization of the passive films was done by X-ray photoelectron spectroscopy. The capacitance increases with decreasing pH. Doping densities evaluated from Mott-Schottky plots are in the range 2-6 x 10"2"0 cm"-"3 and increased with the pH in the neutral/alkaline range while in pH 0.6, values above 10"2"1 cm"-"3 were found. The bandgap energy indicates two transitions, at 2.5-2.8 and 3.2 eV. The analytical data reveal that, as the pH increased, the films become enriched in Fe(II) and Fe(III), whereas the Cr(III) gradually decreases. The films formed at very low pH had a behaviour that contrasts with that of the films formed in the neutral/alkaline media. The films are described by a bilayer ...
We propose behavior-oriented services as a new paradigm of communication in mobile human networks. Our study is motivated by the tight user-network coupling in future mobile societies. In such a paradigm, messages are sent to inferred behavioral profiles, instead of explicit IDs. Our paper provides a systematic framework in providing such services. First, user behavioral profiles are constructed based on traces collected from two large wireless networks, and their spatio-temporal stability is analyzed. The implicit relationship discovered between mobile users could be utilized to provide a service for message delivery and discovery in various network environments. As an example application, we provide a detailed design of such a service in challenged opportunistic network architecture, named CSI. We provide a fully distributed solution using behavioral profile space gradients and small world structures. Our analysis shows that user behavioral ...
Aluminum-containing intergranular phases, forming intergranular films and secondary phase particles at triple-junctions in SiC hot-pressed with aluminum, boron, and carbon additions, were studied by transmission electron microscopy. Statistical high-resolution electron microscopy study of intergranular films indicated that a large fraction of the vitreous intergranular films in the s-hot-pressed SiC crystallized during postannealing in argon above 1000 C. However, brief heating to 1900 C indeed re-melted 25 percent of the crystallized intergranular films. The structural transitions were reflected in the statistical width distributions of the amorphous grain boundary layers. At triple-junctions, Al2O3, Al2OC-SiC solid solution, and mullite phases were newly identified. These phases,together with others reported before are represented in a quaternary phase diagram for 1900 C. It is proposed that a SiC-Al2OC liquid domain is to be included in this ...
Wind power is an increasingly significant renewable energy resource, producing no environmentally damaging C0{sub 2} emissions. The efficient production of electricity by wind turbines relies on aerodynamics: aerodynamics of wind turbines provides the fundamental solutions to efficient wind turbine design. Following a historical introduction, Part 1 of Aerodynamics of Wind Turbines is concerned with basic rotor aerodynamics, while Part 2 deals with structural aspects of the wind turbine and calculation of the loads on it. Topics covered include increasing mass flow through the turbine, performance at low and high wind speeds, assessment of the extreme conditions under which the turbine will perform and the theory for calculating the lifetime of the turbine. The classical Blade Element Momentum method is also covered, as are eigenmodes and the dynamic behaviour of a turbine. Aerodynamics of Wind Turbines is an essential reference for both ...
Wind power is an increasingly significant renewable energy resource, producing no environmentally damaging CO2 emissions. The efficient production of electricity by wind turbines relies on aerodynamics. Aerodynamics of Wind Turbines provides the fundamental solutions to efficient wind turbine design. Following a historical introduction, Part 1 of Aerodynamics of Wind Turbines is concerned with basic rotor aerodynamics, while Part 2 deals with structural aspects of the wind turbine and calculation of the loads on it. Topics covered include increasing mass flow through the turbine, performance at low and high wind speeds, assessment of the extreme conditions under which the turbine will perform and the theory for calculating the lifetime of the turbine. The classical Blade Element Momentum method is also covered, as are eigenmodes and the dynamic behaviour of a turbine. Aerodynamics of Wind Turbines is an essential reference for both engineering ...
For good image quality using ultrasound inverse scattering, one alternately solves the well-posed forward scattering equation for an estimated total field and the ill-posed inverse scattering equation for the desired object property function. In estimating the total field, error or noise contaminates the coefficients of both matrix and data of the inverse scattering equation. Previous work on ill-posed inverse ultrasonic scattering commonly used Tikhonov regularization, which considers error only in the data. The solution so obtained is not precise enough to reconstruct the quantitative internal structure of a large or high-contrast object. This paper adopts the truncated total least squares method, simultaneously considering error and noise on both sides of the inverse scattering equation, and compares it with the classical Tikhonov regularization. We show that it can substantially improve reconstruction fit and image quality when the inverse ...
Passive films were formed on chromium by polarization at +400 mV/SHE in 0.5 M H{sub 2}SO{sub 4} for different times (30 minutes, 2 hours and 20 hours) without and with chlorides. The effect of chlorides was studied by adding NaCl to the solution before or after passivation. The chloride concentrations were 0.05, 0.3 and 1 M. The (i-E) curves recorded for Cr without and with Cl{sup -} are similar and the addition of chlorides after passivation has no significant effect on the current recorded in the passive state. The passive films were analyzed by angle-resolved XPS (AR-XPS). The measurements performed at different take-off angles of the photoelectrons show that the films have a bilayer structure constituted of an outer hydroxide layer, Cr(OH){sub 3}, and an inner oxide layer, Cr{sub 2}O{sub 3}. The thicknesses of the oxide and hydroxide layers are 3 A and 9 A, 6 A and 7 A and 6 A and 6 A for the films formed in 0.5 M H{sub 2}SO{sub 4} after 30 ...
Our institute has been investigating laser-produced tin, lithium and xenon plasma for extreme ultraviolet (EUV) light source of EUV lithography system, and found the highest conversion efficiency of 3% at 13.5 nm in 2% bandwidth. In the present paper, we introduce fabrication methods of density-controlled tin targets to generate relatively monochromatic EUV, and higher conversion efficiency than bulk tin. The first method is the nano-template method, where liquid tin solution was immersed into a polymer film with monodispersed size nano-particle. The density can be controlled by tin concentration of the solution. The target can be classified into mass-limited target. We have shown a tendency of monochromatic EUV emission around 13.5 nm with decreasing of tin density. The intensity was higher than tin foil with bulk density. The tendency has a merit to mitigate heat effect of the first EUV mirror. The fabrication method has another merit to ...
Our institute has been investigating laser-produced tin, lithium and xenon plasma for extreme ultraviolet (EUV) light source of EUV lithography system, and found the highest conversion efficiency of 3% at 13.5 nm in 2% bandwidth. In the present paper, we introduce fabrication methods of density-controlled tin targets to generate relatively monochromatic EUV, and higher conversion efficiency than bulk tin. The first method is the nano-template method, where liquid tin solution was immersed into a polymer film with monodispersed size nano-particle. The density can be controlled by tin concentration of the solution. The target can be classified into mass-limited target. We have shown a tendency of monochromatic EUV emission around 13.5 nm with decreasing of tin density. The intensity was higher than tin foil with bulk density. The tendency has a merit to mitigate heat effect of the first EUV mirror. The fabrication method has another merit to ...
Fuel irradiation leads to a swelling resulting from the formation of gaseous (Kr, Xe) or solid fission products which are found either in solution or as solid inclusions in the matrix. This phenomena has to be evaluated to be taken into account in fuel cladding Interaction. Fuel swelling was studied as a function of burn up by measuring the corresponding cell constant evolution by X-Ray diffraction. This study was realized on Mixed Oxide Fuels (MOX) irradiated in a Pressurized Water Reactor (PWR) at different burn-up for 3 initial Pu contents. Lattice parameter evolutions were followed as a function of burn-up for the irradiated fuel with and without an annealing thermal treatment. These experimental evolutions are compared to the theoretical evolutions calculated from the hard sphere model, using the fission product concentrations determined by the APPOLO computer code. Contribution of varying parameters influencing the unit cell value is discussed. Thermal ...
Three subbituminous coals of different rank demineralized in HCl and HF aqueous solutions were treated with several metal salt aqueous solutions to produce corresponding cation exchanged coals. In this treatment, the demineralized coals were exchanged by cations (K{sup +}, Na{sup +}, Mg{sup 2+}, Ca{sup 2+}, Fe{sup 3+} and Al{sup 3+}), which are known to be the major elements in coal minerals. The relations between the content and the kind of exchanged cations were investigated. For lower rank coals, such as Adaro and Black Thunder coals, almost linear relations between the content of exchanged cations and the decreasing amounts of pyridine soluble yields of the cation exchanged coals based on the values in the respective demineralized coals were found. From the differences of the gradients, it was confirmed that the noncovalent associations such as hydrogen bonds between pyridine and coal molecules were proportionally reduced by cation ...
This report documents a one-dimensional numerical model, SAMFT1D, developed to simulate single-phase and multiphase fluid flow and solute transport in variably saturated porous media. The formulation of the governing equations and the numerical procedures used in the code for single-phase and multiphase flow and transport are presented. The code is constructed to handle single-phase as well as two or three-phase flow conditions using two integrated sets of computational modules. The fully implicit scheme is used in the code for both single-phase and multiphase flow simulations. Either the Crank-Nicholson scheme or the fully implicit scheme may be used in the transport simulation. The single-phase modules employ the Galerkin and upstream weighted residual finite element techniques to model flow and transport of water (aqueous phase) containing dissolved single-species contaminants concurrently or sequentially, and include the treatment of various boundary conditions ...
This report summarizes the major activities conducted in the Chemical and Energy Research Section of the Chemical Technology Division at Oak Ridge National Laboratory (ORNL) during the period October--December 1997. The section conducts basic and applied research and development in chemical engineering, applied chemistry, and bioprocessing, with an emphasis on energy-driven technologies and advanced chemical separations for nuclear and waste applications. The report describes the various tasks performed within six major areas of research: Hot Cell Operations, Process Chemistry and Thermodynamics, Separations and Materials Synthesis, Fluid Structure and Properties, Biotechnology Research, and Molecular Studies. The name of a technical contact is included with each task described, and readers are encouraged to contact these individuals if they need additional information. Activities conducted within the area of Hot Cell Operations included efforts to optimize the ...
Novel CdS hollow microspheres have been successfully synthesized via a facile template-free solution-phase reaction from cadmium nitrate and thioacetamide precursors. The morphology of CdS hollow microspheres depends strongly on the ratio between the precursors, cadmium nitrate to thioacetamide ratio. The physical properties of the hollow microspheres have systematically been studied by different characterization methods. The stoichiometry of the hollow microspheres studied by the energy dispersive X-ray diffraction spectroscopy confirmed that the synthesized CdS hollow microspheres are nearly stoichiometric bulk like CdS. The morphology of the hollow microspheres studied by high resolution scanning electron microscopy and transmission electron microscopy observations showed that the CdS hollow microspheres of the size of 2.5 ?m have hollow structure and are constructed by several nanoparticles of the size between 30 and 40 nm. The UV-visible ...
In this work, {beta}-SnS{sub 2} thin films have been prepared on glass substrates by the spray pyrolysis technique using an alcohol solution which contains tin chloride (SnCl{sub 4}) and thiourea (SC(NH{sub 2}){sub 2}) as precursors. The structural study shows that {beta}-SnS{sub 2} thin film prepared using optimal experimental conditions: substrate temperature T{sub s} = 280 deg. C and the concentration ratio of sulfur and tin elements in the spray solution x = [S]/[Sn] = 2.5, crystallizes in the hexagonal phase with a strong (0 0 1) X-ray diffraction line. In the same way, microprobe analyses (EPMA) as well as X-ray photoelectron spectroscopy (XPS) show the presence of undiserable phase of SnO{sub 2}. From the transmission and reflectance spectra, the band gap energy is 2.65 eV. On the other hand, the photothermal properties of such films have been studied, the thermal conductivity was K{sub c} = 0.85 W m{sup -1} K{sup ...
In this work, ?-SnS2 thin films have been prepared on glass substrates by the spray pyrolysis technique using an alcohol solution which contains tin chloride (SnCl4) and thiourea (SC(NH2)2) as precursors. The structural study shows that ?-SnS2 thin film prepared using optimal experimental conditions: substrate temperature Ts = 280 deg. C and the concentration ratio of sulfur and tin elements in the spray solution x = [S]/[Sn] = 2.5, crystallizes in the hexagonal phase with a strong (0 0 1) X-ray diffraction line. In the same way, microprobe analyses (EPMA) as well as X-ray photoelectron spectroscopy (XPS) show the presence of undiserable phase of SnO2. From the transmission and reflectance spectra, the band gap energy is 2.65 eV. On the other hand, the photothermal properties of such films have been studied, the thermal conductivity was Kc = 0.85 W m-1 K-1 and the thermal diffusivity was Dc = 14.5 x 10-6 m2 s-1. The ...
The synthesis, characterization, and photophysical properties of several Pt(II) complexes of quinoxaline-2,3-dithiolate (qdt) and 6,7-dimethylquinoxaline-2,3-dithiolate (dmqdt) are described. Specifically, (TBA){sub 2}[Pt(qdt){sub 2}], where TBA = tetra-n-butylammonium, Pt(COD)(qdt), where COD = 1,5-cyclooctadiene, and Pt(phen)(qdt), where phen = 1,10-phenanthroline, and their dmqdt analogs have been prepared and examined with respect to their photophysical properties. Highly structured emission from Pt(COD)(qdt) in frozen glass solution at 77 K has been detected, having a major vibrational progression of 1370 cm{sup {minus}1} corresponding to a C=C stretching frequency of the quinoxalinedithiolate backbone. Solution luminescence from (TBA){sub 2}[Pt(qdt){sub 2}] and Pt(phen)(qdt) has been detected with quantum yields, {Phi}{sub em}, of 10{sup {minus}5} and 10{sup {minus}3}, respectively, although the latter is highly ...
The study of tropospheric kinetics underlies global change because key greenhouse gases are photochemically active. Modeling of tropospheric chemistry on a global scale is essential because some indirect greenhouse gases are short-lived and interact in a non-linear fashion. It is also extremely challenging, however; the global change grid is extensive in both the physical and temporal domains, and critical lower atmospheric species include the organics and their oxidized derivatives, which are numerous. Several types of optimization may be incorporated into kinetics modules to enhance their ability to simulate the complete lower atmospheric gas phase chemical system. (1) The photochemical integrator can be accelerated by avoiding matrix and iterative solutions and by establishing families. Accuracy and mass conservation are sacrificed in the absence of iteration, but atom balancing is restorable post hoc. (2) Chemistry can be arranged upon the massive grid to ...
Alloy 600 is commonly used in the primary systems of PWR plants because of its excellent resistance to a stress corrosion cracking and pitting. But a stress corrosion cracking and pitting corrosion are occasionally observed under PWR conditions, which may be correlated with the passive film on the Alloy 600 surface. There is little information on the composition of films growing on the surface of Alloy 600 at high temperature. Therefore, an understanding of the basic electrochemical behaviors about an anodic dissolution and the passivation of the bare surface of metals and alloys provides important information about localized corrosions like a SCC and pitting. Oxide on the steel surfaces in an aqueous solution above 100 .deg. C is composed of a duplex film structure. The inner layer of the oxide is dense and less porous, which is formed by a growth of the oxide layer on the metal surface. Outer layer of the oxide is less adhesive, which is ...
Alloy 600 is commonly used in the primary systems of PWR plants because of its excellent resistance to a stress corrosion cracking and pitting. But a stress corrosion cracking and pitting corrosion are occasionally observed under PWR conditions, which may be correlated with the passive film on the Alloy 600 surface. There is little information on the composition of films growing on the surface of Alloy 600 at high temperature. Therefore, an understanding of the basic electrochemical behaviors about an anodic dissolution and the passivation of the bare surface of metals and alloys provides important information about localized corrosions like a SCC and pitting. Oxide on the steel surfaces in an aqueous solution above 100 .deg. C is composed of a duplex film structure. The inner layer of the oxide is dense and less porous, which is formed by a growth of the oxide layer on the metal surface. Outer layer of the oxide is less adhesive, which is ...
The creep characteristics of alloy 800 at temperatures around 600/sup 0/C are greatly affected by the composition and treatments in the final stages of manufacture. Short-term and creep properties of alloy 800 at 600/sup 0/C are described for six melts covering the carbon range 0.054-0.078%, the titanium range 0.23-0.57% and the aluminium range 0.17-0.52%. The properties are related to the alloy chemistry and the microstructure. It is shown that homogeneously nucleated ..gamma..'-precipitates are the main cause of low ductility in alloy 800 but there is also some influence of, for instance, grain boundary M/sub 23/C/sub 6/ films and discontinuous precipitation of Ni/sub 3/Ti or M/sub 23/C/sub 6/ in grain boundaries. The extent of ..gamma..'-precipitation is controlled primarily by the (Ti+Al)-content. To avoid ..gamma..' and ensure a high creep ductility the (Ti+Al)-content should be limited to 0.70-0.75% for alloy 800 with a carbon content of 0.054-0.078% ...
The creep characteristics of alloy 800 at temperatures around 600"0C are greatly affected by the composition and treatments in the final stages of manufacture. Short-term and creep properties of alloy 800 at 600"0C are described for six melts covering the carbon range 0.054-0.078%, the titanium range 0.23-0.57% and the aluminium range 0.17-0.52%. The properties are related to the alloy chemistry and the microstructure. It is shown that homogeneously nucleated #gamma#'-precipitates are the main cause of low ductility in alloy 800 but there is also some influence of, for instance, grain boundary M_2_3C_6 films and discontinuous precipitation of Ni_3Ti or M_2_3C_6 in grain boundaries. The extent of #gamma#'-precipitation is controlled primarily by the (Ti+Al)-content. To avoid #gamma#' and ensure a high creep ductility the (Ti+Al)-content should be limited to 0.70-0.75% for alloy 800 with a carbon content of 0.054-0.078% and solution annealed at 1150"0C. A lower ...
Surface layers on lithium electrodes formed in several solvents including dimethyl carbonate (DMC), diethyl carbonate (DEC), polyethylene glycol 400 dimethyl ether (PEG400DME), and propylene carbonate (PC) have been studied by Raman spectroscopy. Both DMC and DEC were used singly, and also mixed with either methyl acetate or methyl formate. The Raman spectra showed that passive films formed on the Li surface in different solvents may have different chemical structures, which changed during the charging and discharging processes. A solid film of fullerene C6O, which could be used as a cathode in Li rechargeable batteries, was examined in the PEG400DME solution by both electrochemical and Raman spectroscopy. Cyclic voltammograms (CVs) showed five redox peaks which suggested the formation of C6O(-), C6O(2-), C6O(3-), C6O(4-), and C6O(5-). Raman spectra obtained from thin C6O film indicated that the thin fulleride film dissolved in the ...
The significant and rapid reduction of greenhouse gas emissions is recognized as necessary to mitigate the potential climate effects from global warming. The postcombustion capture (PCC) and storage of carbon dioxide (CO{sub 2}) produced from the use of fossil fuels for electricity generation is a key technology needed to achieve these reductions. The most mature technology for CO{sub 2} capture is reversible chemical absorption into an aqueous amine solution. In this study the results from measurements of the CO{sub 2} absorption capacity of aqueous amine solutions for 76 different amines are presented. Measurements were made using both a novel isothermal gravimetric analysis (IGA) method and a traditional absorption apparatus. Seven amines, consisting of one primary, three secondary, and three tertiary amines, were identified as exhibiting outstanding absorption capacities. Most have a number of structural features in ...
Benchmark calculations for radiation transport coupled to a material temperature equation in a 1-D slab and 1-D spherical geometry binary random media are presented. The mixing statistics are taken to be homogeneous Markov statistics in the 1-D slab but only approximately Markov statistics in the 1-D sphere. The material chunk sizes are described by Poisson distribution functions. The material opacities are first taken to be constant and then allowed to vary as a strong function of material temperature. Benchmark values and variances for time evolution of the ensemble average of material temperature energy density and radiation transmission are computed via a Monte Carlo type method. These benchmarks are used as a basis for comparison with three other approximate methods of solution. One of these approximate methods is simple atomic mix. The second approximate model is an adaptation of what is commonly called the Levermore-Pomraning model and which is referred to ...
The acid-base behavior of the ground and excited states of Pt(qdt){sub 2}{sup 2{minus}} and Pt(phen)(qdt), where qdt=quinoxaline-2,3-dithiolate and phen = 1,10-phenanthroline, has been studied. The pH-dependent changes in the charge-transfer absorption and emission spectra for both complexes are attributed to protonation of the quinoxalinedithiolate ligand at the imine nitrogen. For Pt(qdt){sub 2}{sup 2{minus}}, single protonation leads to a large red shift (2582 cm{sup {minus}1}) of the low-energy charge-transfer-to-dithiolate absorption band and the emergence of a new red-shifted emission feature at 728 nm. In solutions of pH below 6, a second protonation takes place at the other qdt ligand, yielding Pt-(Hqdt){sub 2}. This neutral complex has been isolated and characterized by {sup 1}H NMR spectroscopy and elemental analyses. The ground-state basicity constants of the two protonation steps have been determined from spectrophotometric titrations to be pK{sub b1} = ...
Alloy 690 and Alloy600 are used as a material for the steam generator tubing in the pressurized water reactor(PWR) of nuclear power plants due to its high corrosion resistance. Although those are a highly corrosion resistance material, their stress corrosion cracking(SCC) have been found on occasion, which are deeply related to a surface oxide film on a base material which have occurred on the primary side as well as the secondary side of a tubing. And The SCC is accelerated in the existing Pb which is the impurity of secondary steam generator components. The Oxide on a steel surface in an aqueous solution above 100 .deg. C is composed of a duplex film structure. The inner layer of the oxide is dense and less porous, which is formed by a growth of the oxide layer on the metal surface. The outer layer of the oxide is less adhesive, which is formed by a dissolution and precipitation mechanism. Growth processes of the inner layer and the outer ...
Alloy 690 and Alloy600 are used as a material for the steam generator tubing in the pressurized water reactor(PWR) of nuclear power plants due to its high corrosion resistance. Although those are a highly corrosion resistance material, their stress corrosion cracking(SCC) have been found on occasion, which are deeply related to a surface oxide film on a base material which have occurred on the primary side as well as the secondary side of a tubing. And The SCC is accelerated in the existing Pb which is the impurity of secondary steam generator components. The Oxide on a steel surface in an aqueous solution above 100 .deg. C is composed of a duplex film structure. The inner layer of the oxide is dense and less porous, which is formed by a growth of the oxide layer on the metal surface. The outer layer of the oxide is less adhesive, which is formed by a dissolution and precipitation mechanism. Growth processes of the inner layer and the outer ...
One-electron reduction of the square-planar nickel precursor (PNP)NiCl ( 1) (PNP (-) = N[2-P(CHMe 2) 2-4-methylphenyl] 2) with KC 8 effects ligand reorganization of the pincer ligand to assemble a Ni(I) dimer, [Ni(mu 2-PNP)] 2 ( 2), containing a Ni 2N 2 core structure, as inferred by its solid-state X-ray structure. Solution magnetization measurements are consistent with a paramagnetic Ni(I) system likely undergoing a monomer dimer equilibrium. The room-temperature and 4 K solid-state X-band electron paramagnetic resonance (EPR) spectra display anisotropic signals. Low-temperature solid-state X-band EPR data at 4 K reveal rhombic values g z = 1.980(4), g x = 2. 380(4), and g y = 2.225(4), as well as a forbidden signal at g = 4.24 for the Delta M S = 2 half field transition, in accord with 2 having two weakly interacting metal centers. Utilizing an S = 1 model, full spin Hamiltonian simulation of the low-temperature EPR ...
The solution of the continuity equation in practical applications is examined, and the values needed for approximate solutions are indicated. Models are adequate for investigating what could happen,...Full Text Available
The effects of a maltodextrin (dextrose equivalent 12)-electrolyte solution and a maltodextrin-electrolyte solution with added nutrients on net water and electrolyte transport in the secreting rat intestine was compared with the citrate-World Health Organization oral rehydration solution to determine the need for a clinical trial to evaluate the efficacy of these maltodextrin solutions in acute diarrhoea treatment. Cholera toxin consistently produced net water secretion (-36.5 +/- 9.9 mean +/- SEM microliter/min/g dry weight of intestine). All three solutions reversed the cholera toxin-induced net intestinal water secretion to net absorption. Significantly greater net water absorption occurred from the maltodextrin-electrolyte solution compared to the World Health Organization solution (P < 0.05) but not when compared to the ...
Another difference lies in the speed of star evolution. 2. Computation of Stellar Structure and Their Evolution. The structure of stars at certain instants ...
Structure and magnetic properties of UNi_1_0_-_xFe_xSi_2 intermetallics and "2"9Si nuclear magnetic resonance (NMR) in UNi_1_0Si_2 are investigated in a wide temperature range. Solid solutions in the exactly single-phase tetragonal form, ThMn_1_2 type, exist for x<2. The Ni and Fe atoms occupy the 8(f), 8(i) and 8(j) positions statistically, whereas the U atoms occupy the 2(a) and the Si atoms the 8(j) sites. The lattice parameters roughly follow Vegard's law. The magnetic susceptibility does not exhibit Curie-Weiss behaviour and, at about 630 K, an anomaly in the temperature dependence is observed. At low temperature, other anomalies are observed at 32 K and 45 K, for x=0.5 and 1.0 respectively. These low temperature anomalies are probably connected with magnetic ordering of a ferromagnetic character, whereas that at 630 K might result from the superparamagnetic state of Ni. Two "2"9Si NMR lines in UNi"1"0Si"2 were observed with the Knight ...
In order to investigate nonlinear gravitational galaxy clustering, three different quantitative analyses were carried out: two-point correlation functions, {xi}(r); fractal dimensions, D{sub q}; and f(N) statistics. The relation between the exponent {gamma} of the correlation function ({xi}(r) {proportional to} r{sup -{gamma}}) and the fractal dimensions, D{sub q}, was derived with the help of the probability distribution function, f(N), for finding N galaxies within a volume V. The methods were applied to analyze the results of N-body simulations with power law initial density fluctuations ( {delta}{sub k} {sup 2} {proportional to} k{sup n}, n = 1, 0, -1 and -2). These analyses show that the exponent, {gamma}, of the power law {xi}(r) is approximately 2 in the nonlinear regime for models with n = 1 and 0. For models with n = -1 and -2, the correlation functions comprise two parts of the intermediate and small scales in the nonlinear regime. The exponent of {xi}(r) is about 2 in the ...
Investigations of alternative renewable energy resources continue, with many studies concentrating on hydrogen storage. However, there are a few problems such as storage, transportation, delivery to the user and usage safely, to be addressed to facilitate commercialization and wide usage of the hydrogen. The absorbed form within the metal hydrides seems to be the best solution of this problem. Since Li is the lightest metal, it has the advantage as the stored amount of hydrogen mass ratio. LiBH{sub 4} production process was investigated using elemental Li, B and H{sub 2}. Spex type ball milling with tungsten carbide, stainless steel and zirconia type vessels, was used to mix the different amount of Li and B under argon atmosphere. X-ray diffraction pattern demonstrated that the LiB was obtained. A system was designed to provide a hydrogen atmosphere of 60 bars to force hydrogen into the LiB structure. FTIR analysis strongly indicated the ...
The transmutation of minor actinides in-reactor is one solution currently being studied for the long time management of nuclear waste. In the heterogeneous concept the radionuclides are incorporating in an inert ceramic matrix. The support material must be insensitive to radiation damage. Fission product damage is the main radiation damage source during the transmutation process and therefore it is of the utmost importance to study their effects. We irradiated spinels MgAl_2O_4 (matrix of reference) and ZnAl_2O_4 by fast ions (by example: (86)Kr of approximately 400 MeV) simulating the fission products. Under these conditions, the damage is primarily due to the electronic energy losses (Se). One of the structural features of spinel AB_2O_4 is that the two cations (A(2+) and B(3+)) can exchange their site. This phenomenon is quantified by the inversion parameter. We highlight by XRD in grazing incidence that the structural ...
A new three-dimensional (3D) acoustic modelling method was developed using a first-order hyperbolic wave system which was solved with explicit finite dfferences. The numerical solution of the 3D wave system provides a useful method for simulating evolution of a pressure field corresponding to compressional type waves. Existing two-dimensional (2D) elastic modelling algorithms were modified and fine-tuned for computationally efficient and realistic wave propagation simulations in complex structures. An original formulation of the 3D reverse time migration method was developed which is very accurate, does not suffer from unwanted evenescent energy, can image dips beyond 90{degree}, and does not generate multiple energy. Two case studies were performed that involved steam stimulation projects in the Cold Lake deposit. Simulations were performed during different phases of the steam stimulation process to examine the relation between reservoir ...
VSP data are usually acquired in order to obtain high-resolution images of complex structures in reservoirs and near boreholes. The authors present an elastic iterative migration scheme which has few limitations regarding the complexity of the geology, and where the macromodel for both P- and S-wave velocities is automatically improved and updated at each iteration. They avoid wavefield separation (up/down and P/S) and the simplifying assumptions of small dips underlying most such methods. The migration scheme is based on elastic inversion theory. The wavefield extrapolation is based on a high-order, coarse-grid, finite-difference solution to the elastic two-way wave equation. At each iteration, the macromodel is updated using a gradient method, in which the gradient is computed by correlation of forward-modelled fields with back-propagated residual fields. The first iteration of the migration scheme is equivalent to elastic reverse-time ...
The micro-arrangement of hydrogen atoms and the electronic properties of hydrides LaNi_5H_x (0.5, 1.0, 2.0, 3.0, 4.0, 5.0, 6.0, 7.0) have been systematically investigated by means of the density functional theory using the full-potential linearized augmented plane wave (FLAPW) method with the generalized gradient approximation (GGA). The calculated results indicate that H atoms prefer to occupy the 12n site in the #alpha# solid solution phase. For the #beta# phase, once the first H atom locates in the basal plane (12n site), and because it is difficult for the second H atom to still locate in the 12n site, the second H atom would prefer to occupy the middle plane site (6m site). When the number of H atoms increases from 3 to 5, they would occupy the other 12n and 6m sites by turns. Furthermore, our optimized data indicate that the structures P3 and P63mc are the most favorable structures of LaNi_5H_6 and LaNi_5H_7, ...
Single crystals of U(Ni_1_-_xPd_x )_2Si_2 for x = 0.05, 0.10 and 0.15 have been grown. Magnetization and electrical resistivity measurements were performed in a wide range of temperatures, magnetic fields and high pressures in order to study stability of magnetic phases in the solid solutions between UNi_2Si_2 and UPd_2Si_2 with a special emphasis on the type of ground state. In UPd_2Si_2 the simple AFI-type antiferromagnetic structure of U moments is observed at low temperatures. UNi_2Si_2 adopts the uncompensated AF structure (UAF) with the ++- stacking of U moments along the c-axis and consequently this compound exhibits a spontaneous magnetization corresponding to 1/3 of the U moment. The substitution of Pd for Ni leads to a rapid decay of the spontaneous magnetization. The evolution of magnetization and electrical resistivity behavior with Pd doping is tentatively attributed to the coexistence of the AF-I and UAF ...
The aim for deterministic control of the interactions between macroions in aqueous media has motivated widespread experimental and theoretical work. Although it has been well established that like-charged macromolecules can aggregate under the influence of oppositely charged condensing agents, the specific conditions for the stability of such aggregates can only be determined empirically. We examine these conditions, which involve an interplay of electrostatic and osmotic effects, by using a well defined model system composed of F-actin, an anionic rod-like polyelectrolyte, and lysozyme, a cationic globular protein with a charge that can be genetically modified. The structure and stability of actin-lysozyme complexes for different lysozyme charge mutants and salt concentrations are examined by using synchrotron x-ray scattering and molecular dynamics simulations. We provide evidence that supports a structural transition from columnar ...
Purpose: An inverse treatment planning algorithm for tomotherapy is described. Methods and Materials: The algorithm iteratively computes a set of nonnegative beam intensity profiles that minimizes the least-squares residual dose defined in the target and selected normal tissue regions of interest. At each iteration the residual dose distribution is transformed into a set of residual beam profiles using an inversion method derived from filtered backprojection image reconstruction theory. These 'residual' profiles are used to correct the current beam profile estimates resulting in new profile estimates. Adaptive filtering is incorporated into the inversion model so that the gross structure of the dose distribution is optimized during initial iterations of the algorithm, and the fine structure corresponding to edges is obtained at later iterations. A three dimensional, kernel based, convolution/superposition dose model is used to compute dose ...
Under support from the French Space Agency (CNES), a 3D+t dusty-gas model of Comet 67P/Churyumov-Gerasimenko is being developed, to compute, from the first 2014 Rosetta orbital data, the aerodynamic forces exerted on the Rosetta orbiter and on the descent lander. We report the recently developed dust dynamics part of the code. The multi-species (presently H2O and CO) gas code is optimized in terms of computational speed owing to the use of two complementary methods: (a) 3D+t Direct Simulation Monte Carlo (DSMC) runs in the non-equilibrium regions adjacent to the surface and very distant from it, and (b) solutions of the Navier-Stokes equations in-between. The model is used presently using Lamy et al. (Space Sci. Rev., 2007, 128, 23) coarse information on 67P nucleus shape and rotation, and a range of possible gas production rates Q for the early Rosetta observations at rh 3 AU (Q 1026 - 1027 s-1). In the interim version, simplifying assumptions are made with ...
My proposed econometric solution to the forward-bias puzzle provoked several comments. Those comments raise three primary objections to my solution. (1) It suffers from multicollinearity, miss-specification and other serious econometric problems. (2) My key test equation is a tautology or identity. (3) My econometric solution has nothing to do with either the forward-bias puzzle or uncovered interest parity. This is my reply to those objections.
The rod drop time event of the Daya Bay Nuclear Power Plant is caused by the malfunction of the guide tube developed by Framatome. Three temporary solutions were implemented successively and the long term solution was found in the process of searching for the root cause. The different solutions and the root cause are introduced. The safety analysis and license of the solutions are mainly discussed. Experiences and lessons are drawn by summarizing the important items related to nuclear safety.
Analytical expression of the dependence of freezing temperature of electrolyte (CdCl_2, CdSO_4, BeSO_4) aqueous solutions on their composition was found. Three different methods were suggested were suggested for calculation of water activity in multicomponent solution. It was established that sublinear extrapolation of freezing temperature of salt aqueous solutions was possible not up to -5 deg C, but up to -15 deg C, independently of their composition. 6 refs.; 2 figs.
We study the uniqueness of solutions of a semilinear elliptic problem obtained from an inverse formulation when the nonlinear terms of the equation are prescribed in a general class of real functions. The inverse problem arises in the modeling of the magnetic confinement of a plasma in a Stellarator device. The uniqueness proof relies on an L"#infinity# -estimate on the solution of an auxiliary nonlocal problem formulated in terms of the relative rearrangement of a datum with respect to the solution.
This paper investigates the spectral characteristics of three-dimensionally porous carbon dioxide indicators based on a porous silicate glass and phenolphthalein. The absorption spectra of the original solutions of phenolphthalein in alkaline and acid solutions are shown. The solutions were acidified by bubbling CO/sub 2/ through an alkaline phenolphthalein solution. The authors have succeeded in producing a reversible colorimetric adsorption indicator for carbon dioxide which after proper calibration enables the CO/sub 2/ content of an atmosphere to be estimated quantitatively.
With the use of the regular solutions model the expressions have been derived for calculation of boundaries of spinodal decomposition region as applied to five-component solid solutions of A"3B"5 compounds. The evaluation has been made of fields of stability for Al_x__1Ga_x__2In_1_-_x__1_-_x__2PyAs_1_-_y solid solution.
The 52 papers discuss the following subjects: 1. Preparation and structural development; 2. Structural constitution; 3. Structural formation and phase transition; 4. Structure and mechanical properties; 5. Structural formation of metallic and nonmetallic materials; 6. Quantitative metallography, and 7. Quality assurance.
Full text: Radiotherapy treatment planning (RTP) relies heavily on medical imaging. Until recently, the most important planning tool was the treatment simulator. The kilovoltage radiographic capabilities in a treatment simulator enabled the boundaries of treatment fields to be visualized with respect to bony anatomic landmarks. Perhaps the most important advance in treatment planning in recent years is the ability to visualize the passage of the beams with respect to a more accurate geometrical representation of the tumor and other soft tissue structures. This 'virtual simulation' uses a computer-based representation of a patient to determine the extent of the disease and the location of radiation sensitive normal tissue. Computer tomographic (CT) imaging produces a high-resolution three-dimensional representation of anatomy that can be correlated with other image sets such as magnetic resonance images (MRI) of function. Positron emission tomographic (PET) imaging ...
We investigate the construction of five-dimensional supergravity solutions that do not have any triholomorphic U(1) isometries. We construct a class of solutions that in various limits of parameters reduces to many of previously constructed five-dimensional supergravity solutions based on both hyper-Kaehler base spaces that can be put into a Gibbons-Hawking form and hyper-Kaehler base spaces that cannot be put into a Gibbons-Hawking form. We find a new solution which is over triaxial Bianchi type IX Einstein-hyper-Kaehler base space with no triholomorphic U(1) symmetry. One special case of this solution corresponds to a five-dimensional solution based on Eguchi-Hanson type II geometry.
We investigate the existence of time-periodic solutions of the Dirac equation in the Kerr-Newman background metric. To this end, the solutions are expanded in a Fourier series with respect to the time variable $t$ and the Chandrasekhar separation ansatz is applied so that the question of existence of a time-periodic solution is reduced to the solvability of a certain coupled system of ordinary differential equations. First, we prove the already known result that there are no time-periodic solutions in the non-extreme case. Then it is shown that in the extreme case for fixed black hole data there is a sequence of particle masses $(m_N)_{N\\in\\mathbb N}$ for which a time-periodic solution of the Dirac equation does exist. The period of the solution depends only on the data of the black hole described by the Kerr-Newman metric.
The anodic behaviour and passivity breakdown of Alloy 800 in aqueous solutions of sodium chloride, sodium sulphate and sodium bicarbonate were studied by electrochemical techniques in the temperature range from 60 C to 280 C. The pitting resistance and pitting morphology of the alloy in chloride plus sulphate and chloride plus bicarbonate mixtures, at 60 C and 280 C, were also examined. Increasing bicarbonate or sulphate additions to chloride solutions shift the characteristic pitting potential of Alloy 800 to higher values, both at low and high temperatures. Changes in pitting morphology were observed in sulphate containing solutions while the morphology of the attack found in bicarbonate containing solutions was similar to that in pure chloride solutions. Finally, no localized or substantial generalized corrosion was detected in pure sulphate or bicarbonate ...
Combining the approaches given by Baldwin [Baldwin D et al. Symbolic computation of exact solutions expressible in hyperbolic and elliptic functions for nonlinear PDEs. J Symbol Comput 2004;37:669-705], Peng [Peng YZ. A polynomial expansion method and new general solitary wave solutions to KS equation. Comm Theor Phys 2003;39:641-2] and by Schuermann [Schuermann HW, Serov VS. Weierstrass' solutions to certain nonlinear wave and evolution equations. Proc progress electromagnetics research symposium, 28-31 March 2004, Pisa. p. 651-4; Schuermann HW. Traveling-wave solutions to the cubic-quintic nonlinear Schroedinger equation. Phys Rev E 1996;54:4312-20] leads to a method for finding exact travelling wave solutions of nonlinear wave and evolution equations (NLWEE). The first idea is to generalize ansaetze given by Baldwin and Peng to find elliptic solutions of ...
The crystallization of calcium sulfate from aqueous solutions with NaCl is both geological and industrial interest because NaCl is the dominant solute in natural brines and many industrial fluids. Induction periods for the nucleation of calcium sulfate dihydrate were experimentally determined as a function of supersaturation in NaCl solutions from 0 to 6 m at 25 C and in 3.0-m NaCl solutions at temperatures from 25 to 90 C. Using classic nucleation theory, the interfacial tension between gypsum and 3.0-m NaCl solution was estimated to be about 39 mJ/m[sup 2] at 25 C and increases with increasing temperature (to 63 mJ/m[sup 2] at 90 C). It was observed that the induction period decreases with increasing NaCl concentrations up to 3 m and then starts to increase slightly at a given temperature and saturation state. The electrolyte effect on nucleation was proportional to the enhanced ...
The threshold stress intensities for stress corrosion crack propagation in beta titanium alloy 38-6-44, Ti3Al-8V-6Cr-4Mo-4Zr, has been determined in salt water and methanolic solutions. The alloy was immune to stress corrosion cracking (SCC) in aqueous sodium chloride solutions (marine atmosphere). However, in methanolic solutions, the alloy was very susceptible to SCC. This marked susceptibility in methanolic solutions can be mitigated by the addition of an inhibitor: sodium nitrate. Crack extension in the alloy was transgranular and failure occurred by brittle quasi-cleavage in methanolic solutions.
The Stefan problem involving a source term is considered in this technical note. As an example, planar solidification with time-dependent heat generation in a semi-infinite plane is solved by use of a perturbation technique. The perturbation solution is validated by reducing the problem to the case without heat generation whose exact solution is available. An application to the case with constant heat generation is presented, for which a closed-form solution is obtained. The effects of heat generation and Stefan number on the evolution of solidification are examined using the perturbation solution.
A thermodynamic model was used to estimate enthalpy of solution of carbon dioxide (CO{sub 2}) in methyldiethanolamine (MDEA) aqueous solutions. The model was based on a set of equations for chemical equilibria, phase equilibria, charge, and mass balances. Non-ideality in the liquid phase was taken into account by interaction parameters fitted to (vapor + liquid) equilibrium data. The enthalpies of solution of CO{sub 2} were derived from the model using classical thermodynamic relations and were compared to experimental values obtained in previous works.
A thermodynamic model was used to estimate enthalpy of solution of carbon dioxide (CO_2) in methyldiethanolamine (MDEA) aqueous solutions. The model was based on a set of equations for chemical equilibria, phase equilibria, charge, and mass balances. Non-ideality in the liquid phase was taken into account by interaction parameters fitted to (vapor + liquid) equilibrium data. The enthalpies of solution of CO_2 were derived from the model using classical thermodynamic relations and were compared to experimental values obtained in previous works.
Photoluminescence spectra for solutions containing Sm"3"+ isotope ions in heavy and normal water were studied in the wave length #lambda# = 500-700 nm and for absorption spectra and photoluminescence excitation spectra within the range of #lambda# = 260-600 nm. Differences in molar extinction coefficients for "1"4"4Sm"3"+ and "1"5"4Sm"3"+ were established both in the solutions with D_2O and by transition from the solutions with D_2O to the solutions with H_2O. New possible causes of the identified effects are discussed
The rate of corrosion of hardened cement paste in solutions of nitric, hydrochloric, sulfuric, acetic and formic acids was compared. Corrosion in solutions of acetic and nitric acids with different concentrations was studied in more detail. The results made it possible to obtain the relationships expressing the influence of concentration and the time of action of acid solutions on the depth of corrosion. The rates of corrosion in nitric acid solutions during the first 3 years were about 2 to 4 times that in acetic acid solutions, depending on the concentration.
For the advanced fusion reactor FFHR2 (Force Free Helical Reactor) that has been proposed by NIFS, molten salt Flibe (LiF:BeF2=64:36) breeder blanket system is selected because of Flibe's features such as chemical stability, low-pressure operation and low electric conductivity. The Flibe is however high Prandtl number fluid since it has high viscosity and low thermal conductivity. Therefore its heat transfer performance is low compared with liquid Li or Pb-Li. In addition to heat removal of 1MW/m2 on the first wall, electrolysis of molten salt due to MHD effect will take place under high flow rate condition. This indicates that heat transfer enhancement under low flow rate is essential for the Flibe blanket system. In our laboratory, heat transfer characteristics of molten salt HTS (KNO3:NaNO2:NaNO3=53:40:7), have been evaluated, which is used as a simulant fluid of Flibe from the points of view of Be's toxicity and similar Prandtl number. In this paper, we adopt nano-particle layer ...
The effects of thiosulfate ion and solution pH on pitting corrosion of Alloy 690 in chloride solution were explored. Potentiodynamic polarization measurements were conducted to evaluate pitting corrosion susceptibility of Alloy 690 in these environments. The results showed that pitting corrosion occurred in the mill-annealed (1050 deg. C/5min) Alloy 690 in 1 wt% NaCl solution but not in 0.1 M Na{sub 2}S{sub 2}O{sub 3} solution. The value of pitting nucleation potential (E{sub np}) determined in 1 wt% NaCl solution (without Na{sub 2}S{sub 2}O{sub 3} ) increased with increasing solution pH value in the range of 2-10. The addition of Na{sub 2}S{sub 2}O{sub 3} to 1 wt% NaCl solution greatly affected the pitting corrosion behavior, which was dependent on concentration. The preformed nickel sulfide surface film due to the presence of Na{sub ...
Peeled Avena sativa coleoptile sections have been used to study the control of solute uptake under conditions where the uptake is not limited by the cuticular barrier. In the presence of 2% sucrose, auxin enhances the rate at which the total osmotic solutes increase, but this appears to be a response to the increased growth rate, inasmuch as the auxin effect is eliminated when growth is inhibited osmotically. When sections are incubated in sucrose or in 10 millimolar NaCl, the osmotic concentration increases until a plateau is reached after 8 to 24 hours. Auxin has no effect on the initial rate of increase in osmotic concentration. This difference in steady-state osmotic concentration is, in part, a response to auxin itself, as it persists when auxin-induced growth is inhibited osmotically. The upper limit for osmotic concentration does not appear to be determined by the turgor pressure, inasmuch as a combination of sucrose and NaCl gave a ...
We find instanton/cosmological solutions with biaxial Bianchi-IX symmetry, involving nontrivial spatial dependence of the CP{sup 1}-CP{sup 2}-sigma-models coupled to gravity. Such manifolds arise in N = 1, d 4 supergravity with supermatter actions and hence the solutions can be embedded in supergravity. There is a natural way in which the standard coordinates of these manifolds can be mapped into the four-dimensional physical space. Due to its special symmetry, we start with CP{sup 2} with its corresponding scalar ansatz; this further requires the spacetime to be SU(2) x U(1)-invariant. The problem then reduces to a set of ordinary differential equations whose analytical properties and solutions are discussed. Among the solutions there is a surprising, special family of exact solutions which owe their existence to the nontrivial topology of CP{sup 2} and are in 1-1 correspondence ...
We find instanton/cosmological solutions with biaxial Bianchi-IX symmetry, involving nontrivial spatial dependence of the CP"1-CP"2-sigma-models coupled to gravity. Such manifolds arise in N = 1, d 4 supergravity with supermatter actions and hence the solutions can be embedded in supergravity. There is a natural way in which the standard coordinates of these manifolds can be mapped into the four-dimensional physical space. Due to its special symmetry, we start with CP"2 with its corresponding scalar ansatz; this further requires the spacetime to be SU(2) x U(1)-invariant. The problem then reduces to a set of ordinary differential equations whose analytical properties and solutions are discussed. Among the solutions there is a surprising, special family of exact solutions which owe their existence to the nontrivial topology of CP"2 and are in 1-1 correspondence with matter-free ...
In the framework of the search for a ceramic material usable in the radioactive waste storage, uranium and thorium phosphates have been investigated. Their experimental synthesis conditions have been entirely reviewed, they lead to the preparation of four new compounds: U(UO{sub 2})(PO{sub 4}){sub 2}, U{sub 2}O(PO{sub 4}){sub 2}, UCIPO{sub 4}, 4H{sub 2}O, and Th{sub 4}(PO{sub 4}){sub 4}P{sub 2}O{sub 7}. Experimental evidenced are advanced for non existent compounds such as: U{sub 3}(PO{sub 4}){sub 4}, U{sub 2}O{sub 3}P{sub 2}O{sub 7} and Th{sub 3} (PO{sub 4}){sub 4}. Characterization by several techniques (X-rays and neutron powder diffractions, UV-Visible and Infra-red spectroscopies, XPS,...) were performed. The ab initio structure determination of U(UO{sub 2})(PO{sub 4}){sub 2} has been achieved by X-rays and refined by neutron diffractions. Through its physico-chemical analysis, we found that this compound was a new mixed valence uranium phosphate in which ...
Approximately 65% of PSI structures report some type of ligand(s) that is bound in the crystal structure. Here, a description is given of how such ligands are handled and analyzed at the JCSG and a...Full Text Available
Studies of the antigenic structure of the polysaccharide component of gonococcal lipopolysaccaride (LPS) indicated that the non-serogroup antigen structure is antigenically heterogeneous. Immunodiffusion...Full Text Available
The (simplified) Backus? Problem (BP) consists in finding a harmonic function u on the domain exterior to the three dimensional unit sphere S, such that u tends to zero at infinity and the norm of the gradient of u takes prescribed values g on S. Except for a change of sign, the solution is not unique in general. However, there is uniqueness of solutions in the class of functions with the additional property that the radial component of the gradient of u on S is nonpositive. This is the geodetically relevant case. If a solution u with this property exists, then u is the maximal solution of the problem (and -u the minimal one). In this paper we propose a method of successive approximations to get this particular solution of BP and prove the convergence for functions g close to a constant fu...
Hydrothermal oxidation (HTO) is a promising technology for the treatment of aqueous-fluid hazardous and mixed waste streams. Waste streams identified as likely candidates for treatment by this technology are primarily aqueous fluids containing hazardous organic compounds, and often containing inorganic compounds including radioisotopes (mixed wastes). These wastes are difficult and expensive to treat by conventional technologies (e.g. incineration) due to their high water content; in addition, incineration can lead to concerns related to stack releases. An especially attractive potential advantage of HTO over conventional treatment methods is the total containment of all reaction products within the overall system. The potential application of hydrothermal oxidation (HTO) technology for the treatment of DOE hazardous or mixed wastes has been uncertain due to concerns about safe and efficient operation of the technology. In principle, aqueous DOE wastes, including hazardous an d mixed ...
The crystal structure, electronic structure, and photoluminescence properties of EuxSi6-zAlz-xOz+xN8-z-x (x=0-0.1, 0xMySi6-zAlz-x-yOz+x+yN8-z-x-y (M=2Li, Mg, Ca, Sr, Ba) have been studied. Single-phase EuxSi6-zAlz-xOz+xN8-z-x can be obtained in very narrow ranges of x?0.06 (z=0.15) and z2+ ions can be incorporated into nitrogen-rich Si6-zAlzOzN8-z. The Eu2+ ion is found to occupy the 2b site in a hexagonal unit cell (P63/m) and directly connected by six adjacent nitrogen/oxygen atoms ranging 2.4850-2.5089 A. The calculated host band gaps by the relativistic DV-X? method are about 5.55 and 5.45 eV (without Eu2+ 4f5d levels) for x=0 and 0.013 in EuxSi6-zAlz-xOz+xN8-z-x (z=0.15), in which the top of the 5d orbitals overlap with the Si-3s3p and N-2p orbitals within the bottom of the conduction band of the host. EuxSi6-zAlz-xOz+xN8-z-x shows a strong green emission with a broad Eu2+ band centered at about 530 nm under UV to near-UV excitation range. ...
The results of the thermo-hydro-mechanical (THM) study of the FEBEX bentonite performed during FEBEX II are presented. The laboratory test program continued in part with the works carried out during FEBEX I, particularly in activities related to tests aimed to the calibration of the models, the acquisition of parameters by back-analysis and the improvement of the knowledge on the behaviour of expansive clays. But the program has also included tests on new areas: investigations about the influence of the microstructure changes in bentonite, of temperature and of the solute concentration on the behaviour of clay. Besides, several tests were proposed in order to understand the unexpected behaviour observed in the mock-up test, towards the end of year 2. Temperature effects on water retention curves in confined and unconfined conditions were determined, and swelling pressure, hydraulic conductivity and swelling and consolidation strains as a function of temperature ...
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The official name of this gene is "solute carrier family 25 (mitochondrial carrier; adenine nucleotide translocator), member 4." SLC25A4 is the gene's official symbol. The...
We study the role of rolling tachyons in the cosmological model with dilatonic gravity. In the string frame, flat space solutions of both initial-stage and late-time are obtained in closed form. In the Einstein frame, we show that every expanding solution is decelerating.
Finely divided ash-containing coal is immersed in an aqueous solution of hydrochloric acid or citric acid, and acidic ammonium fluoride to cause the ash to react with the acid and the acidic ammonium fluoride, and the deashed coal is thereafter separated from the solution.
A thin-film evaporator requires only a short heating time to concentrate a solution since it has a high thermal efficiency and has a small capacity. Thus, the chemical industry often uses this type of evaporator for concentrating materials that are subjec...
Platinized cadmium sulfide powder suspended in a solution of sodium sulfite produces hydrogen efficiently by visible light. Sulfite ions are oxidized to sulfate and dithionate ions. 4 figures.
A process for the recovery of nitrilotriacetic acid values from solutions containing polyvalent metal complexes of nitrilotriacetic and the decomposition products thereof is described, the process being characterized by the addition to such solutions of sufficient strong acid to dissociate the complex under conditions to precipitate the nitrilotriacetic acid.
In this paper, we report a method of precise in situ x-ray scattering measurements on protein solutions using small stationary sample cells. Although reduction in the radiation damage...Full Text Available
The estimation of numerical values of the mean distance of closest approach of ions, a, of alkaline-earth metal ion salts in aqueous solutions, determined from activity coefficients, as well as from different theoretical approaches, is presented and discussed.
Severance of the ureter beyond the renal papilla causes a fall in urinary osmolality, which suggests that exchange of water or solute between urine and renal parenchyma normally occurs in the intact...Full Text Available
Previously we reported that standard oral rehydration salts (ORS) solution is not as effective as a reduced-osmolarity glucose-based ORS for the treatment of children with acute noncholera diarrhoea:...Full Text Available
The effect of associative interactions of monomers and propagating macroradicals in homopolymerization of N-[3-(dimethylamino)propyl]methacrylamide salts and their copolymerization with acrylonitrile and acrylamide in aqueous solution was studied.
The applicability of two nuclear analytical methods: radionuclide X-ray fluorescence analysis and radiometric titrations based on precipitate formations was studied in order to determine the heptacaine hydrochloride in solutions. The applied methods were evaluated based on the obtained sensitivity values.
The applicability of two nuclear analytical methods: radionuclide X-ray fluorescence analysis and radiometric titrations based on precipitate formations was studied in order to determine the heptacaine hydrochloride in solutions. The applied methods were evaluated based on the obtained sensitivity values. (author).
This paper hopes to share the insights we experienced during designing, building, and running an indexing solution for a large set of radiological reports and images in a production environment for...Full Text Available
Concentration of an amine solution for removal of hydrogen sulfides and carbon dioxide from natural gas, is tested by carbon dioxide absorption measurement in an apparatus allowing complete reaction to give reliable results.
The conformation of d (CG)n oligomers with n = 2,3 has been studied in aqueous solution in the presence of high salt concentration. A minimum n value of three is necessary to obtain a left-handed Z-helix....Full Text Available
The effects of the time and temperature of alkaline pretreatment and the time and temperature of the carboxymethylation of peat in 2-propanol on the concentration of carboxymethyl groups and the solubility of the resulting products in water and an aqueous alkali solution were studied. The viscosity characteristics of the aqueous and aqueous alkaline solutions of peat carboxymethylation products were studied.
To assess the effects of increasing the mineral content of parenteral nutrition solutions on the biochemical and radiological indicators of metabolic bone disease of prematurity 27 neonates who required...Full Text Available
The antibacterial activity of aqueous solutions of paraformaldehyde in concentrations from 0.1 to 0.4% (w/v) is bacteriostatic rather than bactericidal in the presence or absence of ammonium chloride....Full Text Available
Techniques for studying nuclear structure are reviewed. Examples are given of charge density determinations by electron and proton inelastic scattering. (AIP)
The rare earth metal rich compounds RE4NiMg (RE=Y, Pr-Nd, Sm, Gd-Tm, Lu) were synthesized from the elements in sealed tantalum tubes in an induction furnace. All compounds were investigated by X-ray diffraction on powders and single crystals: Gd4RhIn type, space group F4-bar 3m, Z=16, a=1367.6(2) pm for Y4NiMg, a=1403.7(3) pm for Pr4NiMg, a=1400.7(1) pm for Nd4NiMg, a=1386.5(2) pm for Sm4NiMg, a=1376.1(2) pm for Gd4NiMg, a=1362.1(1) pm for Tb4NiMg, a=1355.1(2) pm for Dy4NiMg, a=1355.2(1) pm for Ho4NiMg, a=1354.3(2) pm for Er4NiMg, a=1342.9(3) pm for Tm4NiMg, and a=1336.7(3) pm for Lu4NiMg. The nickel atoms have trigonal prismatic rare earth coordination. These NiRE6 prisms are condensed via common edges to a three-dimensional network which leaves voids for Mg4 tetrahedra and the RE1 atoms which show only weak coordination to the nickel atoms. The single crystal data indicate two kinds of solid solutions. The RE1 positions reveal small RE1/Mg mixing and some ...
We apply the group theory to Kadomtsev-Petviashvili-Burgers (KPBII) equation which is a natural model for the propagation of the two-dimensional damped waves. In correspondence with the generators of the symmetry group allowed by the equation, new types of symmetry reductions are performed. Some new exact solutions are obtained, which can be in the form of solitary waves and periodic waves. Specially, our solutions indicate that the equation may have time-dependent nonlinear shears. Such exact explicit solutions and symmetry reductions are important in both applications and the theory of nonlinear science.
In order to remove ash from coal, it is introduced into an aqueous ash removal solution, which contains nitric acid or citric acid and ammonium hydrogen fluoride. The coal without ash is then separated from the aqueous solution. According to the process, either finely ground coal is introduced into the ash removel solution or the coal with the solution is ground in a wet pulveriser.
Drell-Yan pair production is investigated. We reexamine a model where the quark momentum fraction is defined as the ratio of the corresponding light-cone components of the quark and parent nucleon in a naive parton-model approach. It is shown that the results differ from the standard parton model. This is due to unphysical solutions for the momentum fractions within the naive approach which are not present in the standard parton model. In a calculation employing full quark kinematics, i.e., including primordial quark transverse momentum, these solutions also appear. A prescription is given to handle these solutions in order to avoid incorrect results. The impact of these solutions in the full kinematical approach is demonstrated and compared to the modified result.
This paper describes an exact solution to the problem of absorbing nitrogen dioxide into aqueous solution, in which case the nitrogen dioxide concentration is allowed to vary over a wide range. The authors have worked on the rate of calcium sulfate dihydrate scale formation on the reverse osmosis membrane and find this phenomena can be treated by the crystallization theory. The authors performed long-term experiments using calcium sulfate dihydrate solution with addition of sodium hexametaphosphate (SHMP) and commercially available organophosphates and investigated the mechanism of the inhibitor's action quantitatively.
Possibilities of applying the Pb/sup 203/ isotonic solution without a carrier as a label of blood erythrocytes, are found. There is a number of advantages in the Pb/sup 203/ isotonic solution without a carrier, such as a high label efficiency (above 95%), a short half-life (52 hours), and a low radiation dose. These factors prove to be favourable as compared with Cr/sup 51/ widely used for these purposes. Besides, of all preparations used up to now to treat erythrocytes and to scan the spleen, it is only in the case of Pb/sup 203/ isotonic solution without a carrier that no weight amounts of chemical substances do not enter the organism.
The authors propose a drilling solution for use in caving-prone rock formations. This solution contains clay, hydrolized polyacrylonitrile, and water. In order to improve the solution's inhibitive properties during high-temperatures, azodicarbonamide (the blowing agent ChKhZ-21) is introduced in adequate quantities. The solution's makeup is as follows, given by percentage of weight,-- Clay 5-8%; hydrolized polyacrylonitrile 0.1-0.5%; azodicarbonamide (the blowing agent ChKhZ-21) 1-3%, with the remainder being water.
A packed column was used for investigating the desorption rate of CO{sub 2} from aqueous methyldiethanolamine (MDEA) and activated MDEA solutions. Experiments were conducted within the temperature range 30--70 C, the concentration of MDEA was 4.28 kmol/m{sup 3}, and the concentration of piperazine (PZ) was 0.10 kmol/m{sup 3} for aqueous activated MDEA solutions. Experimental data confirmed that the kinetics model of absorption CO{sub 2} into aqueous MDEA and activated MDEA solutions can be applicable to the situations in which desorption occurs, and the desorption rate of model predictions agree well with that of experimental determination.
A comparative study has been performed to compare the 30 wt% of 2-amino-2-methyl-1-propanol (AMP) aqueous solution and 30 wt% of methyldiethanol amine (MDEA) aqueous solution to capture carbon dioxide contained in the flue gas stream. The equilibrium constants for each electrolyte reactions have been used to estimate the carbon dioxide absorption process. Henry's constants for each binary pairs between solute gases and solvent have been used to estimate solubility of the gas components.