Laser direct-write etching of the refractory metals Mo and W was developed using reactions in chlorine and nitrogen trifluoride vapors. Rate and high spatial resolution are simultaneously optimized using a two-vapor halogenation/development sequence, based on surface modification. Local-area laser chlorination of the metal surface is used to predispose areas to subsequent bulk etching.
Metam sodium (metam) is a widely used soil fumigant. Combined application of metam and other available fumigants is intended to produce synergic pesticidal effects for a broad spectrum of pest control in soil fumigation. This study aimed to test the compatibility of metam with the halogenated fumigants 1,3-dichloropropene (1,3-D), chloropicrin, methyl bromide, methyl iodide and propargyl bromide. Halogenated fumigants and metam were spiked simultaneously into organic solvents, water and moist soils, and metam-induced degradation of these halogenated chemicals was evaluated. In all three media, the halogenated fumigants were incompatible with metam and degraded via rapid chemical reactions. The degradation rate varied with halogenated fumigant species and increased as the amount of metam present was increased. In moist soil, 15-95% of the ...
'The interactions of carbon tetrachloride with strongly basic oxides and hydroxides have been studied by several techniques in order to understand the surface reactions and the subsequent bulk reactions that result in the destruction of the chlorinated hydrocarbon. Emphasis has been placed on understanding the surface phases, as well as the bulk phases, that are present during these transformations. As a result of the study with barium oxide, a reaction cycle has been demonstrated that may have practical significance in the removal of chlorinated hydrocarbons.'
Several series of pyrimidine nucleosides were evaluated as part of a larger program to develop non-invasive brain imaging agents. The interaction of these antitumor/antiviral nucleosides with an NBMPR-sensitive murine erythroctye nucleoside transporter was evaluated by determining their inhibitory effect (K_i) on zero-trans influx of thymidine. Within each series of compounds, which had F, Cl, Br or I as halogen substituents, an increase in size of the halogenatom or a decrease in electronegativity decreased affinity for the transporter. Partition coefficients (P) of these pyrimidine nucleosides were measured to determine their potential to diffuse across the blood-brain-barrier (BBB). Most of the pyrimidine nucleosides had lower P values (log P < 0.9), and were considered to be poor candidates for simple diffusion across the BBB, although an active BBB transport mechanism for some nucleosides could be operative. For a ...
We have demonstrated in this work (1) that methane is readily activated at mild conditions (100{degree}C, 1 torr) over a relatively noble metal, Pd. This was observed using a stepped and kinked Pd(679) crystal (1), and other crystal faces are now being investigated to establish whether the cracking of the C-H bond of methane on Pd is structure sensitive or structure insensitive. Oxygen chemisorption is extremely structure sensitive: weakly bonded, highly reactive oxygen overlayers form on Pd(100) surface (2), while strongly bonded, moderately reactive oxygen overlayers form on Pd(111) and Pd(679). Reaction of the weakly bonded oxygen with surface carbide gives rise to CO{sub 2} over clean Pd(100) but to CO over halogen-doped Pd(100) (3--5). The effect of halogens is primarily ensemble-controlling, or oxygen-supply restricting, but long range influence of surface Cl on the strength of the Pd-O bond has also been observed ...
We have demonstrated in this work (1) that methane is readily activated at mild conditions (100[degree]C, 1 torr) over a relatively noble metal, Pd. This was observed using a stepped and kinked Pd(679) crystal (1), and other crystal faces are now being investigated to establish whether the cracking of the C-H bond of methane on Pd is structure sensitive or structure insensitive. Oxygen chemisorption is extremely structure sensitive: weakly bonded, highly reactive oxygen overlayers form on Pd(100) surface (2), while strongly bonded, moderately reactive oxygen overlayers form on Pd(111) and Pd(679). Reaction of the weakly bonded oxygen with surface carbide gives rise to CO[sub 2] over clean Pd(100) but to CO over halogen-doped Pd(100) (3--5). The effect of halogens is primarily ensemble-controlling, or oxygen-supply restricting, but long range influence of surface Cl on the strength of the Pd-O bond has also been observed ...
An 'electron-bridge' mechanism of nuclear reaction in an atom or ion by ultra-intense laser fields is presented. A preliminary estimate of the intensity dependence of the rate of disintegration reaction of deuteron nucleus in deuterium atom is made for 800 nm laser fields. For intensities below 5x1021 W/cm2, the rate of disintegration by the 'electron-bridge' mechanism is found to be small, but it rises sharply and becomes large already for ?1022 W/cm2.
Porcine pancreatic lipase immobilized on celite particles has been employed as a catalyst for the esterification of dodecanol and decanoic acid in a predominantly organic system. Solvent influence on the equilibrium position and on the catalyst activity has been studied using 20 solvents, including aliphatic and aromatic hydrocarbons, ethers, ketones, nitro- and halogenated hydrocarbons, and esters. The equilibrium constant for esterification correlates well with the solubility of water in the organic solvent, which in turn shows a good relationship with a function of Guttman's donor number and the electron pair acceptance index number of the solvent. This may be rationalized in terms of the requirements for solvation of water and of the reactants. The catalyst activity, measured as the initial rate of the esterification reaction, is best correlated as a function of both n-octanol-water partition coefficient (log P) and either the electron pair ...
The change in the concentration of hydrogen peroxide in the course of its decomposition was shown, catalyzed by 0.02 M PbI/sub 2/, 0.03 M CuI, 0.02 M KI, 0.02 M FeSo/sub 4/, 6 M HCl, and 1 M HCL + 2 M H/sub 2/SO/sub 4/ at 25 C. It was suggested that in the process of the catalytic decomposition at the initial stage of the reaction, the formation of an intermediate active species containing positively charged halogen occurs; depending on the oxidative power of the counterion, the relative proportions of the hydrogen peroxide decomposing under the action of either the cation or the anion varied.
24 isotopes of astatine element 85, are known today, three of which occur naturally as decay products of "2"1"5U and "2"5"8U, respectively. Because these isotopes being very short-lived, all experiments dealing with this heaviest element of the halogen group need be done with "2"0"9"-"2"1"1At, having half-lifes in the several hours region. Mixtures of them may be obtained either by #alpha#-bombardment (E#alpha# approximately 30-50 MeV) of "2"0"9Bi or as spallation products by the reaction of high-energy protons with thorium and uranium targets. - In its chemical reactions astatine shows a behaviour which is between an halogen and a metal. The following oxidation states have been shown to exist: -1, 0, +1, +5 and +7. At"-, AtO_2"- and AtO_4"- are the ionic species for At(-I), At(+V) and At(+VII) whereas no definite species have been established for the other oxidation states. Furthermore, At_2 could not ...
Three abiotic systems are described that catalyze the reductive dehalogenation of heavily halogenated environmental pollutants, including carbon tetrachloride, trichloroethene, and perchloroethene. These systems include (a) an electrolytic reactor in which the potential on the working electrode (cathode) is fixed by using a potentiostat, (b) a light-driven system consisting of a semiconductor and (covalently attached) macrocycle that can accept light transmitted via an optical fiber, and a light-driven, two-solvent (isopropanol/acetone) system that promotes dehalogenation reactions via an unknown mechanism. Each is capable of accelerating reductive dehalogenation reactions to very high rates under laboratory conditions. Typically, millimolar concentrations of aqueous-phase targets can be dehalogenated in minutes to hours. The description of each system includes the elements of reaction mechanism (to the ...
Enzyme kinetic studies from this laboratory (M. Dobersen and S. Greer, Biochemistry 17:920-928, 1978) suggested that deoxycytidine could antagonize the toxicity of 5-halogenated analogs of deoxycytidine...Full Text Available
Although the outer surface of single-walled carbon nanotubes (atomically thin cylinders of carbon) can be involved in a wide range of chemical reactions, it is generally thought that the interior surface of nanotubes is unreactive. In this study, we show that in the presence of catalytically active atoms of rhenium inserted into nanotubes, the nanotube sidewall can be engaged in chemical reactions from the inside. Aberration-corrected high-resolution transmission electron microscopy operated at 80?keV allows visualization of the formation of nanometre-sized hollow protrusions on the nanotube sidewall at the atomic level in real time at ambient temperature. Our direct observations and theoretical modelling demonstrate that the nanoprotrusions are formed in three stages: (i) metal-assisted d...
Ozone plays a critical role in both the chemistry and radiation balance of the troposphere. Understanding the factors controlling tropospheric ozone levels is critical to our understanding of a variety of issues in global chemistry and climate change. Chlorine atoms have the potential to contribute significantly to the ozone balance in the free troposphere. They can react directly with ozone or alternately, with organics and may actually lead to the formation of ozone in the presence of sufficient NO. Reactions of alkali halides in sea salt particles are a potential source of atomic chlorine, hence reactions of these alkali halides, especially those producing precursors to atomic chlorine, are of great interest. Finally, the mechanisms, intermediates and products of the Cl-biogenic reactions are unknown; these could serve as unique markers of chlorine ...
A process is claimed for selectively preparing a mixture of two-carbon atom oxygenated hydrocarbons, namely, acetic acid, ethanol and acetaldehyde, by continuously contacting a gaseous reaction mixture containing hydrogen and carbon monoxide with a solid catalyst comprising rhodium in combination with one or more alkali metals selected from the group consisting of lithium, potassium, cesium and rubidium at reaction conditions correlated so as to favor the formation of a substantial proportion of such two-carbon atom products.
The palladium(II) and platinum(II)complexes(where, (M(L){sub 2}X{sub 2}), M=Pd(II), Pt(II); L=isoxazole (isox), 3, 5-dimethylisoxazole(3, 5-diMeisox), 3-methyl, 5-phenylisoxazole(3-Me, 5-Ph-isox), and 4-amino-3, 5-di-methylisoxazole (4-ADI); X=Cl, Br) with isoxazole and its derivatives were investigated on antitumor activity by MM2 and EHMO calculation. Because for all the complexes the {sigma}MO energy level (E{sub {sigma}}{sub (M-X)} between d{sub x}{sup 2}{sub -y}{sup 2} orbital of central metal and p{sub x} orbital of halogenatom is less than {sigma}MO energy level E{sub {sigma}}{sub (M-N)} between d{sub x}{sup 2}{sub -y}{sup 2} orbital of central metal and p{sub x} orbital of N atom, without exception. And judging, from the lower E{sub {sigma}}{sub (M-X)} value in trans, the bonding strength was found to be weaker in trans isomer than in cis. For the Pd(II) and Pt(II) complexes which have planar ligands, it was shown ...
Based on results from recent studies of elemental dietary intake and organ or tissue content for adult Chinese men, quoted nationwide elemental concentrations in Chinese soil and newly published national average consumption of dietary foods, values of both transfer coefficients and discrimination factor (DF) for transfer from soil via the diet to both critical organs and the whole body have been calculated for important elements in radiation protection, including alkaline earths, alkali metals, rare earths and other related elements. These calculations have used both the United Nations Scientific Committee on the Effects of Atomic Radiation (UNSCEAR) model and the DF method. In the UNSCEAR model, the basic parameters used to describe the transport of radionuclides are the transfer coefficients P_i_j, which describe the relationship of concentrations or other amounts between compartment i and the following compartment j, whereas the DF is the ratio between the ...
The activated charcoal treatment in the field of the water treatment is applied to water supply, sewage, industrial water supply and industrial sewage, etc.. Its main treatment effects are (1) decolorization, (2) removal of odorous substance, (3) removal of organic material which is detected as COD or BOD, (4) removal of harmful substance, (5) removal of substance which could generate muddness and tarnish and (6) removal of organic material which affects the succeeding high degree treatment badly, etc.. Many actual application examples in the above fields have been reported. As the most recent topic, a big amount of the demand of activated charcoal is expected in the treatment of water supply. Chlorine which is used as disinfectant during the water purification process generates organic halogen compounds such as trihalomethane through the reaction with precursor such as humic acid. The countermeasure therefore is being developed in the ...
A process is claimed for selectively preparing alpha-olefins having from 2 to about 22 carbon atoms by contacting a gaseous mixture containing carbon monoxide and hydrogen with an iron titanate alkali metal hydroxide catalyst at reaction conditions correlated so as to favor the formation of a substantial proportion of such alpha-olefin product.
A solid electrolyte cell comprises an alkali metal anode, e.g. lithium, a halogen-containing organic polymer cathode and a solid elecrolyte between the anode and the cathode. The cathode comprises iodine-containing vacuum-cyclised polyacrylonitrile, and the solid electrolyte is preferably lithium iodide and halogen-free vacuum-cyclised polyacrylonitrile. This patent also discloses the use of isotactic polyacrylonitrile, a method of making a cathode comprising iodine-containing vacuum-cyclised polyacrylonitrile, and novel methods of making the solid elecrolyte cells described.
Atomic oxygen is measured in a pulsed dielectric barrier discharge (DBD) using two-photon absorption laser-induced fluorescence (TALIF). The ground-level atomic oxygen is excited to the 3p "3P state by two-photon absorption at 226 nm. Negative (-40 kV) or positive (+30 kV) pulsed DBD occurs in an O_2-N_2 mixture at atmospheric pressure. The pulse width of the DBD current is approximately 50 ns. The TALIF experiment shows that the decay rate of atomic oxygen increases linearly with O_2 concentration. This result proves that atomic oxygen decays mainly by the third-body reaction, O + O_2 + M #-># O_3 + M. The rate coefficient of the third-body reaction is estimated to be 2.2 x 10"-"3"4 cm"6 s"-"1 in the negative DBD and 0.89 x 10"-"3"4 cm"6 s"-"1 in the positive DBD. It is shown that the decay rate of atomic oxygen increases linearly with ...
This invention relates to polyalkylenes which contain both halogen and ester groups, to the preparation thereof, and to the use thereof as pour depressants for fuel oils. This invention also relates to polyalkylene esters.
Recent field observations have shown that the atmospheric plumes of quiescently degassing volcanoes are chemically very active, pointing to the role of chemical cycles involving halogen species and...Full Text Available
Projectilelike fragments following the 80 MeV /sup 16/O+/sup 27/Al reaction have been detected using a Bragg-curve spectroscopy ionization chamber (BCS-IC). The atomic number is deduced from the Bragg-peak amplitude. Nitrogen isotopes are clearly resolved using either range or energy loss data. This is the first application of the BCS method for complete ion identification in a heavy-ion-induced reaction.
Projectilelike fragments following the 80 MeV "1"6O+"2"7Al reaction have been detected using a Bragg-curve spectroscopy ionization chamber (BCS-IC). The atomic number is deduced from the Bragg-peak amplitude. Nitrogen isotopes are clearly resolved using either range or energy loss data. This is the first application of the BCS method for complete ion identification in a heavy-ion-induced reaction.
Nuclear astrophysics seeks for a possible explanation of the observed abundance distribution of various elements and their isotopes in the universe. Most of the relevant nuclear reactions take place in thermally equilibrium environments with bare nuclei, rather than accelerated and head-on colliding situations with low ionisation states of reactant atoms and molecules that are emulated in the laboratories. Moreover, the temperature of the astrophysical environments is quite often low compared to the centre-of-mass energy of the projectile nuclides, that is required for the reaction to be meaningfully investigated in the laboratory. Therefore, an extrapolation of the data on the reaction cross sections to very low energies and to extremely high density situations is generally called for, which are substantially altered every now and then for a number of astrophysically important ...
Schemata for modelling combustion processes do not yet include reaction rates for oxygenated fuels like methylal (DMM) which is considered as an additive or replacement for diesel due to its low sooting propensity. Density functional theory (DFT) studies of the possible reaction pathways for different dissociation steps of methylal are presented. Cleavage of a hydrogen bond to the methoxy group or the central carbon atom were simulated at the BLYP/6-311++G{sup **} level of theory. The results are compared to the experiment when dissociating and/or ionising DMM with femtosecond pulses. (author) 1 fig., 1 tab., 1 ref.
In 1977 and 1978, workers at Idaho National Engineering Laboratory (INEL) developed and tested a process for the regeneration and reuse of silver mordenite, AgZ, used to trap iodine from the dissolver off-gas stream of a nuclear fuel reprocessing plant. We were requested by the Airborne Waste Management Program Office of the Department of Energy to perform a confirmatory recycle study using repeated loadings at about 150/sup 0/C with elemental iodine, each followed by a drying step at 300/sup 0/C, then by iodine removal using elemental hydrogen at 500/sup 0/C. The results of our study show that AgZ can be recycled. There was considerable difficulty in stripping the iodine at 500/sup 0/C.; however, this step went reasonably well at 550/sup 0/C or slightly higher, with no apparent loss in the iodine-loading capacity of the AgZ. Large releases of elemental iodine occurred during the drying stage and the early part of the stripping stage. Lead zeolite, which was employed in the original ...
The gas-phase reaction of benzene with O(3P) is of considerable interest for modeling of aromatic oxidation, and also because there exist fundamental questions concerning the prominence of intersystem crossing in the reaction. While its overall rate constant has been studied extensively, there are still significant uncertainties in the product distribution. The reaction proceeds mainly through the addition of the O atom to benzene, forming an initial triplet diradical adduct, which can either dissociate to form the phenoxy radical and H atom, or undergo intersystem crossing onto a singlet surface, followed by a multiplicity of internal isomerizations, leading to several possible reaction products. In this work, we examined the product branching ratios of the reaction between benzene and O(3P) over the temperature range of 300 to 1000 K and ...
Detailed chemical kinetic reaction mechanisms are developed for combustion of all nine isomers of heptane (C{sub 7}H{sub 16}), and these mechanisms are tested by simulating autoignition of each isomer under rapid compression machine conditions. The reaction mechanisms focus on the manner in which the molecular structure of each isomer determines the rates and product distributions of possible classes of reactions. The reaction pathways emphasize the importance of alkylperoxy radical isomerizations and addition reactions of molecular oxygen to alkyl and hydroperoxyalkyl radicals. A new reaction group has been added to past models, in which hydroperoxyalkyl radicals that originated with abstraction of an H atom from a tertiary site in the parent heptane molecule are assigned new reaction sequences involving additional ...
Ion beams of halogens can be produced either positively or negatively charged, depending on the employed ion source. At CERN-ISOLDE, although positively charged fluorine and astatine can be obtained from a hot plasma ion source, they are often contaminated by isobars and molecular sidebands. This has generated a request from the scientific community for fluorine and astatine negative ion beams free of contaminants. The high selectivity ensured by the surface ionisation process also makes negative beams of chlorine, bromine and iodine highly attractive. However, the efficiency figures for negative surface ionisation of fluorine and astatine were lower than the ones from the hot plasma. Here we report our R and D on new surface ion sources suitable for the production of negative halogen beams.
Dissociative electron capture to CCl_4 is studied by measuring the angular and velocity distribution of Cl"- ions produced in collisions with velocity selected K(np) Rydberg atoms. Analysis of the data using a Monte Carlo collision code that models the detailed kinematics of the reaction indicates that the lifetime of the CCl_4"- intermediate formed by Rydberg electron capture is 7.5 #+-# 2.5 ps and that, upon dissociation, only a small fraction of the excess energy of reaction appears as translational energy of the Cl"- and CCl_3 fragments. The present approach is one of the few experimental techniques yet devised that can probe the lifetimes of collisionally-produced excited states on a picosecond timescale, and demonstrates that Rydberg atoms provide a unique tool with which to investigate the dynamics of dissociative electron attachment. Measurements are being extended to additional species, ...
The development of detailed chemical kinetic reaction mechanisms for oxidation of n-octane and iso-octane is described, with emphasis on the factors which are specific to many large hydrocarbon fuel molecules. Elements which are of particular importance are found to include site-specific abstraction of H atoms, radical isomerization of alkyl radicals by internal H atom abstraction, and rapid ..beta..-scission of the alkyl radicals. These features, combined with distinctions in the types of intermediate olefin species produced, are used to explain the significant differences in the rate of oxidation between n-octane and iso-octane. Experimental results from the turbulent flow reactor and low pressure laminar flames, using both n-octane and iso-octane as fuels, are used to test the reaction mechanisms and indicate those parts of the total mechanisms which are in greatest need of further development and ...
A method of treating bitumina and allied substances of asphaltose character includes heating the material to be treated with up to 25% of its weight of a substance of the group consisting of vegetable and animal oils and fats and fatty acids. The resulting material is heated to a temperature of about 250/sup 0/C under sufficient pressure to prevent the material escape of sulfur dioxide from the reaction mixture in the presence of a substance of the group consisting of inorganic acids of sulfur containing at least 4 oxygen atoms and their anhydrides. The heating is continued until there is no free acid left in the reaction mass.
Metalloid cluster compounds of group 14 of the general formulae EnRm with n > m (E = Si, Ge, Sn, Pb; R = ligand), where naked as well as ligand bound tetrel atoms are present, represent a novel class of cluster compounds in group 14 chemistry and can be seen as intermediates on the way to the elemental state. Therefore, interesting properties are expected for these compounds, which might complement results from nanotechnology. In this article, first results for germanium are discussed, together with novel build-up reactions on the way to novel materials based on metalloid cluster compounds. GRAPHICAL ABSTRACT[image omitted
Despite the rapid development of literature pertaining to fundamental (1-4) studies of oxidation catalysis, a general theory of heterogeneous selective oxidation catalysis explaining the selectivity behavior of different metal oxide systems has not yet been developed. Redox mechanisms have been widely invoked in the kinetic and mechanistic descriptions of selective oxidation reactions, suggesting a dynamic behavior of hydrocarbon and oxygen interactions with the catalyst surface. Nevertheless, most of the recent theoretical approaches of this subject matter (5-7) are essentially static in nature. Correlations are made with surface structure on the basis of crystallographic considerations with selectivity being related to the nature, number, bond-strength and nearness of oxygen atoms in the neighborhood of adsorption centers. The effect of the reaction medium on the configuration of the catalyst surface, and thus its ...
The synthesis and degradation of anthropogenic and natural organohalides are the basis of a global halogen cycle. Chlorinated hydroquinone metabolites (CHMs) synthesized by basidiomycete fungi and present...Full Text Available
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.
Despite their structural resemblance, a pair of cyclic halogenated compounds, 1-chloro-1,2,2-trifluorocyclobutane (F3) and 1,2-dichlorohexafluorocyclobutane (F6), exhibit completely different anesthetic...Full Text Available
Sphingomonas (formerly Pseudomonas) paucimobilis UT26 utilizes γ-hexachlorocyclohexane (γ-HCH), a halogenated organic insecticide,...Full Text Available
Sphingomonas (formerly Pseudomonas) paucimobilis UT26 utilizes γ-hexachlorocyclohexane (γ-HCH), a halogenated organic insecticide,...Full Text Available
Abstract Series of typical -type and pseudo--type halogen-bonded complexes BClY and BBrY and hydrogen-bonded complex BHY (B = C2H4, C2H2, and C3H6; Y = F, Cl, and Br) have been investigated using the MP2/aug-cc-pVDZ method. A striking parallelism was found in the geometries, vibrational frequencies, binding energies, and topological properties between BXY and BHY (X = Cl and Br). It has been found that the lengths of the weak bond d(X)/d(H), the frequencies of the weak bond (X)/(H), the frequency shifts (XY)/(HY), the electron densities at the bond critical point of the weak bonds c(X)/c(H), and the electron density changes c(XY)/c(HY) could be used as measures of the strengths of typical -type and pseudo--type halogen/hydrogen bonds. The typical -type and pseudo--type halogen bond and hyd...
Studied are the mechanical properties of welded joints and heat affected zones of the Kh8N10T steel and OT4 and VT1-2 titanium alloys on welding in Ar+deltaF_6 and Ar+CCl_2F_2 mixtures contributed to a decrease of porosity. Tensile and impact tests of welded joints have revealed that additions of sulfur hexafluoride into argon causes a decrease of impact strength in titanium alloy when the tensile strength does not depend on the composition of a halogen-containing atmosphere. Freon (CCl_2F_2) additions decrease only slightly the impact strength of the investigated alloys.
The results of the six meetings in the years 1976 through 1981 of the Panel on Reference Nuclear Data is reviewed, as well as the results of other studies and workshops. A brief review of how current programs are meeting the expressed nuclear data needs of professional groups is also presented. The types of data included in the review are reaction cross sections, isotopic abundances, atomic masses, nuclear structure, radioactive decay, and fission.
Selected neutron reaction nuclear data libraries and photon-atomic interaction cross section libraries for elements of interest to the IAEA's program on Fusion Evaluated Nuclear Data Library (FENDL) have been processed into MATXSR format using the NJOY system on the VAX4000 computer of the IAEA. This document lists the resulting multigroup data libraries. All the multigroup data generated are available cost-free upon request from the IAEA Nuclear Data Section. (author). 9 refs.
A method for the hydroconversion of coal by solvent treatment at elevated temperatures and pressure wherein an alcohol having an alpha -hydrogen atom, particularly a secondary alcohol such as isopropanol, is utilized as a hydrogen donor solvent. In a particular embodiment, a base capable of providing a catalytically effective amount of the corresponding alcoholate anion under the solvent treatment conditions is added to catalyze the alcohol-coal reaction.
This paper reports new formulas of adiabatic flame temperature. They are functionally expressed in terms of fuel/air ratio, reaction pressure, and the number of carbon atoms in the individual fuel. Among the fuels presently considered for the formulas are members of paraffin, aromatic and olefin families, acetylene, alcohols, and hydrogen.
A simple model is described to simulate kinetic processes in dielectric barrier discharges for O_2/NO_x mixtures. A threshold of ozone production found experimentally is confirmed by the calculations of this modeling, and the underlying chemical reaction mechanisms are discussed. It is also found that the effects of diffusion processes in the period of the lifetime of O atoms are not important to micro-discharge channels with a large radius, i.e. larger than 150 #mu#m
By treatment of ?-substituted acetylacetone derivatives with boron trifluoride etherate a series of earlier unknown boron difluoride complexes is obtained. The series includes binuclear complexes containing boron in the chelate fragment connected via sulfur or selenium atom. Gas chromatographic and spectral characteristics of the obtained compounds were investigated. By means of chromato-mass spectrometry their reaction with hydrazine in acidic and alkaline media was studied
The proposed active sites on the catalyst surface in heterogeneous propylene ammoxidation have been successfully modelled by structurally characterized pinacolato W(VI) tert-butylimido complexes. These compounds exist as an equilibrating mixture of amine-bis(imido) and imido-bis(amido) complexes, the position of this equilibrium is dependent on the electronic nature of the glycolate ligand. Both of the C-N bond-forming reactions proposed in recent studies by Grasselli et al. (1) have been reproduced using discrete Group VI d{sup 0} organoimido complexes under mild conditions suitable for detailed mechanistic studies. These reactions are: (1) oxidative trapping of radicals at molybdenum imido sites, and (2) migration of the allyl group from oxygen to an imido nitrogen atom.
A large area Bragg curve spectroscopy (BCS) detector and a position sensitive parallel grid avalanche counter have been developed to study heavy ion reactions, such as inelastic excitations and few nucleon transfer reactions near the Coulomb barrier. Reasonably good resolutions have been achieved for energy, atomic number and angle. A theoretical investigation on the mass dependence of the Bragg peak signal from the BCS detector, shows that there is a negligible mass dependence related to the geometry of the detector. The mass number of the heavy ions which cannot be obtained by the above method, has been identified by detecting the corresponding characteristic gamma rays from the product nuclei with two large solid angle gamma ray detectors. (orig.)
A large area Bragg curve spectroscopy (BCS) detector and a position sensitive parallel grid avalanche counter have been developed to study heavy ion reactions, such as inelastic excitations and few nucleon transfer reactions near the Coulomb barrier. Reasonably good resolutions have been achieved for energy, atomic number and angle. A theoretical investigation on the mass dependence of the Bragg peak signal from the BCS detector, shows that there is a negligible mass dependence related to the geometry of the detector. The mass number of the heavy ions which cannot be obtained by the above method, has been identified by detecting the corresponding characteristic gamma rays from the product nuclei with two large solid angle gamma ray detectors. (orig.).
The relationship between coal properties and liquefaction or gasification characteristics was analyzed by using the analysis and test results and liquefaction characteristics in the coal data base. On liquefaction reaction, the close relation between an oil yield and coal constituent composition or a coal rank is well-known. Various multivariable regression analyses were conducted by using 6 factors as variables such as calorific value, volatile component, O/C and H/C atomic ratios, exinite+vitrinite content and vitrinite reflectance, and liquefaction characteristics as variate. On liquefaction characteristics, the oil yield of dehydrated and deashed coals, asphaltene yield, hydrogen consumption, produced water and gas quantities, and oil+asphaltene yield were predicted. The theoretical gasification efficiency of each specimen was calculated to evaluate the liquefaction reaction obtained. As a result, the oil yield ...
The reactions of CF{sub 3}O radicals with (1) NO and (2) NO{sub 2} were studied using two different experimental techniques. A laser photolysis/LIF detection method was applied for measuring the rate constants as a function of temperature (T=222-302 K) and total pressure (p{sub tot}=7-107 mbar). Whereas the reaction with (1) NO was found to be independent of temperature and pressure with k{sub 1}=(4.5{+-}1.2) x 10{sup -11} cm{sup 3}s{sup -1}, the reaction with (2) NO{sub 2} was found to be dependent on both of these variables. The temperature dependence of k{sub 2} in the high pressure limit can be given by the expression k{sub 2{infinity}}{sup -}(T)=(8{+-}5) x 10{sup -13} exp ((863{+-}194) K/T) cm{sup 3}s{sup -1}. The product distributions of the two reactions were determined in separate experiments using steady-state photolysis combined with FTIR spectroscopy. For reaction (1) ...
The purpose of this study is to prevent the deactivation of catalysts recycled in the 0.1 t/d bench scale unit (BSU). Catalysts recovered during reactions in the BSU and after reactions in the 5-liter autoclave were analyzed, to investigate the influences of the reaction condition on the property and activity of catalysts. Were used {gamma}-iron oxyhydroxide ({gamma}-FeOOH), {alpha}-iron oxyhydroxide ({alpha}-FeOOH), and natural pyrite (FeS2) as catalysts. At the S/Fe atomic ration of 1.2 under the BSU reaction condition, troilite was more easily formed from {gamma}-FeOOH compared with pyrite and {alpha}-FeOOH. As the reaction proceeded through the first, second, and third reactors, the crystal size increased, the pyrrhotite content decreased, and the troilite content increased. Deactivation due to the formation of troilite was irreversible. At the S/Fe of 3.0, ...
Reactions of reducing species from acetonitrile media with silver iodide particles (#approx#25-angstrom diameter) have been investigated by pulse radiolysis techniques. Injection of electrons into these ultrasmall particles leads to transient bleaching of the adsorption of AgI at wavelengths close to the onset of absorption (#approx#400 nm) with the concomitant reduction of AgI to metallic silver. The reduction of Ag"+ ions and formation of silver atoms and/or dimeric Ag_2 molecules on three different size AgI particles (#approx#100, 35, and #approx#25 angstrom) have also been examined by picosecond laser spectroscopy.
When the history of neutrons is considered, three large discoveries are recalled, that is, the discovery of neutrons by Chadwick in 1932, the discovery of the nuclear fission of uranium by Hahn and Strassmann in 1938, and the continuation of chain reaction in nuclear fission by Fermi and others in 1942. In neutron capture reaction, the reaction cross section can become very large. The fields of research, to which neutrons have contributed most as the experimental probe, are neutron activation analysis and neutron diffraction. The development of the prompt gamma ray analyzer at the JRR-3M in Japan Atomic Energy Research Institute is reported. This method eliminates the various defects in ordinary neutron activation analysis. By installing the cold neutron source with hydrogen cooling in the JRR-3M, the new field of research was opened. As the combination of a lead-moderated spectrometer and an electron ...
The development and evaluation of a post-column reaction detector sensitive to platinum(II) complexes is presented in which sodium bisulfite is used as the derivatizing agent with potassium dichromate as an activating agent. The influences of mobile phase changes (i.e., pH, organic modifiers, electrolytes), oxygen, metal ions, and order of reagent addition on reaction kinetics and product yield are defined and used in optimization of detector response. Detection at lambda/sub max/ 290 nm results in an on-line post-column sensitivity of 40-60 ng/mL for selected cis-dichloroplatinum complexes and a sensitivity of 300-1200 ng/mL for four (substituted)-malonato-platinum complexes. The reaction detector is used to monitor the kinetics of aquation of cisplatin (CDDP) and to quantitate CDDP degradation in plasma. As the sensitivity for CDDP in plasma is comparable to that achieved from high pressure liquid chromatography (HPLC) ...
Having recently discovered that polynuclear heteroaromatic nitrogen compounds can be selectively reduced only at the nitrogen containing ring, we have now turned our attention towards the cleavage of the carbon nitrogen bonds in this reduced ring. Highlights for this reporting period are: (1) Studies with the 50% nickel oxide catalyst clearly show that 1,2,3,4-tetrahydroquinoline(THQ) provides approximately 20% more liquid product that does quinoline. Thus a first step selective hydrogenation to 1,2,3,4-THQ would enhance the overall HDN reaction to provide a more substantial conversion to substituted benzene and aniline derivatives. (2) The dramatic effect of the nitrogen atom is to inhibit aromatic ring hydrogenation and, to some extent, carbon-carbon bond hydrogenolysis reactivity. This is shown with proplybenzene as the substrate, where only methane gas is produced in the HDN reaction with the 50% nickel oxide catalyst. ...
Reduction of silver myristate (AgMy) under mild thermal reaction conditions in a dipolar aprotic solvent i.e. N, N-dimethylformamide (DMF) has been carried out. UV-visible absorption measurements of dried and re-dispersible brown flocculants showed broad features of surface plasmon resonance (SPR) due to silver nanoparticles. The freshly isolated particles showed absorption bands at 414 and 485 nm, respectively, due to inter-particle coupling or clustering of silver ions and silver atoms. X-ray diffraction (XRD) pattern of fcc zero-valent silver resulted in crystallite size of about 10 nm. Scanning electron microscopy (SEM) revealed formation of rod shaped silver with increasing reaction temperature. Thermal analysis (TGA) showed about 10% weight loss due to organic capping.
Bilayers of pure palladium and gold films were evaporated alternatively on (100) and (111) monocrystalline silicon substrates. After annealing, in a vacuum furnace from 100 to 650degreeC during 30min, the growth sequence of the Pd2Si and PdSi phases that evolved as the result of the diffusion reaction was examined by means of Rutherford backscattering spectrometry (RBS), X-ray diffraction (XRD), whereas the surface morphology was investigated by scanning electron microscopy (SEM) technique. The effect of the intermediate gold layer is investigated in order to test its effectiveness as barrier for Cu and Si atoms interdiffusion and its influence on the morphology of the formed palladium silicides. The effect of substrate orientation on the palladium silicides growth and formation was also e...
This research investigated the inhibiting effects that sodium salts of linear monocarboxylic acids displayed towards the corrosion process of AZ31 Mg alloy in ASTM D 1387 saline solution (a synthetic industrial cooling water). The length of the aliphatic chain of the acids ranged between 7 and 15 carbon atoms. The inhibiting action of these salts can be related to the precipitation of an insoluble magnesium salt, which mainly affected the anodic reaction. The aliphatic chain length controlled the anion solubility and the reaction rate of magnesium carboxylate formation. For all the salts, an optimum concentration was experienced: 10{sup -2} M for sodium decanoate (caprate), 10{sup -3} M for sodium dodecanoate (laurate), 10{sup -4} M for sodium tetradecanoate (myristate); when this concentration was exceeded, a diminution (even a disappearance) in the inhibiting action was found. (Abstract Copyright [2009], Wiley ...
The kinetic rate constants for the cracking, isomerization, and disproportionation of n-heptane over a CrHNaY (32% chromium exchanged) zeolite catalyst at 400, 450, and 470/sup 0/C have been calculated. The interaction of n-heptane with a model Lewis acid such as BF/sub 3/ and progress along the reaction coordinate have been studied by means of molecular orbital calculations. From the kinetic results, i.e., activation energies and frequency factors, and the theoretical calculations, it can be concluded that the controlling step in these reactions is not the formation of the carbonium ion, but the subsequent transformation of this carbonium ion. In addition, the theoretical calculations show that the attack of a Lewis acid is more likely to occur on a carbon atom than on a C-H bond.
The intercalation reaction of some layered transition metal disulfides with alkali metals, alkali metal hydroxides, and tetraalkylammonium hydroxides were investigated. The alkali metal intercalates were prepared in the respective metal-hexamethylphosphoric triamide solutions in vaccuo, and the hydroxide intercalates in aqueous hydroxide solutions. According to the intercalation reaction, the c-lattice parameter was increased, and the increase indicated the expansion of the interlayer distance. In the case of alkali metal intercalates, the expansion of the interlayer distance increased continuously, corresponding to the atomic radius of the alkali metal. On the other hand, the hydroxide intercalates showed discrete expansion corresponding to the effective ionic radius of the intercalated cation. All intercalates of TaS_2 amd NbS_2 were superconductors. The expansion of the interlayer distance tended to increase the ...
The methodology of the drip procedure of the Standard Test Method for Evaluating the Influence of Thermal Insulation on External Stress Corrosion Cracking Tendency of Austenitic Stainless Steel (ASTM C 692-95a) was used to research the effect of halogens and inhibitors on the external stress corrosion cracking (ESCC) of Type 304 stainless steel as it applies to the insulation industry. Simulated insulation extraction solutions were made with pure chemical reagents for the halogens and inhibitors. The results indicated that sodium silicate compounds that were higher in sodium were more effective for preventing chloride-induced ESCC in Type 304 austenitic stainless steel. Potassium silicate was not as effective as sodium silicate. Fluoride, bromide, and iodide may cause ESCC but they were much less active than chloride and could be effectively inhibited by sodium silicate compound. The addition of fluoride ions to the chloride/sodium silicate ...
Previously we have used atomic force anodisation lithography, with a self-assembled monolayer of hexadecyltrichlorosilane as a resist, to pattern silicon oxide nanostructures onto a p-type silicon (1 0 0) substrate. A condensation reaction was used to immobilise carbon nanotubes with high carboxylic acid functionality directly to the silicon oxide. A further condensation reaction using this surface attached the molecule ferrocenemethanol to the bound nanotubes. These new nanostructures were used as electrodes to observe the oxidation and reduction of ferrocene. However, because the small currents measured are near the detection limits of the electrochemical system used, important electrode kinetics could not to be obtained. A scribing approach made larger regions of oxidised silicon leading to the creation of larger scale patterned arrangements of carbon nanotubes allowing measurement of important electrochemical parameters ...
The Evaluated Nuclear Data File (ENDF) formats and libraries are decided by the Cross Section Evaluation Working Group (CSEWG), a cooperative effort of national laboratories, industry, and universities in the U.S. and Canada, and are maintained by the National Nuclear Data Center (NNDC). Earlier versions of the ENDF format provided representations for neutron cross sections and distributions, photon production from neutron reactions, a limited amount of charged-particle production from neutron reactions, photo-atomic interaction data, thermal neutron scattering data, and radionuclide production and decay data (including fission products). Version 6 (ENDF-6) allows higher incident energies, adds more complete descriptions of the distributions of emitted particles, and provides for incident charged particles and photonuclear data by partitioning the ENDF library into sub-libraries. Decay data, fission product yield data, ...
Experiments on aqueous TiO{sup 2} photocatalytic reaction characteristics of 4 nitrogen-containing and 12 aromatic organic compounds were carried out. Based on the values calculated for the distribution of ionic species and atomic charge, the characteristics of their photocatalytic decomposition were estimated. It was shown that the dependence of decomposition of the N-containing compounds were linearly proportional to their nitrogen atomic charge values, while that of the aromatic compounds were inversely proportional. The effects of aqueous pH, oxygen content and concentration on the TiO{sup 2} photocatalytic characteristics of EDTA-Cu(II) and EDTA-Fe(III) were experimentally investigated. All EDTA systems were decomposed better in the pH range of 2.5{approx}3.0 and with more dissolved oxygen. These results could be applied to a unit process for removal of organic impurities dissolved in a source water of the system ...
We review the development and application of kinetic Monte Carlo simulations to investigate defect and dopant diffusion in ion implanted silicon. In these type of Monte Carlo models, defects and dopants are treated at the atomic scale, and move according to reaction rates given as input principles. These input parameters can be obtained from first principles calculations and/or empirical molecular dynamics simulations, or can be extracted from fits to experimental data. Time and length scales differing several orders of magnitude can be followed with this method, allowing for direct comparison with experiments. The different approaches are explained and some results presented.
The reactor fuel cycle based on uranium is described. The various stages in the cycle include mining of uranium ores followed by crushing and grinding, leaching and purification of leach liquor by ion exchange resin process or solvent extraction process, refining of uranium concentrate (yellow cake) by digesting with HNO_3 and then solvent extracting uranyl nitrate with TBP, conversion of uranyl nitrate to uranium hexafluoride, production of uranium metal, uranium enrichment, fabrication of reactor fuel elements and reprocessing of the spent fuel. Chemical reactions wherever they are involved are explained. (M.G.B.).
The nuclear data activity at AERE, Savar is briefly presented in this paper. Major thrust is on the customization of cross section libraries for general purpose reactor and shielding calculations. The processing codes that are available are NJOY91.91, some AMPX-Modules and the modules in SCALE-PC. Recent measurements on cross section data over the energy range 13-15 MeV at the Institute of Nuclear science and Technology have been reviewed. Measurements and calculations are based on the determination of excitation functions of neutron induced reactions on the elements and isotopes of FRT-relevant structural materials. (author).
The #pi#g_9_/_2 band structure in "1"2"1Cs is obtained. The experiment was performed at the HI-13 MV tandem accelerator of China Institute of Atomic Energy. The excited states of "1"2"1Cs were populated via the reaction "1"1"2Sn("1"2C, p2n). The #gamma#-#gamma# coincidence data were taken with five BGO-AC HpGe detectors at beam energy of 60 Mev. The energy-level schemes of "1"2"1Cs is presented.
Intermetallic compounds are regarded as highly promising for applications as high temperature structural materials. However, recent studies have demonstrated that a number of ordered alloys exhibit environmental embrittlement when tested in various environments at ambient temperature. When exposed to hydrogen gas or electrolytically charged with hydrogen, a significant ductility loss has been reported. The reaction of water vapor with reactive elements in the crack tip results in the generation of atomic hydrogen which diffuses from the surface to the interior and causes embrittlement. In this paper, the authors try to analyze the sensitivity of hydrogen embrittlement of ordered alloys based upon energetical considerations.
Decomposition yields of tetracycline hydrochloride (TC.HCl) and chlorotetracycline hydrochloride (ClTC.HCl) in methanol solution saturated with Ar or N/sub 2/O were determined. Rate constants of the reaction esub(s)/sup -/ with some antibiotics were obtained. It was demonstrated by /sup 1/H NMR that the radical formed by degradation of 7-C-Cl group is recombined with the H atoms leading to ClTC.HCl being converted into tetracycline hydrochloride (TC.HCl).
Samples of two seawater farmed fish (crimson snapper (Lutjanus erythopterus) and snubnose pompano (Trachinotus blochii)), water, air, sediment, fish feed, macroalgae and phytoplankton were collected from two estuarine bays (Daya Bay and Hailing Bay) in South China. The concentrations of persistent halogenated compounds (PHCs) including polybrominated diphenyl ethers (PBDEs), organochlorine pesticides and polychlorinated biphenyls (PCBs) varied widely with the different sample matrices under investigation. The compositional patterns in fish, fish feed, macroalgae and phytoplankton, as well as the good correlations between the abundances of p,pprime-DDT and BDE-209 and their metabolites (i.e., p,pprime-DDD and p,pprime-DDE for p,pprime-DDT and BDE-47 for BDE-209) in fish indicated the occurr...
X-ray photoelectron spectroscopy and ex situ scanning tunneling microscopy measurements have been combined to investigate the thickness, the chemical composition, and the structure of passive films formed in 0.5 M H{sub 2}SO{sub 4} on Fe-22Cr(110). Aging under polarization at +500 mV/SHE causes a dehydration (anodic) reaction of the outer chromium hydroxide layer of the passive film. This anodic reaction results in a thickening of the inner mixed Cr(III) and Fe(III) oxide layer enriched in Cr{sub 2}O{sub 3}. It also causes a coalescence of the oxide nuclei of the passive film and a crystallization of the inner Cr{sub 2}O{sub 3}. It also causes a coalescence of the oxide nuclei of the passive film and a crystallization of the inner Cr{sub 2}O{sub 3} oxide layer in epitaxy with the substrate. The epitaxial relationship is {alpha}-Cr{sub 2}O{sub 3}(0001) {parallel} Fe-22Cr(110) with three different azimuthal orientations. Aging under polarization ...
The sulfur-iodine water-splitting cycle is characterized by the following three reactions: 2H/sub 2/O + SO/sub 2/ + I/sub 2/ ..-->.. H/sub 2/SO/sub 4/ + 2HI; H/sub 2/SO/sub 4/ ..-->.. H/sub 2/O + SO/sub 2/ + 1/2 O/sub 2/; and 2HI ..-->.. H/sub 2/ + I/sub 2/. This cycle was developed at General Atomic after several critical features in the above reactions were discovered. These involved phase separations, catalytic reactions, etc. Estimates of the energy efficiency of this economically reasonable advanced state-of-the-art processing unit produced sufficiently high values (to approx.47%) to warrant cycle development effort. The DOE contract was largely directed toward the engineering development of this cycle, including a small demonstration unit (CLCD), a bench-scale unit, engineering design, and costing. The work has resulted in a design that is projected to produce H/sub 2/ at prices not yet ...
A clean benchmark experiment on beryllium was performed with D-T neutrons at the FNS facility of the Japan Atomic Energy Agency. The main objective was to verify the integral data related to the tritium production on lithium isotopes. Tritium production rates, as well as activation reaction rates were measured inside the beryllium assembly that was shaped as a pseudo-cylindrical slab with an area-equivalent diameter of 628 mm and a thickness of 355 mm. Experimental results were analyzed with a three-dimensional Monte Carlo transport code MCNP-4C and FENDL/MC-2.0, JENDL-3.2/3.3 neutron transport libraries. Evaluation of reaction rates was based on the cross section data taken from the JENDL Dosimetry File and ENDF B-VI data libraries. Analysis shows that all calculation combinations (transport and activation cross section libraries) used for evaluation of reaction rates give data that is agreeable with ...
The paper discusses two petrochemical selective oxidation reactions namely the practised formation of styrene (STY) and the desired oxidative functionalisation of propane. The present knowledge about the mode of operation of oxide catalysts is critically considered. The dehydrogenation of ethylbenzene (EB) should be described by an oxidehydration with water acting as oxidant. The potential role of the coke formed during catalytic reaction as co-catalyst will be discussed. Selective oxidation is connected with the participation of lattice oxygen mechanism which transforms unselective gas phase oxygen into selective oxygen. The atomistic description of this process is still quite unclear as well as the electron structural properties of the activated oxygen atom. The Role of solid state acidity as compared to the role of lattice oxygen is much less well investigated modern multiphase-multielement oxide (MMO) catalysts. The ...
The transients involved in the reaction of tetracycline (TC) with reducing radicals such as e{sub aq}{sup -}, (CH{sub 3}){sub 2}COH and CO{sub 2}{sup .-}have been characterized by the pulse radiolysis technique. The semi-reduced species formed ({lambda}{sub max} = 630 nm, {epsilon} 3.4 x 10{sup 3} dm{sup 3} mol{sup -1} cm{sup -1}) has been found to be a strong reductant with reduction potential lying in the range -0.450 to -1.40 V vs NHE. TC reacts with e{sub aq}{sup -} at diffusion-controlled rates and the rate constant, depending upon the ionic form of TC existing at a particular pH, varies from 1.2 x 10{sup 10} to 2.8 x 10{sup 10} dm{sup 3} mol{sup -1} s{sup -1}. Based on these results a plausible site of electron addition has been suggested. Reaction of H atoms with TC gives rise to a transient which exhibits spectral and kinetic features different from that of semi-reduced species. (author).
A Ni3Al coating was prepared by plasma spraying technique on the surface of titanium alloy. Ni-Al mixed powders, coatings and reaction products were investigated by scanning electron microscope, EDS, DSC and XRD. A tight bonding between the coating and the substrate was formed. The X-ray diffraction analysis of the patterns showed that the coating not only had Ni3Al phase, but also had NiO and Al2O3 phase microcontent. Comparing Ni coated Al to Ni3Al at 900^oC, the diffusion was stronger and the diffusion layer was thicker. A minute pore structure was formed at 1200^oC in the front edge of solid-state reaction layer. So Ni3Al restrained the solid-state reaction of the coating with the substrate, and as a whole weakened the entry of oxygen atoms into the substrate and quenched the out-diffu...
DescriptionMeasurements of halocarbons (CFCs and other halogen-containing compounds) in the tropical stratosphere will be made from a long duration MIR balloon. The balloon and instruments are capable of flying for three or more weeks in which time they will circum-navigate the globe. As the balloon rises each morning and falls each evening, measurements of halocarbons will be made every few hundred meters between about 20 and 30 km. In total it is hoped that over 40 such vertical profiles will be obtained [continued...
Halide complexes of astatine cations At"+ and AtO"+ were prepared and their rate of migration was measured. The complexes are of the type AtX_2"- and AtOX_2"- (X = Cl"-, Br"-, I"-). The bromo complexes, AtBr_2"- and AtOBr_2"-, have a higher stability than the chloro complexes. The hydrolysis in weakly alkaline solution of AtX_2"- resulted At"-, and that of AtOX_2"- AtO_2"-. (author).
Partial Contents: Ternary Compounds; Granular Superconductors; Superconductivity in (SN)x and its Halogen Derivative (SNBr0.4)x; Studies of cuCl at Elevated Pressures; Superconducting Properties of Hydride Systems; Thin Film Superconducting Materials Research; Synthesis of Superconducting Nb3Si using High Pressures; Synthesis of Unstable A-15 Compounds by Epitaxial Recrystallization of Ion Implanted Layers; and Sputtering of Nb3Si.
Negative ions have attractive features as drivers for inertial confinement fusion, because they will avoid electron cloud effects, and could be efficiently photodetached to neutrals after the final focus, which could also be beneficial in heating warm dense matter targets. The halogens have large electron affinities, and thus should be able to produce high current densities of relatively robust negative ions. Recent experiments comparing chlorine beams to argon beams using the same source, extraction optics, and diagnostics have demonstrated that Cl"- beams can be produced with similar emittance to Ar"+ beams, and with about 34 the current density from the same configuration. The observed effective beam temperature of about 13eV, and the similarity of current densities show that negative halogen beams can meet the current density and emittance requirements of heavy ion fusion. The near equivalence of the Cl"- and Cl"++Cl_2"+ current densities ...
The halogenated benzimidazoles BDCRB (2-bromo-5,6-dichloro-1-β-d-riborfuranosyl benzimidazole riboside) and TCRB (2,5,6-trichloro-1-β-d-riborfuranosyl benzimidazole...Full Text Available
Short review of works on astatine chemistry carried out by authors for the last thirty years are done. Discovery of single-charged cation stable in aqueous solutions is predominant attainment of authors in the branch of inorganic chemistry. The first successful synthesis of heptavalent astatine compounds is a new and significant result of the last years. New direction in the chemistry of the fifth halogen is organic chemistry of astatine
This document is the final report for Cooperative Agreement DE-FC26-04NT42314, 'Kinetics Study of Mercury Reactions in FGD Liquors'. The project was co-funded by the U.S. DOE National Energy Technology Laboratory and EPRI. The objective of the project has been to determine the mechanisms and kinetics of the aqueous reactions of mercury absorbed by wet flue gas desulfurization (FGD) systems, and develop a kinetics model to predict mercury reactions in wet FGD systems. The model may be used to determine optimum wet FGD design and operating conditions to maximize mercury capture in wet FGD systems. Initially, a series of bench-top, liquid-phase reactor tests were conducted and mercury species concentrations were measured by UV/visible light spectroscopy to determine reactant and byproduct concentrations over time. Other measurement methods, such as atomic absorption, were used to measure ...
Phase relations in the ternary system Ce-Pd-Si have been established for the isothermal section at 800degreeC based on X-ray powder diffraction and EMPA techniques on about 130 alloys, which were prepared by arc-melting under argon or powder reaction sintering. Eighteen ternary compounds have been observed to participate in the phase equilibria at 800degreeC. Atom order was determined by direct methods from X-ray single-crystal counter data for the crystal structures of t8-Ce3Pd4Si4 (U3Ni4Si4-type, Immm; a=0.41618(1), b=0.42640(1), c=2.45744(7)nm), t16-Ce2Pd14Si (own structure type, P4/nmm; a=0.88832(2), c=0.69600(2)nm) and also for t18-CePd1-xSix (x=0.07; FeB-type, Pnma; a=0.74422(5), b=0.45548(3), c=0.58569(4)nm). Rietveld refinements established the atom arrangement in the structures of...
In this work, new LaSi3N5:Ce3+ phosphors have been synthesized by solid-state reaction. Rietveld refinement of the crystal structure of La1-xCexSi3N5 reveals that Ce atoms substituted for La atoms occupy 4a crystallographic positions. Broad emission and excitation bands observed were attributed to the transitions between the doublet ground state of the 4f1 configuration and the crystal field components of the 5d1 excited state. At 77 K, the centroid and crystal field splitting ?cfs of the 5d levels of Ce3+ in LaSi3N5:Ce3+ compounds were valuated at 33.4x103 and 11.3x103 cm-1, respectively. The zero-phonon line and the Stokes shift were measured to be 26.0x103 and 5.0x103 cm-1, respectively.
The syntheses of N-alkylated deoxynojirimycin and 1,5-dideoxy-1,5-iminoxylitol derivatives having either a D- or an L-erythritol-3-sulfate functionalized N-substituent are reported. The alkylating agent used was a cyclic sulfate derivative, whereby selective attack of the nitrogen atom at the least hindered primary center afforded the desired ammonium salt. In aqueous solution, these salts were configurationally labile at the ammonium center. Sulfonium and/or selenonium analogues of the ammonium salts were prepared by analogous reactions. The chalcogen salts were obtained as mixtures of diastereomers, separable in some cases, differing only in the stereochemistry at the configurationally stable sulfur or selenium atoms. Proof of configuration and conformation of each compound was obtained by detailed NMR experiments. The compounds are six-membered ring analogues of salacinol, a known sulfonium-salt glucosidase inhibitor. ...
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 specifics of different alloy group under ...
Precise measurements of the single spin asymmetry AN, and the double spin asymmetry ANN, in proton-proton (pp) elastic scattering in the region of four-momentum transfer squared 0.0012 have been performed using a polarized atomic hydrogen gas jet target and the Relativistic Heavy Ion Collider (RHIC) polarized proton beam. We present measurements of AN and ANN at center-of-mass energies ?(s)=6.8 and 13.7 GeV. These spin-dependent observables are sensitive to the poorly known hadronic spin-dependent amplitudes. Comparing AN at different energies, a ?(s) dependence of the hadronic single spin-flip amplitude is suggested. A hadronic double spin-flip amplitude from the ANN data is consistent with zero within a 2-? level. We also present ??T, estimated from the measured ANN data. The results for ??T are consistent with zero. Our results provide significant constraints toward a comprehensive understanding of the reaction mechanism for pp elastic ...
In order to model transport of dissolved ions in subsurface environments, one should understand how these ions interact with solid phase adsorbents. Our primary goal has been investigating the reaction mechanisms which affect microcontaminant partitioning between aqueous solutions and solid phase adsorbents, using goethite ({alpha}-FeOOH) as a model adsorbent. Cylindrical internal reflection -- Fourier transform infrared (CIR-FTIR) spectroscopy has been developed as the primary technique for this study. Wet chemical adsorption studies, acoustophoresis and electrophoretic mobility have been used to obtain supporting information as needed. Phenol and o-nitrophenol did not adsorb to goethite. Benzoate, phthalate and p-hydroxybenzoate all adsorbed via a bidentate mechanism to two adjacent iron atoms, while salicylate and 2,4-dihydroxybenzoate formed a chelate complex to single iron atoms. Phosphate adsorption was predominately ...
The rate of the oxygen-exchange reaction in an aqueous solution of a heterocyclic oxygen compound, 2,4,6-trimethylpyrylium perchlorate, was quantitated. The /sup 18/O isotope effect in /sup 13/C NMR spectroscopy affords a direct, continuous, and relatively simple analysis of the reaction and was used to obtain data on the incorporation of /sup 18/O from solvent H/sub 2//sup 18/O into the pyrylium salt. Due to the low solubility of this salt in aqueous solutions, 2,4,6-trimethyl(2-/sup 13/C)pyrylium perchlorate and 2,4,6-trimethyl(2,6-/sup 13/C/sub 2/)pyrylium perchlorate were synthesized to facilitate the acquisition of the data on an NTC-200 spectrometer operating at 50.31 MHz. Upon incorporation of /sup 18/O into the pyrylium salt, the /sup 13/C NMR signal of the directly bonded carbon atom is shifted upfield 0.038 ppm. A /sup 13/C isotope effect is also detected in the doubly /sup 13/C-enriched pyrylium salt where the ...
The introduction of oxygen in the vicinity of a metallic target surface, bombarded with positive argon ions of twenty kiloelectron-volts, increases the number of sputtered atoms in the excited state. This phenomenon of exaltation, very sensitive in the case of nickel and aluminium, is much less marked in the case of molybdenum. Moreover, the emission of excited particles coming from the beam's ions is not modified. A quantum-mechanical model of a kinetic emission process, which permits the interpretation of the clean metallic target's emission phenomena, seems insufficient to explain all of the results obtained in the presence of oxygen. In this last case one can therfore use a thermodynamic model in which excited metallic particles can be formed directly by chemical surface reactions of neutralization or reduction. (orig.).
Layer-by-layer formation for #pi#-conjugated azomethine multilayers bonded on substrates was investigated. The multilayers were synthesized using ethanol (EtOH) and dichloromethane (DCM) as reaction solvents. The multilayer characteristics were analyzed using UV-vis absorption spectroscopy, ellipsometric thickness, and atomic force microscopy. The absorption spectra and ellipsometric thicknesses of multilayers formed using EtOH and DCM were compared. The results indicate that EtOH is more suitable than DCM for such layer-by-layer formation. In addition, bandgaps estimated from the absorption edge of multilayers were investigated. The results indicate that the bandgap decreases as the number of benzene rings contained in the molecular chain of the multilayer increases. Also, a multilayer with four benzene rings bonded on a substrate had a bandgap close to that of a polymer with a similar chemical structure.
Inorganic nanoparticles are indispensable for science and technology as materials, pigments and cosmetics products. Improving the dispersion stability of nanoparticles in various liquids is essential for those applications. In this review, we discuss why it is difficult to control the stability of nanoparticles in liquids. We also overview the role of surface interaction between nanoparticles in their dispersion and characterization, e.g. by colloid probe atomic force microscopy (CP-AFM). Two types of surface modification concepts, post-synthesis and in situ modification, were investigated in many previous studies. Here, we focus on post-synthesis modification using adsorption of various kinds of polymer dispersants and surfactants on the particle surface, as well as surface chemical reactions of silane coupling agents. We discuss CP-AFM as a technique to analyze the surface interaction between nanoparticles and the effect of surface ...
Physicians are exercising their responsibility as healers in their efforts to prevent nuclear war. Death for Hiroshima survivors was experienced in four stages: the immediate impact of destruction, the acute impact of radiation, delayed radiation effects, and later identification as an atomic bomb survivor. Each phase had its physical and psychological impacts and negates Hiroshima as a model for rational behavior despite those who claim survival is possible for those who are prepared. The psychic effects of modern nuclear, chemical, and germ warfare need to be challenged with a symbolization of life and immortality. Studies of psychological reactions to the terror children felt during practice air-raid drills indicate that the fears can be surpressed and re-emerge in adult life as a linking of death with collective annihilation. Other themes which emerge are feelings of impermanence, craziness, identification with the bomb, and a double ...
A novel composite charged mosaic membrane (CCMM) was prepared via interfacial polymerization (IP) of polyamine [poly(epichlorohydrin amine)] and trimesoyl chloride (TMC) on the polyethersulfone (PES) support. Fourier transform infrared spectroscopy (FT-IR), environmental scanning electron microscopy (ESEM), atomic force microscopy (AFM) and water contact angle analysis were applied to characterize the resulted CCMM. The FT-IR spectrum indicates that TMC reacts sufficiently with polyamine. ESEM and AFM pictures show that the IP process produces a dense selective layer on the support membrane. The water contact angle of the CCMM is smaller than that of the substrate membrane because of the cross-linked hydrophilic polyamine network. Several factors affecting the IP reaction and the performan...
Accelerator mass spectrometry (AMS) represents a powerful technique for the detection of long-lived radionuclides through ultra-low isotope ratio measurements. In many cases, counting atoms rather than decays yields much higher sensitivities. The potential of AMS will be demonstrated on typical radionuclides of interest with half-lives between some tens of years up to a hundred million years. The precise measurement of the 27Al(n,2n)26Al excitation function will be exemplified. Lack of information exists for a list of nuclides as pointed out by nuclear data requests. A brief overview on detection limits and some applications for selected long-lived radionuclides is given.
To investigate the variation in the fine structure of polyamide thin-film composite (TFC) membranes prepared via two different interfacial polymerization conditions (IP-I and IP-II), experiments on Scanning Electron Microscopy (SEM), Atomic Force Microscopy (AFM), water contact angle, and positron annihilation spectroscopy (PAS) coupled to a slow positron beam were conducted. Polyamide TFC membranes were prepared via the interfacial polymerization reaction between triethylenetetramine (TETA) and trimesoyl chloride (TMC) on the surface of a modified polyacrylonitrile (mPAN) membrane. Compared with the polyamide TFC membrane prepared via IP-I, the polyamide layer prepared via IP-II showed a shorter S plateau length (thinner thickness), a higher o-Ps intensity I3 value (higher free-volume con...
Racemic and enantiomerically pure b-amino-a-trifluoromethyl alcohols were obtained via sequential nucleophilic trifluoromethylation of selected a-imino ketones, derived from arylglyoxals, and subsequent removal of the MeO or Ph(Me)CH substituent, respectively, located at the N-atom. The obtained products, containing a primary amino group, were used for the synthesis of imidazole N-oxides bearing a trifluoromethyl group as a part of the N(1)-alkyl chain. Imidazole N-oxides with an electron-withdrawing ester group at C(4) underwent spontaneous isomerization under the reaction conditions, and the corresponding imidazol-2-ones derivatives were isolated as final products.
Localized beam-processed areas using chemical reactions induced by a 30 keV Ga"+ focused ion beam (FIB) with and without I_2 (etching) and (CH_3)_3CH_3C_5H_5Pt gases (Pt deposition) have been analyzed using a 300 keV Be"2"+ microprobe with a beam spot size of 50-80 nm. The analyzed results have been compared with energy dispersive X-ray (EDX) analysis using an electron beam. The EDX analysis only indicated incorporated impurities at high fluence such as Ga, Pt and C, while microprobe RBS analysis could detect residual iodine with low concentration which couldn't be detected by EDS analysis because of the lower sensitivity of the EDX analysis for heavy atoms.
The light gain due to S/sub 2/ molecules in a supersonically cooled gas mixture is calculated. The S/sub 2/ molecules formed due to the recombination of the sulfur atoms, and the combustion gas mixture was preheated in a precombustion chamber. Optimal gas flow and nozzle parameters are found which correspond to the highest possible light gain using Cs/sub 2/-Ar and S/sub 2/-Ar gas mixtures. The steady state gas flow in the nozzle was calculated, taking into account the chemical reactions in the one-dimensional approximation. It is shown that the maximum gain values vary in the 0.0001-0.002 range for gas pressures in the precombustion chamber in the range 10-100 atm. The optimal initial relative concentration of Cs/sub 2/ molecules and S/sub 2/ molecules are given. 32 references.
Some N-containing or S-containing organic substances and some acetylenic alcohols were tested as inhibitors of the corrosive attack suffered by Fe-based metallic glasses in deaerated 0.1 N sulfuric acid (H{sub 2}SO{sub 4}) solution at 25 C. It was verified that the specific action these compounds exerted on the corrosion process of the amorphous alloys was similar to the one these compounds exerted on polycrystalline iron. The most efficient substances were those containing a sulfur atom with available lone pairs, which chiefly inhibited the anodic reaction of both metal specimens. Owing to the chemical and physical homogeneity of the amorphous alloy, the chemisorbed inhibitor film that formed on the glassy surface was more stable and protective than that formed on the polycrystalline iron.
As a new high-voltage cathode candidate for post 4V cathodes, ordered-olivine LiCoPO{sub 4} and fluoride phosphate, Li{sub 2}CoPO{sub 4}F were synthesized by solid-state reaction. Their structures were identified by neutron diffraction. The 5V discharge profiles were demonstrated using coin-type cells. Two important issues for commercial use, metal dissolution and oxygen release at elevated temperatures, were also tested with an atomic absorption spectrophotometer and differential scanning calorimeter, respectively. (author)
We have developed an energy-extension method of a Bragg curve counter (BCC) at the high-energy end for the measurements of double-differential cross-sections (DDXs) of fragment productions induced by tens of MeV protons. In this method, we estimate the incident energies of the fragments penetrating a BCC on the basis of the energy loss and atomic number (Z). We applied this method to the DDX measurements of the {sup nat}C(p, Li) and {sup nat}C(p, Be) reactions induced by 70 MeV protons. The validity of this method has been confirmed by comparing the DDXs of beryllium with theoretical predictions of the PHITS code and the two-body kinematics. This method improves the energy acceptance of the BCC for light fragments twice as wide as that of a conventional method without remodeling of the BCC and any loss of the original advantages.
A novel algebraic topology approach to supersymmetry (SUSY) and symmetry breaking in quantum field and quantum gravity theories is presented with a view to developing a wide range of physical applications. These include: controlled nuclear fusion and other nuclear reaction studies in quantum chromodynamics, nonlinear physics at high energy densities, dynamic Jahn-Teller effects, superfluidity, high temperature superconductors, multiple scattering by molecular systems, molecular or atomic paracrystal structures, nanomaterials, ferromagnetism in glassy materials, spin glasses, quantum phase transitions and supergravity. This approach requires a unified conceptual framework that utilizes extended symmetries and quantum groupoid, algebroid and functorial representations of non-Abelian higher dimensional structures pertinent to quantized spacetime topology and state space geometry of quantum operator algebras. Fourier transforms, generalized ...
With an objective to learn reactivity of coal at its surface, surfaces of oxidized coal samples were investigated. Miike coal was oxidized by using {sup 18}O2 in a closed loop system. As the reaction progresses, proportion of CO2 including isotopes increased rapidly as a result of oxidation of CO sites existing in the coal and the newly generated C{sup 18}O sites. The oxidizing reaction progressed via oxygen adsorbing sites generated near the surface, and oxygen containing groups. An FT-IR analysis estimated the depth of the oxidized layer to be 10{mu}m or less from particle surface. The oxidized coal was pulverized to see its surface condition. Functional groups introduced by the oxidation enter into the vicinity of the surface in a form to desorb as CO. CO2 is trapped in inner pores. The coal surface was observed by using an atomic force microscope. No observable openings in the pore structure were discerned on the ...
This patent describes a process for the preparation of acrylonitrile or methacrylonitrile by the reaction of propylene or isobutylene, molecular oxygen and ammonia at a temperature of about 200/sup 0/ to 600/sup 0/C in the presence of an oxidation catalyst. The improvement consists of using as the oxidation catalyst an antimony-free catalyst having the atomic ratios described by the formula: X/sub a/A/sub b/C/sub c/Fe/sub d/Bi/sub e/Mo/sub 12/O/sub x/ wherein X is Ga, In or mixtures thereof; A is alkali metal; C is Ni, Co or mixture thereof; and wherein a is 0.01 to about 4; b is 0 to about 4; c and d are 0.01 to about 12; e is 0.01 to about 6; and x is a number sufficient to satisfy the valence requirements of the other elements present. In a process for the preparation of acrylonitrile or methacryloniotrile by the reaction of propylene or isobutylene, molecular oxygen and ammonia at a temperature of about 200/sup 0/ to ...
It is well established from experiments in premixed, laminar flames, jet-stirred reactors, flow reactors, and batch reactors that SO2 acts to catalyze hydrogen atom removal at stoichiometric and reducing conditions. However, the commonly accepted mechanism for radical removal, SO2 + H(+M) reversible arrow HOSO(+M), HOSO + H/OH reversible arrow SO2 + H-2/H2O, has been challenged by recent theoretical and experimental results. Based on ab initio calculations for key reactions, we update the kinetic model for this chemistry and re-examine the mechanism of fuel/SO2 interactions. We find that the interaction of SO, with the radical pool is more complex than previously assumed, involving HOSO and SO, as well as, at high temperatures also HSO, SH, and S. The revised mechanism with a high rate constant for H + SO2 recombination and with SO + H2O, rather than SO2 + H-2, as major products of the HOSO + H reaction is in agreement with ...
A method for converting organic iodides to elemental iodine would be advantageous in improving the performance of charcoal filters for the removal of radio iodines from reactor off gases. A photochemical method has been developed. The HAVCHM code was used to establish the relevant process time scales on a complete set of rate equations describing the primary and secondary reactions occurring in a plug-flow reactor containing low levels of elemental iodine and methyl iodide in air, which is irradiated by intense u.v. light. These simulations were used to justify the contraction of the complete set of reactions to the most significant elementary processes. The contracted set of rate equations are then solved analytically to render the concentration-time profiles of methyl iodide, total inorganic iodine and total oxidized organics, consistent with the achievement of a desirable radioiodine decontamination factor. For the short contact times ...
A series of experimental measurements of the yield of O_3 in nuclear-induced O_2 and O_2-SF_6 discharges are reported. The discharges were created by bombardment with energetic particles from the "1"0B(n,#alpha#)"7Li reaction. Continuous irradiation at dose rates of 10"1"5--10"1"7 eV cm"-"3 s"-"1 and pulsed irradiation (--10 ms FWHM) at a peak dose rate of --10"2"0 eV cm"-"3 s"-"1 were conducted. At the lower dose rates, the addition of SF_6 generally increased the ozone yield due to the slowing of ozone destruction by negative oxygen and ozone ions. In contrast, at the high dose rates, the ozone concentration decreased due to SF_6 suppression of atomic oxygen formation by ion--ion recombination. A numerical model was developed and tested against experimental conditions. This model indicates that the steady-state ozone concentration was limited by the reaction O"-_3+O_3#->#2O_2+O"-_2 with a rate coefficient of --1 x ...
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
Iron is one of the main constituents of stainless steel which is used as a structural material in nuclear reactors. In fast and conceptual fusion and fusion-fission hybrid systems the primary energy range of neutron interaction lies between 1 and 20 MeV which opens up several reaction channels. The reaction cross-sections in this energy range are important for dosimetry, radiation damage, neutronics and safety studies of nuclear reactors. Keeping this in view Nuclear Data Section of the International Atomic Energy Agency has sponsored a Research Co-ordination Programme on Methods for the Calculation of Fast Neutron Nuclear Data for Structural Elements. Under this programme we propose to study (n,n'), (n,2n), (n,3n), (n,p), (n,np), (n,pn), (n,#alpha#), (n,n#alpha#), (n,#alpha#n) and (n,#gamma#) reaction cross-sections. Besides these, total, elastic and discrete level inelastic scattering cross-sections, ...
A post-irradiation annealing study was conducted with use of reactor pressure vessel(RPV) steel A533B C1.1 base metal irradiated to a dose of 4.84x10"1"8 n/cm"2 at about 380 deg C. Microhardness and positron annihilation (PA) methods were used to obtain better understanding of the recovery of radiation hardening. Isochronal anneal experiments indicated that two recovery processes occur during annealing of irradiated specimens. The first recovery process occurs in the temperature of 280-305 deg C. The variations of Ip, Iw and R parameters indicated that the formation of vacancy clusters by vacancy aggromeration and the annihilation parameters measured indicated that the dissolution of carbon atoms decorated around vacancy-type defects and possible precipitates, and the annihilation of monovacancies give rise to the second recovery process. It was further indicated that radiation anneal hardening (RAH) in the range of 305-405 deg C between the temperature ranges for ...
This short communication aims to update the review of non-nitro radiation sensitizers (Shenoy and Singh 1985) and correct omissions. Work is mentioned and bibliography given for studied of cis-platinum, potassium permanganate, cobalt hexammine, sodium bromide, dimethylsulphoxide, zinc and copper ions, organic nitroxyl free radicals (TAN,TMPN and NPPN + PNAP), halogenated pyrimidines, organic and inorganic iodine containing compounds, diacetyl, acetone and acetophenone, rho-hydrobenzoic acid and its esters, pentobarbitone and secobarbitone, heparin and 9-anilinoacridines, dehydropiandosterone and paraquat. (U.K.).
A chemically assisted micro-beam etching system for 3D microanalysis was designed. Using chemically assisted ion beam etching (CAIBE) method with FIB shave-off scanning, about several hundred micrometers clean cross-section will be acquired in a few hours. We use focused ion beam (FIB) and electron beam (EB) as micro-beams, halogen or halide mainly as reactive gases. The apparatus was manufactured based on this concept. We found that the FIB, Q-MS and SED worked as expected. The instrumentation has been completed.
By comparison of standard entropies theoretically calculated and determined from gas-chromatographic data for 40 halo-aliphatic and halo-aromatic compounds 8 organic iodine compounds among them, adsorbed on graphitized thermal carbon black it was found that in all the cases the molecular model of ideal two-dimensional gas is a sufficiently good approximation. It was shown that for a number of systems the agreement can be improved if the vibrations of the center of molecular mass relative to the surface are taken into account
The reactions of tetraphenylphosphonium ion (Ar_4P"+) with esub(aq)"-, H atoms and OH radicals have been investigated. The absorption spectra of three transient species were obtained. Ar_4Psup(.) radicals formed by the reaction: Ar_4P"+ + esub(aq)"- #-># Ar_4Psup(.) have a maximum absorption at 305 nm [epsilon _3_0_5 = (9400 +- 300)dm"3mol"-"1cm"-"1] and decays by second-order kinetics with the rate constant 2k = (2.7 +- 0.4) x 10"9dm"3mol"-"1s"-"1. H atoms and OH radicals form transient adducts to the phenyl groups of the Ar_4P"+ ion with the rate constants of (1.5 +- 0.3) x 10"9 dm"3mol"-"1s"-"1 and (3.0 +- 0.3) x 10"9dm"3mol"-"1s"-"1, respectively. Both adducts have broad absorption spectra at 300 approximately 380 nm (lambdasub(max) = 340 nm) with the molar extinction coefficients epsilonsub(340) = 5400 +- 300 dm"3mol"-"1cm"-"1 for the H adduct and epsilonsub(340) = 3500 +- 200 dm"3mol"-"1cm"-"1 ...
For the first time in scientific literature, in our joint work with Dr. G. Ladwig in 1978 it was established phase portraite of the oxide vanadium-phosphorus system within wide range of P/V ratios from 0.5 to 3.2. Some later those data were confirmed. By investigation of the properties of individual vanadium-phosphorus phases it was also shown that the active component of such catalysts in n-butane oxidation was vanadyl pyrophosphate phase (VO){sub 2}Pr{sub 2}O{sub 7}. From then the conclusion has been evidenced by numerous publications and at present it has been out of doubt practically all over the world. It was hypothized that the unique properties of (VO){sub 2}P{sub 2}O{sub 7} in the reaction of n-butane oxidation could be explained by the presence of paired vanadyl groups and nearness of the distances between neighbouring vanadyl pairs and that between the first and fourth carbon atoms in n-butane molecule. The molecule activation occured ...
Full text: The surface properties of poly (tetrafluoroethylene) (PTFE) are changed by the exposure to synchrotron radiation (SR). We succeeded in controlling the wettability of the PTFE surface from hydrophobic to hydrophilic by varying the substrate temperature during the SR irradiation and found that the wettability was ascribable to microstructure and chemical composition of surface.In these previous works, oxygen atoms were found to inhabit on the hydrophobic surface of PTFE. In this study, we investigated the surface modification of PTFE from the SR exposure experiment under the O_2 gas atmosphere. The SR exposure to the PTFE sheet was carried out at beamline 6 (BL6) of the New- SUBARU. The PTFE sheet was irradiated to the white beam, ranging 50-1000 eV at BL6 at room temperature. The gas cell was mounted at the irradiation chamber. The O_2 gas pressure in the gas cell can be maintained at about 0.20 Pa during the SR exposure using 5mm #phi# hole window. The ...
Fusion energy is one of only a few truly long-term energy options. Since its inception in the 1950s, the vision of the fusion energy research program has been to develop a viable means of harnessing the virtually unlimited energy stored in the nuclei of light atoms--the primary fuel deuterium is present as one part in 6,500 of all hydrogen. This vision grew out of the recognition that the immense power radiated by the sun is fueled by nuclear fusion in its hot core. Such high temperatures are a prerequisite for driving significant fusion reactions. The fascinating fourth state of matter at high temperatures is known as plasma. It is only in this fourth state of matter that the nuclei of two light atoms can fuse, releasing the excess energy that was needed to separately bind each of the original two nuclei. Because the nuclei of atoms carry a net positive electric charge, they repel each other. ...
The synthesis, characterization of M"vO([CH_3CH_2N(CH_2CH_2S)_2](p-S-Ph-COOCH_2-CH_3)) (M:"9"9"mTc: I, Re: II) is presented in this work, where a pendant ester function is attached to the monothiolate ligand. Chemical structure of I is established after chromatographic comparison with II, synthesized in macroscopic amounts. Complex II is fully characterized by classical methods of analysis showing that the compound adopts a distorted trigonal bipyramidal configuration around the metal. The two sulfur atoms of the tridentate ligand and the oxo group form the basal plane, while the remaining nitrogen atom of the tridentate ligand and the sulfur atom of the monothiolate ligand occupy the apices of the bipyramid. In vitro challenge experiments with glutathione (GSH) in neutral aqueous medium demonstrate, that I suffers nucleophilic attack by GSH and thereby transformation to a more hydrophilic daughter metal compound. Formation ...
The mathematical apparatus of quantum-mechanical angular momentum (re)coupling, developed originally to describe spectroscopic phenomena in atomic, molecular, optical and nuclear physics, is embedded in modern algebraic settings which emphasize the underlying combinatorial aspects. SU(2) recoupling theory, involving Wigner's 3nj symbols, as well as the related problems of their calculations, general properties, asymptotic limits for large entries, nowadays plays a prominent role also in quantum gravity and quantum computing applications. We refer to the ingredients of this theory-and of its extension to other Lie and quantum groups-by using the collective term of 'spin networks'. Recent progress is recorded about the already established connections with the mathematical theory of discrete orthogonal polynomials (the so-called Askey scheme), providing powerful tools based on asymptotic expansions, which correspond on the physical side to ...
A series of crown ethers carrying a pyrene group with nitrogen-sulfur donor atoms, that differ in having three, four and five sulfur atoms in the macrocycle was designed and synthesized by the reaction of the corresponding macrocyclic compound and 1-bromomethylpyrene. The influence of metal cations such as Mn2+, Fe2+, Fe3+, Co2+, Ni2+, Cu2+, Zn2+, Cd2+, Hg2+, Pb2+ and Al3+ on the spectroscopic properties of the ligands was investigated in acetonitrile-dichloromethane (1:1) by means of absorption and emission spectrometry. Absorption spectra show isosbestic points in the spectrophotometric titration of Fe2+, Zn2+, Cu2+, Pb2+ and Hg2+. The results of spectrophotometric titration experiments disclosed the complexation compositions and complex stability constants of the novel ligands with Fe2+, Zn2+, Cu2+, Pb2+ and Hg2+ cations. The monoazatetrathia crown ether showed good sensitivity for Cu2+ with linearity in the range ...
Single crystals of RbBaTaS{sub 4} (1) and K{sub 2}BaTa{sub 2}S{sub 11} (2) were obtained from the reactions of Ta, with in situ formed fluxes of A{sub 2}S{sub 3} (A = K, Rb), BaS, and S at 500 C. Compound 1 crystallizes in the orthorhombic space group Pnma with a = 9.3286(5), b = 7.0391(4), c = 12.4365(7) A, V = 816.6(1) A{sup 3}, Z = 4. Compound 2 crystallizes in the monoclinic space group P2{sub 1}/c with a = 14.5280(10), b = 12.6347(7), c = 17.5148(12) A, {beta} = 94.744(8) , V = 3203.9(4) A{sup 3}, Z = 4. The structure of RbBaTaS{sub 4} (1) consists of isolated tetrahedral [TaS{sub 4}]{sup 3-} anions and Rb{sup +} and Ba{sup 2+} cations. The Ba{sup 2+} cations are surrounded by nine sulfur atoms forming distorted tricapped trigonal prisms, whereas the Rb{sup +} cations are in an irregular environment of ten sulfur atoms. The structure of K{sub 2}BaTa{sub 2}S{sub 11} (2) consists of two different dinuclear [Ta{sub ...
Individual laser cooled atoms are delivered on demand from a single atom magneto-optic trap to a high-finesse optical cavity using an atom conveyor. Strong coupling of the atom with the cavity field allows simultaneous cooling and detection of individual atoms for time scales exceeding 15 s. The single atom scatter rate is studied as a function of probe-cavity detuning and probe Rabi frequency, and the experimental results are in good agreement with theoretical predictions. We demonstrate the ability to manipulate the position of a single atom relative to the cavity mode with excellent control and reproducibility.
The purpose of the present study was to examine reactions between bromium atoms with {alpha}, {beta}-unsaturated carbonyls. Acrolein, methacrolein, and methyl vinyl zetone were chosen as representatives of this family. The latter two compounds, beside formaldehyde, belong to the main products of atmospheric oxidation of isoprene and have been detected in the troposphere at concentrations of up to almost 1 ppb. It is known that alkenes react with bromium via addition to form an instable adduct. This product can either decompose again into its educts or react with molecular oxygen. The aim of the study was to determine the velocities of the reactions between the three {alpha}, {beta}-unsaturated carbonyls and bromium and to clarify the involved reaction mechanisms by means of kinetic experiments and product analyses. (orig./SR) [Deutsch] In dieser Arbeit wurde die Reaktion von Bromatomen mit {alpha}, ...
The atmospheric chemical behaviour of 1,1,1,2-tetrafluoroethane (CF{sub 3}CFH{sub 2}, HFC-134a) with respect to its rate and mechanism of degradation in the troposphere has been investigated. The rate coefficient for the reaction of (1a) CF{sub 3}CFH{sub 2}+OH{yields}CF{sub 3}CFH+H{sub 2}O has been determined in direct time-resolved experiments using laser-pulse initiation and laser long-path absorption. A value of k{sub 1a}=(4.6{+-}0.5).10{sup -15} cm{sup 3}/s at T=295 K has been found. The ratio of the rate coefficients for the reactions of the CF{sub 3}CFHO-radical with O{sub 2}, (4) CF{sub 3}CFHO+O{sub 2}{yields}CF{sub 3}CFO+HO{sub 2}, and C-C bond fission, (5) CF{sub 3}CFHO+M{yields}CFHO+CF{sub 3}+M, for T=295 K and p{sub total}=50 mbar (O{sub 2}) has been obtained to be k{sub 4}/(k{sub 5}[M])=1.5.10{sup -19} cm{sup 3}, with the individual values being k{sub 4}=2.7.10{sup -15} cm{sup 3}/s and k{sub 5}[M]=1.8.10{sup 4} s{sup -1}. The ...
A technique of producing radioactive isotopes of rare earth elements (r.e.e.) and carrier free "2"4"2Am is suggested. The technique makes use of ''sandwich'' phthalocya=- nine complexes of r.e.e. and americium placed on sorbent. This is a new type of r.e.e. compounds and actinides (C_3_2H_1_6N_8)_2M (M is a metal ion) which are thermally, radiationally and chemically stable, dissolve well in some organic solvents and do not dissolve in water. Radiation and chemically stable activated carbon is used as a sorbent carrier. After irradiation the target is treated by a weakly acid solution or complex-former solution. Radioactive atoms formed due to (n, #gamma#)-reaction and desoleting the complex because of recoil transfer into the solution. When irradiating in the flux of 10"1"3 neutr./cm"2 x s for 1 hour it is possible to produce radioactive isotopes with the yield from 20 to 90%, for example "1"6"0Tb, "1"6"6Ho with enrichment factor > 100 and ...
The diffusion of ion beam injected self-interstitials (I) and their interaction with impurities in crystalline Si has been investigated and modeled. In particular, the I-substitutional carbon (C) interactions have been studied, using a molecular-beam-epitaxy grown Si{sub 1-y}C{sub y} layer interposed between the shallow I-source and a deeper B-spike (marker for I-concentration). Substitutional C atoms are shown to trap I's, to be removed from their substitutional sites, and to form stable precipitates into the C-rich region. The I-trapping mechanism was quantitatively studied by a simulation code. The reactions causing trapping and deactivation are described. In addition, the boron markers approach was extended to the two dimensional (2D) diffusion. High resolution scanning capacitance microscopy was used for quantitative measurements of the 2D boron transient enhanced diffusion induced on a boron delta array by the I's ion ...
The diffusion of ion beam injected self-interstitials (I) and their interaction with impurities in crystalline Si has been investigated and modeled. In particular, the I-substitutional carbon (C) interactions have been studied, using a molecular-beam-epitaxy grown Si_1_-_yC_y layer interposed between the shallow I-source and a deeper B-spike (marker for I-concentration). Substitutional C atoms are shown to trap I's, to be removed from their substitutional sites, and to form stable precipitates into the C-rich region. The I-trapping mechanism was quantitatively studied by a simulation code. The reactions causing trapping and deactivation are described. In addition, the boron markers approach was extended to the two dimensional (2D) diffusion. High resolution scanning capacitance microscopy was used for quantitative measurements of the 2D boron transient enhanced diffusion induced on a boron delta array by the I's ion beam injected through a ...
Neutron transmutation doping(NTD) for producing ntype silicon semiconductor is based on the conversion of the Si-30 isotope into phosphorus atom by neutron absorption reaction. By using this method, silicon semiconductors with extremely uniform n-type dopant distributions can be produced, and this is the dominant advantage of NTD compared with the conventional chemical doping. HANARO has two vertical holes for NTD, and the commercial NTD service for 5 and 6 inch silicon ingots has been going on at the NTD2 hole. Generally, NTD method is applied to the initially n-type silicon material. But, an initially p-type silicon material can also be used for the production of uniformly doped n-type silicon by using NTD method. Therefore, in this work, we investigated the relationship between the irradiation neutron fluence and the final resistivity of the initially p-type silicon material. Thereafter, we established the methodology for the neutron ...
Neutron transmutation doping(NTD) for producing ntype silicon semiconductor is based on the conversion of the Si-30 isotope into phosphorus atom by neutron absorption reaction. By using this method, silicon semiconductors with extremely uniform n-type dopant distributions can be produced, and this is the dominant advantage of NTD compared with the conventional chemical doping. HANARO has two vertical holes for NTD, and the commercial NTD service for 5 and 6 inch silicon ingots has been going on at the NTD2 hole. Generally, NTD method is applied to the initially n-type silicon material. But, an initially p-type silicon material can also be used for the production of uniformly doped n-type silicon by using NTD method. Therefore, in this work, we investigated the relationship between the irradiation neutron fluence and the final resistivity of the initially p-type silicon material. Thereafter, we established the methodology for the neutron ...
Ga"+ focused ion beam (FIB) patterning was used to structure highly oriented pyrolytic graphite surfaces with square, periodic arrays of amorphous carbon defects (mesh sizes: 300 nm-2 #mu#m). Controlled oxygen etching of these arrays leads to matrices of uniform, orientationally aligned, nm-sized, hexagonal holes. The properties of the resulting hole assembly (hole depths and lateral hole dimensions) have been investigated by means of atomic force microscopy, scanning electron microscopy and FIB sectioning. The hole dimensions and uniformity both depend on the FIB parameters and etching conditions. Etching temperatures from 500 to 700 deg. C were applied. Initial etch rates of up to 10"6 C s"-"1 per individual hole were observed when using oxygen pressures of 200 mbar. For an etch temperature of 590 deg. C the rate of etching of individual holes was found to depend measurably on the inter-hole separation. This confirms that the associated ...
#beta#-SiAlON was synthesized from a zeolite by NH_3 gas nitridation and its formation mechanism was investigated using X-ray diffraction and "2"9Si and "2"7Al NMR spectroscopy. It was revealed that most of the Si and Al atoms react to form #beta#-SiAlON via amorphous forms of Si-Al-O-N and O-SiAlON. Nitridation using NH_3 gas is an effective means of preventing mullite formation and promoting the introduction of nitrogen into aluminosilicate materials at lower temperatures than temperatures required by the carbothermal reduction nitridation process. Further, the NMR spectra showed that the siliceous part of the system changed into low z-value of Si_6_-_zAl_zO_zN_8_-_z (#beta#-SiAlON) and the incorporation of Al components into the #beta#-SiAlON was promoted in the later stages of the reaction. (author)
Aims: The production of saturated organic molecules in hot cores and corinos is not well understood. The standard approach is to assume that, as temperatures heat up during star formation, methanol and other species evaporate from grain surfaces and undergo a warm gas-phase chemistry at 100 K or greater to produce species such as methyl formate, dimethyl ether, and others. But a series of laboratory results shows that protonated ions, typical precursors to final products in ion-molecule schemes, tend to fragment upon dissociative recombination with electrons rather than just ejecting a hydrogen atom. Moreover, the specific proposed reaction to produce protonated methyl formate is now known not to occur at all. Methods: We utilize a gas-grain chemical network to probe the chemistry of the relatively ignored stage of hot core evolution during which the protostar switches on and the temperature of the surrounding gas and dust rises from 10 K to ...
The masses of proton rich nuclides in the vicinity of N=Z=43 were measured with the Penning trap mass spectrometer SHIPTRAP at GSI. These nuclei were produced in the fusion-evaporation reaction {sup 36}Ar+{sup 54}Fe at energies of 5.0 and 5.9 MeV/u and separated at the velocity filter SHIP. The data are of astrophysical interest since these nuclei are believed to be a part of the rp and {nu}p process paths. The masses of {sup 85}Mo and {sup 87}Tc were measured for the first time. The masses of another two nuclides, {sup 86,87}Mo, were determined for the first time in a direct mass measurement. For these nuclides the mass excess deviates from values of the 2003 Atomic Mass Evaluation by up to 1.5 MeV, indicating a systematic shift of the mass surface in this region of the nuclear chart. Additionally, the masses of {sup 86}Zr and {sup 85}Nb were measured and found to be in agreement with the values obtained at JYFLTRAP. The experiment as well as ...
The masses of proton rich nuclides in the vicinity of N=Z=43 were measured with the Penning trap mass spectrometer SHIPTRAP at GSI. These nuclei were produced in the fusion-evaporation reaction "3"6Ar+"5"4Fe at energies of 5.0 and 5.9 MeV/u and separated at the velocity filter SHIP. The data are of astrophysical interest since these nuclei are believed to be a part of the rp and #nu#p process paths. The masses of "8"5Mo and "8"7Tc were measured for the first time. The masses of another two nuclides, "8"6","8"7Mo, were determined for the first time in a direct mass measurement. For these nuclides the mass excess deviates from values of the 2003 Atomic Mass Evaluation by up to 1.5 MeV, indicating a systematic shift of the mass surface in this region of the nuclear chart. Additionally, the masses of "8"6Zr and "8"5Nb were measured and found to be in agreement with the values obtained at JYFLTRAP. The experiment as well as preliminary data on mass ...
The research on the therapy of brain tumors and others by the thermal neutron irradiation using research reactors is to kill tumor cells by accumulating boron at a tumor part, and using {alpha} particles and {sup 7}Li generated by {sup 10}B(n, {alpha}){sup 7}Li reaction of thermal neutrons, which is known as boron neutron capture therapy (BNCT). In Japan Atomic Energy Research Institute, the medical irradiation facility was installed in the thermal neutron column of the JRR-2, and as of March, 1994, 22 cases of irradiation have been carried out. In order to monitor the variation of thermal neutron flux during irradiation, the real time measurement using a simultaneous monitor is carried out, but there is the variation of measured values in the Si semiconductor, p-n junction detector possibly due to its direction dependence. The experiment was carried out to quantity the direction dependence of the detector by using the neutron radiography ...
Accurate calculations of atomic displacement damage in materials exposed to neutrons require detailed spectra for primary recoil nuclei. Such data are not available from direct experimental measurements. Moreover, they cannot always be computed accurately starting from evaluated nuclear data libraries such as ENDF/B-V that were developed primarily for neutron transport applications, because these libraries lack detailed energy-and-angle distributions for outgoing charged particles. Fortunately, a new generation of nuclear model codes is now available that can be used to fill in the missing spectra. One example is the preequilibrium statistical-model code GNASH. For heating and damage applications, a supplementary code called RECOIL has been developed. RECOIL uses detailed reaction data from GNASH, together with angular distributions based on Kalbach-Mann systematics to compute the energy and angle distributions of recoil nuclei. The ...
The nature of extralattice aluminum and its effect on acidity in zeolites was studied. A series of zeolites (some commercial), dealuminated by various methods, were obtained having Si/Al ratios between 1.5 and 20. These were characterized using volumetric sorption, XRD, AA, NMR, and reaction studies. Samples dealuminated using ammonium hexafluorosilicate were found to contain little or no extralattice aluminum. In contrast, steam-dealuminated zeolites had large amounts of extralattice aluminum. In some cases a significant portion of the extralattice aluminum was unobservable by [sup 27]Al NMR, suggesting the existence of an aluminum species of low symmetry. Proton NMR indicated that all the protons were associated with the lattice aluminum atoms. Depending on the preparation history, different groups of H-Y zeolites exhibited different maxima in catalytic activity as a function of aluminum content. The maxima in catalytic activity for n-pentane ...
During the first and second quarters of 1994 air samples were collected and analyzed from 54 air particulate/halogen sampling stations, 10 noble gas sampling stations and 19 tritiated water vapor sampling stations. Surface water samples were collected and analyzed from 12 open water supply reservoirs, 8 natural springs, 2 wastewater containment ponds and 9 sewage lagoons. Groundwater samples were obtained brom 10 potable and 1 non-potable supply wells, and 8 drinking water consumption points. Ambient radiation levels were measured at 193 locations.
Lead is known to enter substitutionally in divalent state when doped in alkali halides. When irradiated at room temperature these lead centers (Pb"+"+) act as traps for electrons knocked off from the halogen ions and become Pb"+ and Pb"0 (for large doses of irradiation). These changes could be followed in the optical absorption studies. These lead-doped crystals after X-ray irradiation yield a thermoluminescence output smaller than that observed in 'pure' crystals. However, two new glow peaks are observed in additions to those due to F-centers. In KCl : Pb and Kbr : Pb crystals part of the F-center glow preceds the new glow peaks. The new peaks are attributed to the Pb"+ and Pb"0 centers. The glow peak temperatures and trap depths for these peaks an obtained by total-curve fitting method are reported. (author).
This paper introduces the radioactive effluent monitoring systems, measurement and quality control methods used in Daya Bay Nuclear Power Station from its commercial operation in 1994. The main work and experiences for the management of effluent release are discussed and analyzed. The radwaste data appear declining trend and are far blow the annual limit approved by the national Environmental Protection Bureau since 1995. The normalized release (unit GBq/GWa) of 9 years is as follows: liquid nuclides (except tritium) 11.1, liquid tritium 1.91 x 10"4, noble gas 2.03 x 10"4, halogen 0.13, aerosol 7.57 x 10"-"3. For "1"1"0"mAg, the average release from 1998 to 2002 has been reduced to 1/7 of the quantity in 1997
Biopharmaceutical R&D complexes are major emission sources of volatile organic compounds (VOCs), which may pose potential health risks for staff on site and residents nearby. In this paper health risk assessments were performed for the VOCs in the ambient air of a typical biopharmaceutical R&D complex in China. Results showed halogenated and alkyl compounds were dominant components among 24 major VOCs from 9 selected sampling sites, inside or around the complex. The principal component analysis (PCA) indicated VOCs were generated predominantly from the biopharmaceutical research activities (factor 1 (F1), 71.6%) and traffic vehicles (factor 2 (F2), 15.4%), which were confirmed by contour maps of five selected VOCs (benzene, toluene, chlorobenzene, methylene chloride and n-hexane) simulated...
Problems relating to electromagnetic compatibility and power quality were discussed, combined with a discussion of the role that consulting engineers can play in resolving them. The need for the consulting engineer to be aware of design specifications of equipment was considered essential. Similarly, the interrelationship between installations using variable speed drives, halogenous lighting systems, capacitor banks, high-voltage power lines, power transformers, etc., and the need for familiarity with the operating characteristics of different types of power systems were stressed as key ingredients to success in ascertaining events and causes of equipment failure or power system problems on the network. The main sources of disturbances, impact of voltage variations, the importance of controlling voltage imbalance, and system protection were summarized. 4 figs.
Charge carrier profiles are measured for boron implanted into silicon (E = 30 keV, dose range 5 x 10"1"5 to 2 x 10"1"6 B/cm"2) after rapid isothermal annealing using halogen lamps. Maximum temperatures between 1000 and 1300 "0C and holding times at T/sub max/ of 5 and 20 s are used for the annealing treatment. In a few additional experiments flash lamp annealing at 1350 "0C (pulse duration 20 ms) is investigated. By comparison of the experimental profiles with computer simulations using the SUPREM II program transient enhanced diffusion of boron could be detected in all investigated cases. Maximum charge carrier concentrations above the equilibrium solubility of boron are observed and are discussed. (author).
Transient enhanced diffusion (TED) from implantation of 5thinspkeVthinspB{sub 10}H{sub 14} and 0.5 keV B ions has been quantified and compared for nominal boron doses of 10{sup 14} and 10{sup 15}thinspcm{sup {minus}2}. Boron diffusivity during annealing was extracted from secondary ion mass spectroscopy depth profiles of diffused marker layers in boron doping-superlattices and the actual implanted B dose was independently measured by nuclear reaction analysis. Comparable enhancements were observed from both ions. Transmission electron microscopy analysis revealed that both boron- and decaborane-implanted samples were amorphized at a nominal 10{sup 15}thinspcm{sup {minus}2}thinspB dose. A comparison with data from low energy Si implants revealed a similar dependence of diffusivity enhancement on implant dose. These findings are consistent with the understanding that TED is caused by the interstitial supersaturation resulting from a number of excess interstitials ...
Transient enhanced diffusion (TED) from implantation of 5keVB_1_0H_1_4 and 0.5 keV B ions has been quantified and compared for nominal boron doses of 10"1"4 and 10"1"5cm"-"2. Boron diffusivity during annealing was extracted from secondary ion mass spectroscopy depth profiles of diffused marker layers in boron doping-superlattices and the actual implanted B dose was independently measured by nuclear reaction analysis. Comparable enhancements were observed from both ions. Transmission electron microscopy analysis revealed that both boron- and decaborane-implanted samples were amorphized at a nominal 10"1"5cm"-"2B dose. A comparison with data from low energy Si implants revealed a similar dependence of diffusivity enhancement on implant dose. These findings are consistent with the understanding that TED is caused by the interstitial supersaturation resulting from a number of excess interstitials approximately equal to the number of implanted atoms ...
A study on oxygen-plasma treatment of ink-jet paper is presented. Paper was exposed to a weakly ionized, highly dissociated oxygen plasma with an electron temperature of 5 eV, a positive-ion density of 8 x 1015 m-3 and a density of neutral oxygen atoms of 5 x 1021 m-3. Optical emission spectroscopy (OES) was applied as a method for detection of the reaction products during the plasma treatment of the paper. OES spectra between 250 and 1000 nm were measured continuously during the plasma treatment. The wettability of the samples before and after the plasma treatment was determined by measuring the contact angle of a water drop. The appearance of the surface-functional groups was determined by using high-resolution x-ray photoelectron spectroscopy (XPS), while changes in the surface morphology were monitored with scanning electron microscopy (SEM). Already after 1 s of the plasma treatment the surface, which was originally hydrophobic, changed to ...
We have developed a kinetic Monte Carlo (kMC) simulator that links atomic migration and binding energies determined primarily from first principles calculations to macroscopic phenomena and laboratory time scales. Input for the kMC simulation is obtained from a combination of ab initio planewave pseudopotential calculations, molecular dynamics simulations, and experimental data. The simulator is validated against an extensive series of experimental studies of the diffusion of B spikes in self-implanted Si. The implant energy, dose, and dose rate, as well as the detailed thermal history of the sample, are included. Good agreement is obtained with the experimental data for temperatures between 750 and 950 C and times from 15 to 255 s. At 1050o C we predict too little diffusion after 105 s compared to experiment: apparently, some mechanism which is not adequately represented by our model becomes important at this temperature. Below 1050o C, the kMC simulation produces ...
Gamma-irradiation of isolated rat liver mitochondria with up to 475 Gy leading to hydrated electrons (G = 1.9, corrected for reaction with solutes), 30 Gy leading to carbohydrate radicals, (G = 5.6), 100 Gy leading to superoxide radicals (G = 6.2), and 130 Gy leading to formate radicals (G = 6.2) showed no effects on the rate of oxygen uptake in various respiratory states, the respiratory control ratio, or the adenosine diphosphate to atomic oxygen ratio. Typical values were 0.020-0.100 nmol O/sub 2/ s/sup -1/ mg protein/sup -1/ for State 1 respiration, 0.25-0.33 nmol O/sub 2/ s/sup -1/ mg protein/sup -1/ for State 4 respiration and 0.65-1.10 nmol O/sub 2/ s/sup -1/ mg protein/sup -1/ for State 3 respiration. Typical respiratory control ratios ranged from 2.0-3.5 for succinate and 4.0-6.5 for a 1:1 glutamate: malate substrate mixture. Adenosine diphosphate to atomic oxygen ratios with succinate as substrate varied from 1.6 ...
Performance of various catalysts for hydrogenation of recycle solvent was evaluated for the operation of NEDOL process 1 t/d process supporting unit (PSU). Distillate between 220 and 538{degree}C derived from the liquefaction of Tanito Harum coal was used as recycle solvent. Deactivation behaviors of catalysts were compared using a prediction equation of catalyst life, by which aromatic carbon index (fa) after hydrogenation can be determined from the fa of recycle oil before hydrogenation, reaction temperature, and total hydrogenation time. Total hydrogenation time satisfying the {Delta}fa, 0.05 before and after hydrogenation were 8,000, 4,000, and 2,000 hours for NiMo-based catalysts C, A, and B, respectively. Catalyst C showed the longest life. Used catalysts were also characterized. The catalyst C showed larger mean pore size than those of the others, which resulted in the longer life due to the delay of pore blockage. From measurements by XPS and EPMA, relative ...
Plasma-deposited thin films prepared at room temperature, ranging from 46 to 250 A of PdAu on #approx#45-50 A Si-oxide and Si-oxynitride films grown on Si wafers were studied. Grazing incidence X-ray diffraction, X-ray reflectivity, and XPS depth profile techniques were used to characterize the thin films. A reactive interface involving Pd- and Au-silicides is formed, linking the thin film to the Si-oxide and Si-oxynitride films: a small fraction of Pd and Au atoms from PdAu migrate into the Si substrate, first penetrating the oxide layer, and the small fraction of Si atoms from the oxide layer migrate into the PdAu film and form a silicide interlayer consisting of a reactive interface made up of mixtures of Au- and Pd-silicides interspersed within the matrix of PdAu and substrate. The concentration profiles of these silicides have a maximum at the interface with decay on both sides. The density and the face-centered cubic (fcc) lattice ...
The spontaneous evolution from ultracold Rydberg atoms to plasma is investigated in a caesium MOT by using the method of field ionization. The plasma transferred from atoms in different Rydberg states (n=22-32) are obtained experimentally. Dependence of the threshold time of evolving to plasma and the threshold number of initial Rydberg atoms on the principal quantum number of initial Rydberg states is studied. The experimental results are in agreement with hot-cold Rydberg-Rydberg atom collision ionization theory. (authors)
The total radiation rate, angular distribution of the emitted energy and photon correlations of the cooperative spontaneous radiation from two atoms with different resonance frequencies and spontaneous decay rates are calculated. Contrary to the case of two identical atoms oscillations appear in the total radiation rate and the spatial distribution of the total number of emitted photons differs from the single-atom radiation pattern. The effect of the dipole-dipole near-field interaction on the time evolution of the atomic system is discussed. (author).
Austenitic stainless steels (304-type) have been implanted with nitrogen ions in order to investigate the effects of implanted nitrogen on their electrochemical behaviour and on the nature of the passive film formed on the steels in acid (0.5M H{sub 2}SO{sub 4}). Alloys with two nitrogen doses have been prepared (2.5x10{sup 16} and 2x10{sup 17} N atoms/cm{sup 2}). The implanted alloys have been characterized by {sup 15}N-NRA (nuclear reaction analysis) and XPS (X-ray photoelectron spectroscopy). Alloy surfaces with well-defined N concentrations were prepared, prior to the electrochemical measurements, by argon-ion sputtering of the implanted material for a fixed time in order to reach a well-defined point on the nitrogen depth profile. The samples were then transferred without exposure to air to an electrochemical cell mounted in an inert gas glove box. The implanted nitrogen modifies the electrochemical behaviour of the alloy. The anodic ...
Austenitic stainless steels (304-type) have been implanted with nitrogen ions in order to investigate the effects of implanted nitrogen on their electrochemical behaviour and on the nature of the passive film formed on the steels in acid (0.5M H_2SO_4). Alloys with two nitrogen doses have been prepared (2.5x10"1"6 and 2x10"1"7 N atoms/cm"2). The implanted alloys have been characterized by "1"5N-NRA (nuclear reaction analysis) and XPS (X-ray photoelectron spectroscopy). Alloy surfaces with well-defined N concentrations were prepared, prior to the electrochemical measurements, by argon-ion sputtering of the implanted material for a fixed time in order to reach a well-defined point on the nitrogen depth profile. The samples were then transferred without exposure to air to an electrochemical cell mounted in an inert gas glove box. The implanted nitrogen modifies the electrochemical behaviour of the alloy. The anodic dissolution in the active state ...
The ternary transition metal chalcogenides A[sub x]M[sub 6]X[sub 8] (A = Tl, K; M = V, Ti; X = S, Se) build up a three dimensional framework with large hexagonal channels running parallel to the crystallographic c-axis. The electropositive elements thallium or potassium are confined within these channels. It is possible to remove the Tl or K atoms via a chemical redox reaction with an I[sub 2]/CH[sub 3]CN solution or with H[sub 2]O. Using SEM it is demonstrated that the host matrix V[sub 6]S[sub 8]'' is only slightly affected by the redox agent. In contrast the host matrix Ti[sub 6]Se[sub 8]'' of Tl[sub x]Ti[sub 6]Se[sub 8] reacts with the I[sub 2]/CH[sub 3]CN solution. The results of the EDXS analyses clearly show that the removal of the electropositive elements proceeds only along the large channels and not through the host matrix. (orig.)
Japan Atomic Energy Research Institute (JAERI) and High Energy Accelerator Research Organization (KEK) are promoting construction plan of Material-Life Science Facility, which is consisted of Muon Science Facility and Neutron Scattering Facility, in order to open up the new science fields. The Neutron Scattering Facility will be utilized for advanced fields of Material and Life science using high intensity neutrons generated by the spallation reaction induced by injecting a 1 MW pulsed proton beam onto a mercury target. Design of the spallation mercury target system is in progress to obtain good neutron performance keeping high reliability and safety. The target material is mercury. As a result of the spallation reaction, large amount of radioactive spallation products are to be contained in the mercury. Therefore to establish the safety of the target system, transient behaviors of the system during anticipated events ...
Based on their interesting properties, metal nanoparticles show the potential as an analytical tool in electronic (Burmeister et al. 2004), optical (Yguerabide and Yguerabide 1998), and catalytic applications (Liu 2006). Their characteristics depend on the composition, shape, and size of the single particles. These various properties are utilized in many different approaches such as optics, magnetics (Lang et al. 2007), and laser technology (Csaki et al. 2007). We investigated an alternative method for the synthesis of nanoparticles. In this case, an enzyme, horseradish peroxidase, induces a silver deposition and replaces a metal nanoparticle as the reaction seed. Depending on the reaction time, we could obtain particles in a range of few nanometers up to more than 250 nm. For a better understanding of the enzymatic silver deposition process, the silver particles produced by this process were analyzed by SEM, TEM, and ...
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 dispersed molybdenum sulfide catalyst. We ...
Data on the reactions of thiocyanogen and thiocyanogen halides with unsaturated compounds are systematised. The kinetic and stereo- and regiochemical regularities of these reactions are analysed. The bibliography includes 81 references.
Objective is to study the effects of local structure, interatomic forces, and atom size on the mobility of metal atoms in amorphous silica and at the silica surface. EXAFS studies of Zn and Pt in silica are reported. (DLC)
We duscuss a resonant microwave trap for neutral atoms. Because of the long spontaneous radiation time this trap is remarkably different from the optical trap. It also has advantages over static magnetic traps that trap the excited spin state of the lowest electronic level, in that atoms predominantly in the spin ground state can be trapped. We analyze the relaxation-ejection lifetime of atoms in such a trap using the formalism of dressed atomic states. Results are appliedi to atomic hydrogen and the possibility of Bose-Einstein condensation is considered.
Cationic five-coordinate [Pt(3-R{sup 1}-4-R{sup 2}-C{sub 6}H{sub 3})(MeCN) (6-Me-py-2-CH=NPh)(C{sub 2}H{sub 4})]{sup +} complexes (R{sup 1}, R{sup 2} = H, Me, OMe) undergo an unexpected rearrangement at 0{degrees}C in chloroform solution, affording, after treatment with aqueous LiCl, the neutral four-coordinate species [Pt(2-Et-4-R{sup 1}-5-R{sup 2}-C{sub 6}H{sub 2})Cl(6-Me-py-1-CH=NPh)]. Pt-C{sub aryl} bond breaking and making is involved in the whole process, resulting in a 1,2-shift of the platinum atom to an adjacent position of the benzene ring. The same compound is obtained, together with products deriving from a typical insertion, when an equimolar amount of ethylene is added to a chloroform solution of [Pt(3-R{sub 1}-4-R{sup 2}-C{sub 6}H{sub 3})(MeCN)(6-Me-py-2-CH=NPh)]{sup +} at 0{degrees}C. When higher ethylene/Pt ratios are used, only five-coordinate [Pt(3-R{sup 1}-4-R{sup 2}-C{sub 6}H{sub 3}CH{sub 2}CH{sub 2})Cl(6-Me-py-2-CH{double_bond}NPh)(C{sub ...
Surface energy of III-V semiconductors ended by (110) clean surface and surface covered by atomic monolayer of aluminium, copper and sulfur has been calculated. We have used the Greens-function technique based on the scheme of linear muffin-tin orbitals in the atomic sphere approximation (LMTO-ASA) for the crystal potential and width the local density approximation (LDA) for electrons. Two types of coverage are considered: full monolayer with two additional atoms per two-dimensional unit cell and half monolayer with one additional atom per unit cell. Full monolayer of metallic atoms increases the surface energy. Cu atoms lead to greater destabilization than Al atoms. Sulfur atoms stabilize (110) surface for all considered compounds. (author)
We study a two-level atom in interaction with a real massless scalar quantum field in a spacetime with a reflecting boundary. The presence of the boundary modifies the quantum fluctuations of the scalar field, which in turn modifies the radiative properties of atoms. We calculate the rate of change of the mean atomic energy of the atom for both inertial motion and uniform acceleration. It is found that the modifications induced by the presence of a boundary make the spontaneous radiation rate of an excited inertial atom oscillate near the boundary and this oscillatory behavior may offer a possible opportunity for experimental tests for geometrical (boundary) effects in flat spacetime. While for accelerated atoms, the transitions from ground states to excited states are found to be possible even in a vacuum due to changes in the vacuum fluctuations induced by ...
The thermodynamic characteristics of adsorption of sulfur-containing amino acids and their derivatives on the surface of graphitized thermal carbon black were calculated by the molecular statistical method. The parameters of the atom-atom potential function of intermolecular interaction between the S atom in amino acids and the graphite C atom were determined. It was shown that an intramolecular H-bond influenced the adsorption of amino acids on the surface of graphitized thermal carbon black.
The thermodynamic characteristics of adsorption of sulfur-containing amino acids and their derivatives on the surface of graphitized thermal carbon black were calculated by the molecular statistical method. The parameters of the atom-atom potential function of intermolecular interaction between the S atom in amino acids and the graphite C atom were determined. It was shown that an intramolecular H-bond influenced the adsorption of amino acids on the surface of graphitized thermal carbon black.
We propose a scheme for the generation of the cluster states for many atoms in cavity QED. In our scheme, the atoms are sent through nonresonant cavity fields in the vacuum states. The cavity fields are only virtually excited and no quantum information will be transferred from the atoms to the cavity fields. The advantage is that the cavities are suppressed during the procedure. The scheme can also be generalized to the ion trap system.
I propose that an interpretation of the interaction of noble gas atoms with metal surfaces as predominantly physisorbing provides the best explanation for the systematics of their binding energies and surface dipoles, as well as for the tendency of noble gas atoms to bind in low coordinated sites. In the present context physisorption is defined as a process driven by the overlap of the electrostatic atomic potentials of the interacting species. (orig.)
Henry constants for the adsorption of o- and p-phenylenediamines on the surface of graphitized thermal carbon black within the temperature range 433?479 K were calculated by the molecular statistical method. The parameters of the atom-atom potential function of intermolecular interaction between the nitrogen atom in aniline and isomeric phenylenediamines and the carbon atom of the basal face of graphite were determined. It was shown that an intramolecular H bond influenced the geometry and adsorption properties of o-phenylenediamine.
Henry constants for the adsorption of o- and p-phenylenediamines on the surface of graphitized thermal carbon black within the temperature range 433-479 K were calculated by the molecular statistical method. The parameters of the atom-atom potential function of intermolecular interaction between the nitrogen atom in aniline and isomeric phenylenediamines and the carbon atom of the basal face of graphite were determined. It was shown that an intramolecular H bond influenced the geometry and adsorption properties of o-phenylenediamine.
Searches for permanent electric-dipole moments (EDM) of atoms provide important constraints on competing extensions to the standard model of elementary particles. Recently proposed experiment with liquid $^{129}$Xe [M.V. Romalis and M.P. Ledbetter, Phys. Rev. Lett. \\textbf{87}, 067601 (2001)] may significantly improve present limits on the EDMs. To interpret experimental data in terms of CP-violating sources, one must relate measured atomic EDM to various model interactions via electronic-structure calculations. Here we study density dependence of atomic EDMs. The analysis is carried out in the framework of the cell model of the liquid coupled with relativistic atomic-structure calculations. We find that compared to an isolated atom, the EDM of an atom of liquid Xe is suppressed by about 40%.
The atomic mechanism of a glass-to-liquid transition in a monatomic Lennard-Jones (LJ) glass was studied using the molecular dynamics (MD) method. Glassy models were heated up from low temperature at two different heating rates and a glass-to-liquid transition found to occur at the higher heating rate. The temperature dependence of the potential energy, mean-squared-displacements (MSD) of the atoms and the self-intermediate scattering function indicate clearly that a glass transition occurs in the system. The atomic mechanism of the glass-to-liquid transition was investigated by analyzing the spatio-temporal arrangement of liquid-like atoms in the system upon heating. Liquid-like atoms were detected using the Lindemann-melting-like criterion. Upon heating, liquid-like atoms occur at temper...
Full text of publication follows: Li{sub 2}TiO{sub 3} is regarded as one of the most suitable candidates for the solid tritium breeder material of D-T fusion reactors. It is known that, in an operating fusion reactor, the radiation damage in Li{sub 2}TiO{sub 3} will be caused by fast neutrons, energetic tritons and helium ions generated in {sup 6}Li(n,{alpha}){sup 3}H reaction. The irradiation damage caused by such radiation may result in the microstructural changes, and the changes may affect the characteristics of Li{sub 2}TiO{sub 3} such as tritium release behavior. Thus the study of irradiation defects and microstructural changes caused by irradiation in Li{sub 2}TiO{sub 3} is essential to evaluate its irradiation performance. Simulation of the fusion reactor environment and hence the study of a synergistic effect of atomic displacement damage in Li{sub 2}TiO{sub 3} are approached by a simultaneous irradiation with ...
Resonant scattering of atoms with formation of the Feshbach resonance in the presence of a laser radiation coupling the levels of two bound atoms (a molecule) is considered. The laser field leads to a second resonance in scattering and broadening of resonances, which facilitates the possibility of experimental observation of asymmetry of the total scattering cross-section arising because of interference between resonant and potential scatterings. The effects associated with interference of the two channels of decay of a bound system of two atoms (a molecule) in the laser field are studied. An expression is obtained for the scattering length in collision of two cold atoms in the field of laser radiation.
An experimental realization of the focusing of an atomic beam by a spontaneous radiation pressure force is reported. A simple light field configuration for focusing an atomic beam is described which is formed by four divergent Gaussian laser beams propagating along the + or - x and + or - y directions of a Cartesian coordinate system. An experimental arrangement for the laser focusing is shown, and the experimental procedure is described. The resulting atomic beam profiles are shown and discussed. It is concluded that the experiments open up the possibility of gaining control over such parameters of atomic beams as their density and divergence. 7 references.
An experiment has been performed to investigate the chemical reaction between the liquid phases of the eutectic lithium-lead (Li/sub 17/Pb/sub 83/) and water. The reactants and products were constrained within a closed reaction vessel, allowing the extent of reaction to be determined from the partial pressure of the hydrogen reaction product. The data from the tests showed that the extent of reaction did not depend upon the water temperature. The data also indicated that the extent of reaction passed through a maximum as the initial liquid metal temperature was varied from 350 to 500 C, and a model was developed to explain this behavior. 11 refs., 3 figs.
Phase relations in the ternary system Ce-Pd-Si have been established for the isothermal section at 800 deg. C based on X-ray powder diffraction and EMPA techniques on about 130 alloys, which were prepared by arc-melting under argon or powder reaction sintering. Eighteen ternary compounds have been observed to participate in the phase equilibria at 800 deg. C. Atom order was determined by direct methods from X-ray single-crystal counter data for the crystal structures of #tau#_8-Ce_3Pd_4Si_4 (U_3Ni_4Si_4-type, Immm; a=0.41618(1), b=0.42640(1), c=2.45744(7) nm), #tau#_1_6-Ce_2Pd_1_4Si (own structure type, P4/nmm; a=0.88832(2), c=0.69600(2) nm) and also for #tau#_1_8-CePd_1_-_xSi_x (x=0.07; FeB-type, Pnma; a=0.74422(5), b=0.45548(3), c=0.58569(4) nm). Rietveld refinements established the atom arrangement in the structures of #tau#_5-Ce_3PdSi_3 (Ba_3Al_2Ge_2-type, Immm; a=0.41207(1), b=0.43026(1), c=1.84069(4) nm) and ...
A series of measurements of O_3 yield in nuclear induced O_2 and O_2-SF_6 discharges created by bombardment with energetic particles from the "1"0B(n,#alpha#)"7Li reaction are reported. Continuous irradiation at dose ratios of 10"1"5-10"1"7 eV.cm"-"3.s"-"1 and pulsed irradiation (approx.10 ms FWHM) at a peak dose rate of approx.10"2"0 eV.cm"-"3.s"-"1 were conducted. At the lower dose rates, SF_6 addition generally increased the ozone yield, which at the high dose rates, SF_6 addition decreased the observed ozone concentration. A numerical model was developed and applied to experimental conditions. The steady-state ozone concentration was found to be limited by the reaction O_3"- + O_3 #-># 2O_2 + O_2"-. A simplified analytical model of steady-state conditions was used to predict model sensitivity to various parameters. In addition to dose rate effects, pressure and temperature effect on ozone production were discussed. The present study was ...
The design and parameters of a UV-VUV spontaneous radiation source - an excilamp operating on chlorides of rare gases ArCl{sup *}, KrCl{sup *} and XeCl{sup *} in the wavelength range 175-308 nm are presented. The Ne-Xe(Kr, Ar)-HCl mixtures were excited by a high-pressure self-sustained discharge with spark preionisation. It is shown that upon pumping mixtures of rare gases and halogens by a transverse discharge, the intensities of the B-X emission band of molecules ArCl{sup *}, KrCl{sup *} and XeCl{sup *} are comparable and up to 90% of the emission energy of excilamps can be concentrated in the UV region. The peak UV power density at 222 and 308 nm on the output window of the excilamp was {approx}2 kW cm{sup -2} for the pulse energy up to {approx} 3 mJ. The output emission energy of the excilamp at 175 nm achieved {approx}0.6 mJ and the peak power density was {approx}0.4 kW cm{sup -2}. (laser applications and other topics in quantum electronics)
Radiation-and-thermal-combined degradation of some kinds of cable insulating and jacketing materials was evaluated by accelerated aging tests. Plasticized polyvinyl chloride (PVC), silicone rubber, crosslinked and non-crosslinked halogen-free flame-retardant polyolefins (NH-XLPO and NH-PO) and ethylene-propylene rubber (EP rubber) of experimental formulation were degraded at accelerated rates, that are 50-1000 times the degradation rate under standard conditions (e.g.; 1Gy/h, 50degC), and a method to assess the lifetime of these materials under standard conditions was studied. The degradation was investigated by measuring tensile properties. In the accelerated aging tests, rates of elongation decrease owing to degradation for these materials were in proportion to the increase in accelerated rate. The PVC lifetime estimated from sequential aging tests had a tendency to extend beyond that from simultaneous aging tests, while the lifetime of other materials estimated ...
Palladium/magnetite nanoparticulate catalysts were developed for efficient elimination of halogenated organic pollutants from contaminated wastewater. Particle recovery from treated water can be ensured via magnetic separation. However, in worst-case scenarios, this catalyst removal step might fail, leading to particle release into the environment. Therefore, a toxicological study was conducted to investigate the impact of both pure magnetite and palladium/magnetite nanoparticle exposure upon human skin (HaCaT) and human colon (CaCo-2) cell lines and a cell line from rainbow trout gills (RTgill-W1). To quantify cell viability after particle exposure, three endpoints were examined for all tested cell lines. Additionally, the formation of reactive oxygen species was studied for the human cells. The results showed only minor effects of the particles on the tested cell systems and support the assumption that palladium/magnetite nano-catalysts can be implemented for a ...
We study spontaneously generated entanglement (SGE) between two identical multilevel atoms in free space via vacuum-induced radiative coupling. We show that the SGE in two-atom systems may initially increase with time but eventually vanishes in the time scale determined by the excited state lifetime and radiative coupling strength between the two atoms. We demonstrate that a steady-state SGE can be established by incoherently pumping the excited states of the two-atom system. We have shown that an appropriate rate of incoherent pump can help producing optimal SGE. The multilevel systems offer us more chanel to establish entanglement. The system under consideration could be realized in a tight trap or atoms/ions doped in a solid substrate.
Atomic ensembles, comprising clouds of atoms addressed by laser fields, provide an attractive system for both the storage of quantum information and the coherent conversion of quantum information between atomic and optical degrees of freedom. We describe a scheme for full-scale quantum computing with atomic ensembles, in which qubits are encoded in symmetric collective excitations of many atoms. We consider the most important sources of error-imperfect exciton-photon coupling and photon losses-and demonstrate that the scheme is extremely robust against these processes: the required photon emission and collection efficiency threshold is #approx#>86%. Our scheme uses similar methods to those already demonstrated experimentally in the context of quantum repeater schemes and yet has information processing capabilities far beyond those proposals.
The scattering of atoms by a resonance standing light wave is considered under conditions when the lower of two resonance levels is metastable, while the upper level rapidly decays due to mainly spontaneous radiative transitions to the nonresonance levels of an atom. The diffraction scattering regime is studied, when the Rabi frequency is sufficiently high and many diffraction maxima are formed due to scattering. The dynamics of spontaneous radiation of an atom is investigated. It is shown that scattering slows down substantially the radiative decay of the atom. The regions and characteristics of the power and exponential decay are determined. The adiabatic and nonadiabatic scattering regimes are studied. It is shown that the wave packets of atoms in the metastable and resonance excited states narrow down during scattering. A limiting (minimal) size of the wave packets is found, ...
This contribution reviews a selection of findings on atomic density functions and discusses ways for reading chemical information from them. First an expression for the density function for atoms in the multi-configuration Hartree--Fock scheme is established. The spherical harmonic content of the density function and ways to restore the spherical symmetry in a general open-shell case are treated. The evaluation of the density function is illustrated in a few examples. In the second part of the paper, atomic density functions are analyzed using quantum similarity measures. The comparison of atomic density functions is shown to be useful to obtain physical and chemical information. Finally, concepts from information theory are introduced and adopted for the comparison of density functions. In particular, based on the Kullback--Leibler form, a functional is constructed that reveals the periodicity in ...
Metal nanoparticles have many potential technological applications. Biological routes to the synthesis of these particles have been proposed including production by vascular plants, known as phytoextraction. While many studies have looked at metal uptake by plants, particularly with regard to phytoremediation and hyperaccumulation, few have distinguished between metal deposition and metal salt accumulation. This work describes the uptake of AgNO{sub 3}, Na{sub 3}Ag(S{sub 2}O{sub 3}){sub 2}, and Ag(NH{sub 3}){sub 2}NO{sub 3} solutions by hydroponically grown Brassica juncea and the quantitative measurement of the conversion of these salts to silver metal nanoparticles. Using X-ray absorption near edge spectroscopy (XANES) to determine the metal speciation within the plants, combined with atomic absorption spectroscopy (AAS) for total Ag, the quantity of reduction of Ag{sup I} to Ag{sup 0} is reported. Transmission electron microscopy (TEM) showed Ag particles of ...
The symmetrical complexes [{sup 99m}Tc][TcN(R{sub 2}PS{sub 2}){sub 2}] [R = CH{sub 3}, CH{sub 2}CH{sub 3}, CH{sub 2}CH{sub 2}CH{sub 3}, CH{sub 2}(CH{sub 3}){sub 2}], and the unsymmetrical complex [{sup 99m}Tc][TcN(Me{sub 2}PS{sub 2})(Et{sub 2}PS{sub 2})] have been prepared, at tracer level, through a two-step procedure involving the preliminary formation of a prereduced technetium nitrido intermediate followed by substitution reaction onto this species by the appropriate dithiophosphinate ligand [R{sub 2}PS{sub 2}]Na. The chemical identity of the resulting complexes have been established by comparison with the corresponding {sup 99}Tc-analogs prepared, at macroscopic level, by reacting the complex [{sup 99}TcNCl{sub 4}] [n-Bu{sub 4}N] (n-Bu = n-butyl) with an excess of ligand in methanol, and characterized by elemental analyses and spectroscopic techniques. The complexes are neutral and lipophilic, and possess a square pyramidal geometry, with an apical Tc N group ...
The symmetrical complexes ["9"9"mTc][TcN(R_2PS_2)_2] [R = CH_3, CH_2CH_3, CH_2CH_2CH_3, CH_2(CH_3)_2], and the unsymmetrical complex ["9"9"mTc][TcN(Me_2PS_2)(Et_2PS_2)] have been prepared, at tracer level, through a two-step procedure involving the preliminary formation of a prereduced technetium nitrido intermediate followed by substitution reaction onto this species by the appropriate dithiophosphinate ligand [R_2PS_2]Na. The chemical identity of the resulting complexes have been established by comparison with the corresponding "9"9Tc-analogs prepared, at macroscopic level, by reacting the complex ["9"9TcNCl_4] [n-Bu_4N] (n-Bu = n-butyl) with an excess of ligand in methanol, and characterized by elemental analyses and spectroscopic techniques. The complexes are neutral and lipophilic, and possess a square pyramidal geometry, with an apical Tc N group and two dithiophosphinate ligands spanning the four positions on the basal plane through the four sulfur ...
The new compounds In_3_._7Mo_1_5S_1_9, In_1_._6Rb_2Mo_1_5S_1_9, In_2_._2CsMo_1_5S_1_9, and ScTl_2Mo_1_5S_1_9 have been synthesized by solid-state reaction in sealed molybdenum crucible at about 1250 deg. C. Their crystal structures were solved and refined from X-ray single-crystal data in the hexagonal space group P63/m. Their Mo-S framework consists of an equal mixture of Mo_6S_8S_6 and Mo_9S_1_1S_6 cluster units interconnected through Mo-S bonds. In In_3_._7Mo_1_5S_1_9, the In atoms occupy crystallographically different positions depending on their formal oxidation states of +1 or +3. This was confirmed by replacing partially or totally the monovalent indium by another monovalent cation such as the rubidium, cesium or thallium and the trivalent indium by the scandium to get the new In_1_._6Rb_2Mo_1_5S_1_9, In_2_._2CsMo_1_5S_1_9, and ScTl_2Mo_1_5S_1_9 compounds, respectively.
Trihydroxynaphthalene reductase catalyzes two intermediate steps in the fungal melanin biosynthetic pathway. The enzyme, a typical short-chain dehydrogenase, is the biochemical target of three commercial fungicides. The fungicides bind preferentially to the NADPH form of the enzyme. Three X-ray structures of the Magnaporthe grisea enzyme complexed with NADPH and two commercial and one experimental fungicide were determined at 1.7 {angstrom} (pyroquilon), 2.0 {angstrom} (2,3-dihydro-4-nitro-1H-inden-1-one, 1), and 2.1 {angstrom} (phthalide) resolutions. The chemically distinct inhibitors occupy similar space within the enzyme's active site. The three inhibitors share hydrogen bonds with the side chain hydroxyls of Ser-164 and Tyr-178 via a carbonyl oxygen (pyroquilon and 1) or via a carbonyl oxygen and a ring oxygen (phthalide). Active site residues occupy similar positions among the three structures. A buried water molecule that is hydrogen bonded to the NZ nitrogen of Lys-182 ...
Single-crystalline nanostructures often exhibit gradients of surface (and/or interface) curvature that emerge from fabrication and growth processes or from thermal fluctuations. Thus, the system-inherent capillary force can initiate morphological transformations during further processing steps or during operation at elevated temperature. Therefore and because of the ongoing miniaturization of functional structures which causes a general rise in surface-to-volume ratios, solid-state capillary phenomena will become increasingly important: On the one hand diffusion-mediated capillary processes can be of practical use in view of non-conventional nanostructure fabrication methods based on self-organization mechanisms, on the other hand they can destroy the integrity of nanostructures which can go along with the failure of functionality. Additionally, capillarity-induced shape transformations are effected and can thereby be controlled by applied fields and forces (guided or driven ...
Nano-particles of CeO{sub 2} with the smallest average particle size (18.7 nm) and spherical morphology were obtained from a mixture solution of Ce(NO{sub 3}){sub 3}{center_dot}6H{sub 2}O, citric acid, polyvinyl alcohol by an auto-combustion process exploiting sol-gel as precursors. The course of size control and shape control by polyvinyl alcohol was examined in detail. A transmission electron microscopy (TEM) and an atomic force microscopy (AFM) were employed to characterize the particle-size and morphology of CeO{sub 2} particles. In addition, a sort of nano-metric solid acid SO{sub 4}{sup 2-}/CeO{sub 2} based on CeO{sub 2} nano-particles was prepared by macerating, filtering, drying and calcining processes. The particle-size of SO{sub 4}{sup 2-}/CeO{sub 2} was also assessed by TEM. The composition of SO{sub 4}{sup 2-}/CeO{sub 2} was analyzed by X-ray diffraction (XRD) and infrared spectra (IR). The influencing factors in the formation of SO{sub 4}{sup ...
The wavefunction of a particle extends into the classically forbidden barrier region of the potential energy surface. The consequence of this partial delocalisation is the phenomenon of quantum tunnelling, an effect which enables a particle to penetrate a potential barrier of magnitude greater than the energy of the particle. The tunnelling probability is an exponential function of the particle mass. The effect is therefore an important contribution to the behaviour of light atoms, in particular the proton. The hydrogen bond has long been appreciated to be an essential component of many biological and chemical systems, and the proton transfer reaction in the hydrogen bond is fundamental to many of these processes. The proton behaviour in the hydrogen bonds of benzoic acid, acetylacetone and calix-4-arene has been studied. A variety of techniques, both experimental and computational, were adopted for the study of the three hydrogen bonded ...
The electrochemical treatment of solutions containing C.I. Basic Yellow 2 (BY2) in aqueous solutions with carbon-PTFE (polytetrafluoroethylene) and carbon nanotube (CNT)-PTFE electrodes as cathode has been studied. The fabricated electrodes were characterized by scanning electron microscopy (SEM) and atomic force microscopy (AFM). The amount of electrogenerated H2O2 on the surface of these electrodes was investigated, too. The results showed that the amount of H2O2 obtained with the CNT-PTFE electrode was nearly three times higher than that of carbon-PTFE electrode. The decolorization efficiency of BY2 in peroxi-coagulation process reached 62% and 96% in the first 10 min by carbon-PTFE and CNT-PTFE electrodes at 100 mA, respectively. The effect of operational parameters such as applied current, initial pH and initial dye concentration was studied in an attempt to reach higher decolorization efficiency. The degradation and mineralization of BY2 using CNT-PTFE ...
A formalism for the dynamical treatment of the molecular orbitals of valence nucleons in nucleus-nucleus collisions is developed with the use of the coupled-reaction-channel (CRC) method. The Coriolis coupling effects as well as the finite mass effects of the nucleon are taken into account in this model, of rotating molecular orbitals, RMO. First, the validity of the concept is examined from the viewpoint of the multi-step processes in a standard CRC calculation for systems containing two identical [core] nuclei. The calculations show strong CRC effects particularly in the case where the mixing of different l-parity orbitals - called hybridization in atomic physics - occurs. Then, the RMO representation for active nucleons is applied to the same systems and compared to the CRC results. Its validity is investigated with respect to the radial motion (adiabaticity) and the rotation of the molecular axis (radial and rotational coupling). ...
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 ...
The adsorption of glycolate anions at sputtered gold thin-film electrodes was studied in perchloric acid solutions by cyclic voltammetry experiments combined with in situ Surface Enhanced Raman Scattering (SERS) and Surface Enhanced Infrared Reflection Absorption Spectroscopy under attenuated total reflection conditions (ATR-SEIRAS). Theoretical harmonic vibrational frequencies and band intensities obtained from B3LYP/LANL2DZ,6-31+G(d) calculations for glycolate species adsorbed on Au clusters with (1 1 1) orientation were used to interpret the experimental spectra. Vibrational data confirm the bidentate bonding of glycolate anions through the oxygen atoms of the carboxylate group, in a bridge configuration with the OCO plane perpendicular to the metal surface. The DFT calculations show no significant effect of the total charge of the metal cluster-adsorbate adduct on the vibrational frequencies of adsorbed glycolate species. The infrared experimental study is ...
The main goals of nuclear astrophysics have been to probe the interiors of stars, stellar explosions, the early moments of cosmic expansion, and the formation and evolution of galaxies and cosmic structure by measurement and application of the relevant nuclear physics. The approach to these goals have generally been from three directions: 1) Careful measurements of the relevant nuclear reactions; 2) Detailed computer models of the relevant astrophysical environments; and 3) Observations of the relevant terrestrial and extra-terrestrial atomic and isotopic abundances. These approaches provide not only insight into the formation and evolution of the elements, but are also pillars upon which a variety of cosmological models as well as models for physics beyond the standard model of particle physics can stand or fall. At present there is a very exciting frontier on all three of these approaches. The development and applications of ...
Crystals of disamarium rhenium (IV) pentoxide, Sm{sub 2}ReO{sub 5}, were obtained by subsolidus reaction of samariumsesquioxide and rheniumdioxide (ratio 1:1) in sealed Pt 10Rh tubes at 1673 K. The structure was determined by single-crystal X-ray diffraction. Sm{sub 2}ReO{sub 5} crystallizes in the tetragonal system with unit cell dimensions a = 8.646(3) {angstrom} and c = 5.747(2) {angstrom} and space group P4/n (no. 85) with Z = 4. The structure consists of isolated RE{sub 2}O{sub 8} groups and the (Sm{sub 4}O) chains are inter-connected by common oxygen atoms to form a three-dimensional network. Each Re{sub 2}O{sub 8} group is composed of a pair of rhenium each surrounded by four oxygens with a short Re-Re distance of 2.251(1) {angstrom} indicating a metal-metal bond. Rhenium has the formal oxidation state of +4. The observed magnetizations in the temperature range 1.8 < T < 100 K exhibits antiferromagnetic ordering below 2.4(1) K and ...
Semiclassical analysis of heavy ion induced transfer reactions are discussed for the quasielastic region. Some unique aspects of these reactions are shown, the variety of features which can be understood semiclassically is demonstrated, and some open problems are indicated. 28 refs., 16 figs. (LEW)
We present and characterize an experimental system in which we achieve the integration of an ultrahigh finesse optical cavity with a Bose-Einstein condensate (BEC). The conceptually novel design of the apparatus for the production of BECs features nested vacuum chambers and an in vacuo magnetic transport configuration. It grants large scale spatial access to the BEC for samples and probes via a modular and exchangeable ''science platform.'' We are able to produce 87Rb condensates of 5x106 atoms and to output couple continuous atom lasers. The cavity is mounted on the science platform on top of a vibration isolation system. The optical cavity works in the strong coupling regime of cavity quantum electrodynamics and serves as a quantum optical detector for single atoms. This system enables us to study atom optics on a single particle level and to further develop the field of quantum ...
The shrinking core model is examined for gas-solid noncatalytic reactions with a self-inhibited rate form and it is shown that multiple reaction pathways are possible for solid particles reacted under identical conditions. The observed reaction rate can have up to two discontinuities (jumps) during reaction for particles of spherical and cylindrical shape. The geometric instability analysis reveals that the reaction interface is stable under a very limited set of conditions only for solid particles of slab geometry. For a sphere or cylinder at large Biot numbers the reaction interface is always potentially unstable. This model provides a plausible explanation for gas-solid reactions which exhibit erratic shrinking core behavior.
The effects of temperatures, durations of treatment, and derivations from spermatophores or spermaries on in vitro acrosome reaction of the spermatozoa in the Chinese mitten crab Eriocheir sinensis...Full Text Available
An atom-by-atom understanding of life processes is emerging from a flurry of experiments fueled by synchrotron sources and DNA technology. {copyright} 1995 {ital American} {ital Institute} {ital of} {ital Physics}.
The line width of atom, situated near ideally conducting point or inside cone cavity in ideal conductor is analyzed. It is shown that the effect of point is decreased according to decreasing of its aperture angle
At least quinary alloys form metallic glass upon cooling below the glass transition temperature at a rate less than 10.sup.3 K/s. Such alloys comprise zirconium and/or hafnium in the range of 45 to 65 atomic percent, titanium and/or niobium in the range of 4 to 7.5 atomic percent, and aluminum and/or zinc in the range of 5 to 15 atomic percent. The balance of the alloy compositions comprise copper, iron, and cobalt and/or nickel. The composition is constrained such that the atomic percentage of iron is less than 10 percent. Further, the ratio of copper to nickel and/or cobalt is in the range of from 1:2 to 2:1. The alloy composition formula is: (Zr,Hf).sub.a (Al,Zn).sub.b (Ti,Nb).sub.c (Cu.sub.x Fe.sub.y (Ni,Co).sub.z).sub.d wherein the constraints upon the formula are: a ranges from 45 to 65 atomic percent, b ranges from 5 to 15 atomic percent, c ranges from 4 ...
This report includes the issuances received during the specified period from the Commission, the Atomic Safety and Licensing Appeal Boards, the Atomic Safety and Licensing Boards, the Administrative Law Judge, the Directors' Decisions, and the Denials of Petitions for Rulemaking.
This report includes the issuances received during the specified period from the Commission (CLI), the Atomic Safety and Licensing Appeal Boards (ALAB), the Atomic Safety and Licensing Boards (LBP), the Administrative Law Judge (ALJ), the Directors' Decisions (DD), and the Denials of Petitions for Rulemaking (DPRM).
This report includes the issuances received during the specified period from the Commission (CLl), the Atomic Safety and Licensing Appeal Boards (ALAB), the Atomic Safety and Licensing Boards (LBP), the Administrative Law Judge (ALJ), The Directors' Decisions (DD), and the Denials of Petitions For Rulemaking (DPRM).
Investigation of Interaction of Laser Radiation with Radioactive Deposits on the metal Surface and Creation of Experimental Stand for Development of Laser Technology for Remote Treatment of Materials Contaminated with Radioactive Substances at the Atomic Power Plants
Spontaneous radiation by an atom in a Rydberg state is inhibited by use of parallel conducting planes to eliminate the vacuum modes at the transition frequency. Spontaneous radiation emission is observed to turn off abruptly at the cutoff frequency of the waveguidelike structure, and the natural lifetime is measured to increase by a factor of at least 20.
We present a software system that computationally reproduces biochemical radioisotope-tracer experiments. It consists of three main components: A mapping database of substrate-product atomic correspondents...Full Text Available
The United Kingdom Atomic Energy Authority mortality study was designed to investigate the relation between exposure to ionising radiation and mortality among the authority's employees. The present...Full Text Available
Experimental results on study of helium concentration influence on degree of molybdenum radiation hardening for various method of cyclotron doping differing in degree and damage character are presented. It is established that accumulation of helium atoms in molybdenum for simultaneous formation of radiation defects caused by low energetic primary-knocked atoms leads to higher degree of hardening than for high energetic ion irradiation. It is shown that with increase of helium atom concentration the degree of radiation hardening for the same level of damage increases. 4 refs.; 3 figs. (author).
We present ab-initio calculations of the electronic structure of small Fe clusters (1-9 atoms) on Ni(001), Ni(111), Cu(001) and Cu(111) surfaces. Our focus is on the spin moments and their dependence on cluster size and shape. We derive a simple quantitative rule that relates the moment of each Fe atom linearly to its coordination number. Thus, for an arbitrary Fe cluster the spin moment of the cluster and of the individual Fe atoms can be readily found if the positions of the atoms are known. (orig.)
The authors trace the early history of nuclear power regulation in the US. Focusing on the Atomic Energy Commission, they describe the role of other groups that figured in the development of regulatory policies, including the Congressional Joint Committee on Atomic Energy, other federal agencies, state governments, the nuclear industry, and scientific organizations. They consider changes in public perceptions of and attitudes toward atomic energy and the dangers of radiation exposure. The basic purpose of the book is to provide the Nuclear Regulatory Commission and the general public with information on the historical antecedents and background of regulatory issues so that there will be continuity in policy decisions. The book concludes with an annotated bibliography of selected references. 19 figures.
We propose a scheme with potential experimental realization to generate 'polarization' entanglement between two atomic ensembles and show one of the applications - a novel secure communication allowing asymptotically key distribution and quasisecure direct communication. The scheme involves laser manipulation of atomic ensembles, adjustable quarter- and half-wave plates, beam splitters, polarizing beam splitters and single-photon detectors, and well fits the status of the current experimental technology.
A diode-laser fluorescence experiment was performed in order to study fine-structure transitions between 5"2P states of rubidium atoms colliding with ground-state potassium or caesium atoms. The Rb(5"2P_3_/_2) state was optically excited and the intensity ratio of sensitized to direct fluorescence was measured. (author).
An apparatus allowing the photoexcitation of barium atomic beam over its whole surface is described. This photoexcitation is achieved by another barium spectrum emitted up steam of the beam by a cathodic out-flow produced at the exit oven. The fluorescence spectrum is studied in detail as well as the influence of different parameters, such as oven temperature, current intensity of the outflow, and excitation depth. A calculation shows how to determine Einstein coefficient, oscillator strengths and atomic lifetimes from our experimental measurements.
The compound UC_2Si_2 has been found to be ferromagnetic at low temperatures with a Curie temperature of 101"0K. The magnetization follows a Curie-Weiss law in the paramagnetic region with an effective magneton number of 2.12 Bohr magnetons per uranium atom. Partial substitution of Th atoms for the U atoms results in an expansion of the lattice, a rapid drop in the Curie temperature, and a sizable increase in the coercive field.
A semi-empirical relation which can be used to determine the total attenuation cross sections of samples containing H, C, N and O in the energy range 145-1332 keV has been derived based on the total attenuation cross sections of several sugars, amino acids and fatty acids. The cross sections have been measured by performing transmission experiments in a narrow beam good geometry set-up by employing a high-resolution hyperpure germanium detector at seven energies of biological importance such as 145.4 keV, 279.2 keV, 514 keV, 661.6 keV, 1115.5 keV, 1173.2 keV and 1332.1 keV. The semi-empirical relation can reproduce the experimental values within 1-2%. The total attenuation cross sections of five elements carbon, aluminium, titanium, copper and zirconium measured in the same experimental set-up at the energies mentioned above have been used in a new matrix method to evaluate the effective atomic numbers and the effective electron densities of samples such as ...
This thesis is devoted to studies which prepared the construction of an atom Mach-Zehnder interferometer. In such an interferometer, the propagating waves are spatially separated, and the internal state of the atom is not modified. The beam-splitters are diffraction gratings, consisting of standing optical waves near-resonant with an atomic transition. We use the Bloch functions to define the atom wave inside the standing wave grating and thus explain the diffraction process in different cases. We developed a nearly all-analytical model for the propagation of an atom wave inside a Mach-Zehnder interferometer. The contrast of the signal is studied for many cases: phase or amplitude gratings, effects of extra paths, effects of the main mismatches, monochromatic or lightly polychromatic sources. Finally, we discuss three interferometric measurements we think very interesting. The ...
Hydrogen storage alloy composites La{sub 0.7}Mg{sub 0.25}Zr{sub 0.05}(Ni{sub 0.85}Co{sub 0.15}){sub 3.5}(x=0,5,10) were prepared by ball milling method. Their structures, morphologies and the hydrogen storage characteristics were intensively studied in the present work. It was found that the bulk of composites maintained the hexagonal C14 Laves phase structure after ball milling with additional La-Mg-based alloy for two hours. Scanning electron microscopy (SEM) observations revealed that the average size of Ti{sub 0.9}Zr{sub 0.2}Mn{sub 1.5}Cr{sub 0.3}V{sub 0.3} and La{sub 0.7}Mg{sub 0.25}Zr{sub 0.05}(Ni{sub 0.85}Co{sub 0.15}){sub 3.5} particles were reduced to several hundred nanometers after ball milling process. Energy dispersive X-ray spectrometer (EDS) patterns of the composites showed that the La{sub 0.7}Mg{sub 0.25}Zr{sub 0.05}(Ni{sub 0.85}Co{sub 0.15}){sub 3.5} phase was uniformly distributed on the surface of Ti{sub 0.9}Zr{sub 0.2}Mn{sub 1.5}Cr{sub 0.3}V{sub 0.3}. The hydrogen ...
The R and D activities of the institute focused on two major projects, ``Molecular and cellular environmental toxicology``, and ``Biophysics of multi-cellular systems``. For assessment of health risks emanating from the uptake of heavy metal compounds, work performed under the first mentioned project studies the formation of allergy-inducing metabolic products from membrane lipids, and the effects of related cellular signaling processes. These studies are accompanied by an approach to quantify and classify the toxicity of environmental organometallic compounds. Another major task is research into the pathogenesis of lung disease induced by dusts, gases, and gas-dust mixtures and the liberation of inflammatory agents by immunological cell reactions (alveolar macrophages). Atomic force microscopy is the tool used to visualize the related dynamic changes in bronchial cells. Studies for detection of the localisation and structure of the Fe-Mo ...
In the first paper of this series a formal theory of atomic scattering of electrons in the presence of an intense electromagnetic field was given. Cross sections, near the forward direction, between atomic states (modified by the laser) were obtained. However, it was assumed that the atom could not emit spontaneous radiation. In this paper the effect of spontaneous radiation is included, and it is shown that in most cases the measured cross section will be a weighted average of the two different cross sections starting from the two different initial states which are those atomic states resonantly linked by the laser. The Born approximation for the scattering is obtained, and it is shown that for the simplest description of the spontaneous radiation field the effect of the laser on the cross sections is simply to multiply them by a factor which depends upon the laser detuning. (AIP)
A body-centered cubic (bcc) Mg-12Li-9Al-1Zn (wt.%) alloy was fabricated in air by electrolysis from LiCl-KCl molten salt at 500 deg. C. Electrolytic deposition of Li atoms on cathode (Mg-Al-Zn alloy) and diffusion of the Li atoms formed the bcc Mg-Li-Al-Zn alloy with 12 wt.% Li and only 0.264 wt.% K. Low K concentration in the bcc Mg alloy strip after the electrolysis process resulted from 47% atomic size misfit between K and Mg atoms and low solubility of K in Mg matrix.
A body-centered cubic (bcc) Mg-12Li-9Al-1Zn (wt.%) alloy was fabricated in air by electrolysis from LiCl-KCl molten salt at 500degreeC. Electrolytic deposition of Li atoms on cathode (Mg-Al-Zn alloy) and diffusion of the Li atoms formed the bcc Mg-Li-Al-Zn alloy with 12wt.% Li and only 0.264wt.% K. Low K concentration in the bcc Mg alloy strip after the electrolysis process resulted from 47% atomic size misfit between K and Mg atoms and low solubility of K in Mg matrix.
The chemical reaction between nitric acid and sodium chloride was investigated in onder to provide preliminary information for subsequent studies on the interaction between simulated Purex waste solution and salt. The reaction is characterized by the production of chlorine and nitrosyl chloride and can be considered to be the same as the aqua regia reaction. Within the limits of the conditions imposed by the projected field studies, the acid concentration and temperature are the two parameters which control the extent of the interaction. (auth)
Synthesis of silver nanoparticles based on a polyol process and variable frequency microwave (VFM) was investigated. Comparing to a thermal method, the reaction by VFM radiation was much faster. The effects of silver nitrate concentration, poly(N-vinylpyrrolidone) (PVP) concentration, reaction time and reaction temperature were studied. It was found that the higher concentration of silver nitrate, longer reaction time and higher temperature increased the particle size while the higher concentration of PVP decreased the particle size.
We have developed a set of modeled nuclear reaction cross sections for use in radiochemical diagnostics. Systematics for the input parameters required by the Hauser-Feshbach statistical model were developed and used to calculate neutron induced nuclear reaction cross sections for targets ranging from osmium (Z = 76) to gold (Z = 79). Of particular interest are the cross sections on Ir and Au including reactions on isomeric targets.
Microwaves improve the rate of many chemical reactions either interacting with the solvent, when the reaction is carried out in solution, or with the surface of a solid substrate where a suitable reagent is dispersed (dry chemistry). A few examples of chemical reactions positively affected by microwaves are described: particularly interesting are those concerning polymers and radio-pharmaceuticals.
During the period covered by this report research has been concerned with the study of photo-induced electron transfer reactions from porphyrins to acceptor molecules with time-resolved Electron Paramagnetic Resonance (EPR) methods. Excited-state electron transfer reactions are of importance from a fundamental point of view and in connection with applications in homogeneous and heterogeneous photosensitization, photopolymerization, and solar energy conversions. For this reason, the study of photo-induced electron transfer reactions is of considerable interest.
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 ...
The construction of networks consisting of optically interconnected processing units is a promising way to scale up quantum information processing systems. To store quantum information, single trapped atoms are among the most proven candidates. By placing them in high finesse optical resonators, a bidirectional information exchange between the atoms and photons becomes possible with, in principle, unit efficiency. Such an interface between stationary and ying qubits constitutes a possible node of a future quantum network. The results presented in this thesis demonstrate the prospects of a quantum interface consisting of a single atom trapped within the mode of a high-finesse optical cavity. In a two-step process, we distribute entanglement between the stored atom and two subsequently emitted single photons. The long atom trapping times achieved in the system together with the high ...
In this paper, steady-state isotopic transient kinetic analysis (SSITKA) is used to study two model reactions, CO oxidation and CO-NO reactions, on a typical formulation of a three-way auto-catalyst. Under steady-state conditions, abrupt switches in the isotopic composition of CO ("1"2C"1"6O/"1"3C"1"8O) were carried out to produce isotopic transients in both labeled reactants and products. Along with the determination of the average surface lifetimes and concentrations of reaction intermediates, an analysis of the transient responses along the carbon reaction pathway indicated that the distribution of active sites for the formation of CO_2 was bimodal for both reactions. Furthermore, relatively few surface sites contributed to the overall reaction rate.
The reactions of the hydroxyl radical with hydrocarbons and fluoro hydrocarbons attract significant attention due to their importance in atmospheric chemistry. Its reactions with the two first hydrocarbons, methane and ethane are of special interest because, owing to the small size of these systems, they serve as a prototype for the theoretical studies of hydrogen abstraction reactions. In this work, the reaction and activation energies of the hydroxyl radical abstraction reaction with methane and ethane have been investigated by correlated ab initio and DFT methods. The DFT reaction energies are in good agreement with experimental values, but the activation energies may be in severe error. (authors) 22 refs.
The relevance of Quantum Electrodynamics (Qed) in contemporary atomic structure theory is reviewed. Recent experimental advances allow both the production of heavy ions of high charge as well as the measurement of atomic properties with a precision never achieved before. The description of heavy atoms with few electrons via the successive incorporation of one, two, etcetera photons in a rigorous manner and within the bound state Furry representation of Qed is technically feasible. For many-electron atoms the many-body (correlation) effects are very important and it is practically impossible to evaluate all the relevant Feynman diagrams to the required accuracy. Thus, it is necessary to develop a theoretical scheme in which the radiative and nonradiative effects are taken into account in an effective way making emphasis in electronic correlation. Preserving gauge invariance, and avoiding both continuum ...
An energy analyzer has been constructed and operated in UHV for the purpose of analyzing the energy of neutral atoms scattered from solid surfaces. The analyzer consists of a LiF single crystal located at an angle close to the normal to the sample crystal so that the diffraction pattern obtained by scanning the LiF crystal yields the energy of the scattered atoms. Two designs which have been used are described. The temperature of both sample and analyzer crystal is near 20 K and once cleaned they can be maintained in the state of initial preparation for many weeks. The sample was a (001) Cu surface in this case. Such an energy analyzer can only be used, in most cases, for He atom scattering although Ne atoms could be used if the scattered intensities were adequate. The detector developed in this study is able to detect about 2 x 10"5 atoms/s. The resolution of the spectrometer ...
In June 2010, Basic Energy Plan was approved in a Cabinet meeting. It says that Japan aims to construct more than 14 atomic power plants by 2030. Today, there are 12 plans of construction of atomic power plant, but it is hard to say that their plans easily come off. That's because public acceptance of atomic power plant is low in Japan, for example local residents wage opposition campaigns. This study conducts a survey in the form of a questionnaire and analyzes it by Analytical Hierarchical Process (AHP). Analytic Hierarchy Process is a structured technique for dealing with complex decisions. A questionnaire using AHP is very easy to answer and analyze. This survey was conducted in 2 areas. First area is Hohoku-cho, Yamaguchi Pref. that had a plan of construction of atomic power plant and the plan was demolished by opposition campaigns. Second area is Kaminoseki-cho, Yamaguchi Pref. that has a plan of ...
Direct nuclear reactions are commonly understood in terms of distorted wave (DW) formalisms. In the case of a single nucleon knockout or transfer reaction the DW analysis provides a reasonable understanding of the observed data. On the other hand the predictions based on different available information inputs have been verified with the observations consistently. In the case of direct reactions involving nuclear clusters however, the DW predictions have been found to disagree with the observations in most cases. The outcome of these and other improvements in the intermediate energy nuclear phenomena involving direct reactions are highlighted. (author). 13 refs., 18 figs.
Purpose of this work is to investigate the role of Helical CT and the usefulness of three-dimensional (3D) imaging for pre-operative planning and follow-up of reconstructive maxillofacial surgery with alloplastic material in neoplastic disease involving this region. From 1996 to 1999 eleven patients were examined with Helical CT and 3D images for planning of maxillofacial plastic and reconstructive surgery for advanced cancer of this anatomically complex region. A 3D-modulated titanium mesh (100%) or micro nets was used to rebuild the anterior surface of maxillary bone and the orbital floor. The mesh was cut to the appropriate size and shape and curved where necessary. Within the residual sinusal cavity a siliconed filling was used surmounting an acrylic prosthesis with dental arch to rebuild the palate. A rehydrated bovine pericardium was affixed and moduled on the borders in two cases only. Three-dimensionally reconstructed CT images were obtained preoperatively and at least 6 months ...
Intensive work has long been going on to find out the unknown origin that sets off curious tribo-physicochemical phenomena and that causes various kinds of problems in oil-lubricated sliding contacts in mechanical and processing systems. The strange tribochemical reaction is one of the such curious chemical phenomena observed in the degradation of perfluoropolyether (PFPE) lubricating oil film in a hard disk drive. Plasma (triboplasma) (Nakayama and Mirza 2006 Tribol. Trans. 49 17) would be one of the most probable origins of the problems if it were generated sufficiently intensely in oil-lubricated sliding contacts, as it is in such a highly energetic state. The generation of plasma was predicted in both dry and oil-lubricated sliding (Nakayama 1997 Japan. J. Tribol. 42 1077, Nakayama 2004 Surf. Coat. Technol. 188-189 599). However, plasma generation in industrially important oil-lubricated contacts has not yet been proven, though it has been found in dry sliding ...
A novel sodium lead pentaborate, NaPbB5O9, has been successfully synthesized by standard solid-state reaction. The single-crystal X-ray structural analysis showed that NaPbB5O9 crystallizes in the monoclinic space group P21/c with a=6.5324(10) A, b=13.0234(2) A, c=8.5838(10) A, ?=104.971(10)o, and Z=4. The crystal structure is composed of double ring [B5O9]3- units, [PbO7] and [NaO7] polyhedra. [B5O9]3- groups connect with each other forming two-dimensional infinite ?[B5O9]3- layers, while [PbO7] and [NaO7] polyhedra are located between the layers. [PbO7] polyhedra linked together via corner-sharing O atom forming novel infinite ?[PbO6] chains along the c axis. The thermal behavior, IR spectrum and the optical diffuse reflectance spectrum of NaPbB5O9 were reported. -- Graphical abstract: A new phase, NaPbB5O9, has been discovered in the ternary M2O-PbO-B2O3 (M=alkali-metal) system. The crystal structure consists of a novel infinite ?[PbO6] ...
The proton beam has an advantage of the sharp dose falloff in dose distribution called Bragg peak while conventional radiation therapy modalities such as photons exhibit considerable amount of exit dose. To take advantage of this property it is important to know the exact location of the distal dose falloff. An error can cause overdose to the normal tissue or underdose to the tumor volume. The only way of finding out the dose distribution in-situ in particle therapy is to measure the gammas produced by nuclear reactions with tissue materials. Two kinds of gammas can be used: one is prompt gamma and the other is coincident gamma from the positron-emission isotopes. We chose to detect prompt gammas, and developed a prompt gamma scanning system (PGS). The proton beams of the proton therapy facility at National Cancer Center were used. The gamma distribution was compared to the dose distribution measured by an ionization chamber at three different energies of 100, 150, ...
Phase relations in the ternary system Ce-Pd-Si have been established for the isothermal section at 800 deg. C based on X-ray powder diffraction and EMPA techniques on about 130 alloys, which were prepared by arc-melting under argon or powder reaction sintering. Eighteen ternary compounds have been observed to participate in the phase equilibria at 800 deg. C. Atom order was determined by direct methods from X-ray single-crystal counter data for the crystal structures of tau{sub 8}-Ce{sub 3}Pd{sub 4}Si{sub 4} (U{sub 3}Ni{sub 4}Si{sub 4}-type, Immm; a=0.41618(1), b=0.42640(1), c=2.45744(7) nm), tau{sub 16}-Ce{sub 2}Pd{sub 14}Si (own structure type, P4/nmm; a=0.88832(2), c=0.69600(2) nm) and also for tau{sub 18}-CePd{sub 1-x}Si{sub x} (x=0.07; FeB-type, Pnma; a=0.74422(5), b=0.45548(3), c=0.58569(4) nm). Rietveld refinements established the atom arrangement in the structures of tau{sub 5}-Ce{sub 3}PdSi{sub 3} (Ba{sub 3}Al{sub ...
When clinoptilolite is immobilized in cement-based composites, a series of reactions occur, leading to release of Cs. These reactions occur in three overlapping stages: a rapid ion exchange, followed by a somewhat slower reaction between clinoptilolite and principally the Ca(OH)_2 component of cement, and, in the longer term, slower reactions with C-S-H leading either to formation of low-lime C-S-H at temperatures below 100"0C or 11 A (1.1 nm) tobermorite at higher temperatures. Kinetic data are presented to evaluate the rate of physical consumption of the zeolites at 70 and 150"0C. Reactions occurring above 100"0C appear to result in the development of extensive microcracking of cement-zeolite composites containing 50% zeolite.
Interaction of the internal states of an atom with spatially dependent standing-wave cavity field can impart position information of the atom passing through it leading to subwavelength atom localization. We recently demonstrated a different regime of atom localization [Phys. Rev. A 72, 013820 (2005)], namely sub-half-wavelength localization through phase control of electromagnetically induced transparency. This regime corresponds to extreme localization of atoms within a chosen half-wavelength region of the standing-wave cavity field. Here we present further investigation of the simplified model considered earlier and show interesting features of the proposal. We show how the model can be used to simulate a variety of energy-level schemes. Furthermore, the dressed-state analysis is employed to explain the emergence and suppression of the localization peaks, and the peak positions ...
Laser optical pumping can be used to produce polarized alkali atom beams or polarized alkali vapor targets. Polarized alkali atom beams can be converted into polarized alkali ion beams, and polarized alkali vapor targets can be used to produce polarized H/sup -/ or /sup 3/He/sup -/ ion beams. In this paper the authors discuss how the polarized alkali atom beams and polarized alkali vapor targets are used to produce polarized ion beams with emphasis on the production of polarized negative ion beams.
The production of polarized negative ion beams by collisional pumping is described. Collisional pumping utilizes repeated charge changing collisions in a thick electron-spin-polarized gas or vapor target to form a polarized fast atom beam. The polarized fast atom beam is then partially converted into a polarized negative ion beam in a vapor target. Analysis is presented for a hydrogen beam passing through either a thick polarized H atom target or a thick polarized alkali target. Large polarizations and large currents may be possible.
The production of polarized negative ion beams by ''collisional pumping'' is described. Collisional pumping utilizes repeated charge changing collisions in a thick electron-spin-polarized gas or vapor target to form a polarized fast atom beam. The polarized fast atom beam is then partially converted into a polarized negative ion beam in a vapor target. Analysis is presented for a hydrogen beam passing through either a thick polarized H atom target or a thick polarized alkali target. Large polarizations and large currents may be possible.
Doubly-excited 2s{sup -1}2p{sup -1}3pnp autoionizing resonance series of Ne atom as well as autoionizing resonances in the 2s region of Na and Mg atoms have been studied with monochromatized synchrotron radiation. Use of charge-separated photoion-yield method allowed us to detect these weak resonances in a clarified way in the yield curves of doubly-charged ions. The observed resonance states have been interpreted with the help of MCDF calculations, and the decay processes of these resonance states are discussed briefly.
Doubly-excited 2s-12p-13pnp autoionizing resonance series of Ne atom as well as autoionizing resonances in the 2s region of Na and Mg atoms have been studied with monochromatized synchrotron radiation. Use of charge-separated photoion-yield method allowed us to detect these weak resonances in a clarified way in the yield curves of doubly-charged ions. The observed resonance states have been interpreted with the help of MCDF calculations, and the decay processes of these resonance states are discussed briefly.
Method for determining the concentration of atomic species in gases and solids. Measurement of at least two emission intensities from a species in a plasma containing the species after a sufficient time period has elapsed after the generation of the plasma and during a second time period, permits an instantaneous temperature to be established within the sample. The concentration of the atomic species to be determined is then derived from the known emission intensity of a predetermined concentration of that species in the sample at the measured temperature, a quantity which is measured prior to the determination of the unknown concentration, and the actual measured emission from the unknown species, or by this latter emission and the emission intensity of a species having known concentration within the sample.
We theoretically investigate the features of two-photon absorption in a coherently driven four-level atomic system with closed-loop configuration. It is found that two-photon absorption can be completely suppressed just by properly adjusting the relative phase of four coherent low-intensity driving fields and the atomic system becomes transparent against two-photon absorption. From a physical point of view, we explicitly explain these results in terms of quantum interference induced by two different two-photon excitation channels.
The symmetry properties of the Coulomb potential allow for a dynamical spin-1/2 description of any fixed n level of a hydrogenlike atom in a time-dependent sufficiently weak electric and/or magnetic field. An explicit expression for the time dependence of the l,m amplitudes pertaining to a general n level is derived. The derivation follows on purely algebraic operations. Based on the derivation, we give analytical n-independent solutions to established and proposed schemes for driving the atom into a high angular-momentum state.
The total and differential atomic pair-correlation functions of an icosahedral (quasicrystalline) solid were determined for the first time, directly by the differential anomalous-x-ray-scattering technique using synchrotron radiation. The observed atomic distances involving uranium atoms in icosahedral Pd/sub 58.8/U/sub 20.6/Si/sub 20.6/ suggest the presence of a quasicrystalline sublattice with vertex decoration. The pair distribution functions in the icosahedral and amorphous phases are similar up to the second-nearest neighbors, or up to 6 A-circle.
The total and differential atomic pair-correlation functions of an icosahedral (quasicrystalline) solid were determined for the first time, directly by the differential anomalous-x-ray-scattering technique using synchrotron radiation. The observed atomic distances involving uranium atoms in icosahedral Pd/sub 58.8/U/sub 20.6/Si/sub 20.6/ suggest the presence of a quasicrystalline sublattice with vertex decoration. The pair distribution functions in the icosahedral and amorphous phases are similar up to the second-nearest neighbors, or up to 6 A-circle.
The electronic structure of octahedral metal atom clusters Me/sub 6/ of 3d, 4d, and 5d transition metal atoms (V, Cr; Nb, Mo; Ta, W) has been calculated applying two different quantum-chemical approximation methods (Extended Hueckel (EH) method; SW-Xsub(alpha) method). Equilibrium structures, energy level schemes, Fermi energies and band widths as well as densities of states of clusters are discussed in detail.
The thermodynamic characteristics of adsorption of iodobenzene, 2-iodothiophene, and 1- and 2-iodoadamantanes on the surface of graphitized thermal carbon black were determined experimentally. The influence of the special features of the molecular structure of the adsorbates on the thermodynamic characteristics of adsorption was studied. The atom-atom approximation of the semiempirical molecular-statistical theory of adsorption was used to calculate the thermodynamic characteristics of adsorption of the adsorbates using the newly determined potential function parameters of pair intermolecular interaction (?(r)) of I with C atoms of the basal graphite face. For the example of isostructural monohalogenated benzenes, thiophenes, and adamantanes, a comparative analysis of the contributions of ...
The turbulent history of legislature concerned with the waste-management industry and the amount of material on this subject as well as the significance of the material in its own right led to the decision to publish all legal regulations on waste in one volume. It includes above all the Waste Law, Regulations on Determination of Waste, Regulations on Determination of Residual Products, Technical Instructions for Waste, Regulations for Monitoring Waste and Residual Products, Regulations on Probition from the Use of Chlorofluorohydrocarbons and Halon, Regulations on Packaging and Regulations on Sewage Sludge. The introduction explains the development and the role of the Waste Law and its applicability, goals and principles: The concept of waste, avoidance of waste, avoidance of waste tourism, the general welfare of the public; regulations on waste management, governmental means of monitoring waste management: Obligations to dispose of waste, compulsory waste-management plants and ...
Embryos of chicken (Gallus domesticus), domestic duck (Anas platyrhynchos), and common eider duck (Somateria mollissima) were exposed in ovo to PCBs and to polycyclic aromatic hydrocarbons. Two coplanar PCBs, 3,3{prime},4,4{prime}-tetrachlorobiphenyl (PCB {number_sign}77) and 3,3{prime},4,4{prime},5-pentachlorobiphenyl (PCB {number_sign}126), were considerably more lethal and potent as inducers of 7-ethoxyresorufin O-deethylase (EROD) in chicken embryos (Gallus domesticus) than in embryos of the other two species. In chicken embryos, these compounds caused edema and eye and beak deformities. An artificial mixture of 18 PAHs which all have been detected in environmental samples, was slightly more toxic to embryos of the domestic duck and the common eider duck than to chicken embryos. The most potent compound in the mixture was benzo(k)fluoranthene. When chicken embryo livers were exposed to 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD) in vitro, EROD was induced by very low concentrations ...
During third quarter 1994, samples from AMB groundwater monitoring wells at the Metallurgical Laboratory Hazardous Waste Management Facility (Met Lab HWMF) were analyzed for selected heavy metals, indicator parameters, radionuclides, volatile organic compounds, and other constituents. Eight parameters exceeded standards during the quarter. As in previous quarters, tetrachloroethylene and trichloroethylene exceeded final Primary Drinking Water Standards (PDWS). Bis(2-ethylhexyl) phthalate exceeded final PDWS in one well. Aluminum, iron, manganese, tin, and total organic halogens exceeded the Savannah River Site (SRS) Flag 2 criteria. Groundwater flow direction and rate in the M-Area Aquifer Zone were similar to previous quarters. Conditions affecting determination of groundwater flow directions and rates in the Upper Lost Lake Aquifer Zone, Lower Lost Lake Aquifer Zone, and the Middle Sand Aquifer Zone of the Crouch Branch Confining Unit were also similar to ...
Mild hydrotreating is the key to successful re-refining of used lubricating oils. Coupled with pre-distillation and metals removal, the process produces oil of superior color and clarity with acceptable viscosity and heteroatom content. Furthermore, the entire process provides operational simplicity, economic feasibility and environmental attractiveness. Re-refining preserves a valuable resource while solving a potential environmental problem. Increased sensitivity to disposal of hazardous material once again makes re-refining almost a necessity. Various technologies developed to re-refine used lubricating oils range from simple acid/clay contacting to complex solvent extraction. Most technologies require similar capital investment; however, operating costs vary substantially. Current technology seems to converge on a two-step procedure: distillation of dehydrated used oil in a thin-film evaporator, and subsequent hydrotreating of distilled stocks. Filtered used oil is first dehydrated ...
Present and potential future changes to the global environment have important implications for marine pollution and for the air-sea exchange of both anthropogenic and natural substances. This report addresses three issues related to the potential impact of global change on the air-sea exchange of chemicals: Global change and the air-sea transfer of the nutrients nitrogen and iron. Global change and the air-sea exchange of gases. Oceanic responses to radiative and oxidative changes in the atmosphere. The deposition of atmospheric anthropogenic nitrogen has probably increased biological productivity in coastal regions along many continental margins. Atmospheric deposition of new nitrogen may also have increased productivity somewhat in mid-ocean regions. The projected future increases of nitrogen oxide emissions from Asia, Africa and South America will provide significant increases in the rate of deposition of oxidized nitrogen to the central North Pacific, the equatorial Atlantic, and ...
Subcommittee of the Joint Committee on Atomic Energy of the United States, Outer Space Propulsion by Nuclear Energy, hearings, 85th Cong., 2d sess., 22, ...
A scheme of evaluating a generalized three-photon excitation cross section #sigma#/sub (3)/ in neutral atomic argon at 3144.67 A is outlined. Three photons at this wavelength can excite the neutral argon atoms from the ground 3p"6 "1S_0 state to the 3p"54s'[1/2]_1"0 state. The fourth photon will ionize the argon atoms. Assuming linear polarization of the incident laser radiation, contributions from several channels in various energy-level schemes are summed in the evaluation of the transition probability. For a laser linewidth of #DELTA##lambda#/sub L/ = 1 A, our maximum numerical value of the computed result for the three-photon excitation cross section is #sigma#/sub (3)/ = 1.414 x 10/sup -80/ cm"6 s"2. .AE.
The total interaction cross sections (#sigma#_t) of some sugars and amino acids and five elements: lithium, carbon, oxygen, aluminium and calcium have been measured for 6.4 keV, 13.95 keV, 14.4 keV, 17.74 keV, 24.14 keV, 30.8 keV, 35 keV, 59.54 keV, 81 keV, 122 keV and 136 keV photons in a narrow beam good geometry set up, by using high resolution detectors such as a Si-PIN diode detector and a high purity germanium detector. The #sigma#_t values have been used in a matrix method to evaluate the effective atomic numbers Z_e_f_f of the samples from their effective atomic cross sections #sigma#_a. The effective atomic cross section of a sample #sigma#_a is the total interaction cross section divided by the total number of atoms of all types in it. Further, a quantity called the effective atomic weight A_e_f_f of a sample was defined as the ratio of the molecular weight A to the total ...
The influence of a periodic electromagnetic field on the radiative corrections to the atomic energy levels is studied for the case of ''strong fields'' for which the interaction between the atom and field is of the order or greater than the radiative effects. The analysis is carried out on the basis of the Schwinger-Dirac equation for the propagation function of a bound electron in the field and on the basis of the density matrix in the Furry representation. It is shown that in the strong field approximation the radiative shifts and widths are manifest as radiative corrections to the quasi-energies. In super-high resolution experiments intensity effects in the radiative corrections to the atomic levels are obtained in the case of single-photon resonance. Some multiphoton processes are condidered by taking into account the effect of the field on the radiative structure of the levels.
A number of different theoretical approaches have been used to model to atomic structure and properties of solid-liquid interfaces. Most calculations indicate that ordering occurs in the first several layers of the liquid, adjacent to the crystal surface. In contrast to the numerous theoretical investigations, there have been no direct experimental observations of the atomic structure of a solid-liquid interface for comparison. Saka et al. examined solid-liquid interfaces in In and In-Sb at lattice-fringe resolution in the TEM, but their data do not reveal information about the atomic structure of the liquid phase. The purpose of this study is to determine the atomic structure of a solid-liquid interface using a highly viscous supercooled liquid, i.e., a crystal-amorphous interface.
by the radionuclide X-ray fluorescence analysis into several groups according to the atomic number of the determined element. Table I documents this. ...
(telescopes, cameras, mirrors, solar cookers); Explain to students that the Genesis spacecraft has a concentrator that collects special types of atoms from ...
The development of nano/molecular devices will require atomic-sized electrical contacts or nano metric conductors for wiring. As metal nano wires exhibit quantized conductance at room temperature, quantum transport effects will play an important role in the practical implementation of nano devices. As copper is currently used as interconnecting metal in standard microelectronics, the characterization of Cu nano wire properties deserves special attention. In this work, we show a detailed study of structural and electronic properties of atomic-sized Cu wires. In particular, we have established a complete correlation between the conductance and the structure by associating real-time atomic resolution transmission electron microscopy imaging with molecular dynamic simulations, conductance measurements and conductance calculations. Our study has revealed the structural relaxation of Cu wires forming a pentagonal ...
N-type crystalline Si (100) implanted with 5 keV B ions was subsequently irradiated with MeV Si, O and F ions. The B atom profiles were measured by means of secondary ion mass spectrometer after the treatment of rapid thermal annealing. The results show that the transient enhanced diffusion of B atoms is effectively limited by the post-implantation of high energy ions at high dose. At the same irradiation conditions, it is found that the existence of a SiO_2 layer in the near surface of Si is even more effective in suppressing the transient enhanced diffusion of the doped B atoms. The results are qualitatively discussed in combination with the analyses of RBS/c measurements and calculation of the DICADA code
Mechanisms and associated energetics for adatom diffusion on the (100) and (110) surfaces of Ni, Cu, Rh, Pd, and Ag are investigated. Self-diffusion was studied on (100) and (I 10) surfaces of Ni, Cu, Pd and Ag using corrected effective medium method (CEM) and approximation to CEM used for molecular dynamics and Monte Carlo studies (MD/MC-CEM). Self-diffusion on Pd(100), Ag(100), Ni(110), Cu(110), Pd(110), and Ag(110) is accomplished by classical diffusion: the adatom hops from its equilibrium adsorption site over an intervening bridge site to an adjacent equilibrium site. Self-diffusion on Ni(100) and Cu(100) proceeds by atomic-exchange diffusion: the adatom on the surface displaces an atom in the first surface layer. Aside from explicit inclusion of the kinetic-exchange-correlation energy, it is critical to include enough movable atoms in the calculation to insure correct energetics. Distortions induced by these diffusion ...
The homogeneity of a helium dielectric barrier discharge, working at atmospheric pressure and containing oxygen as contaminant, is assessed by mapping the spatial distribution of oxygen metastable atoms in relation to the uniformity of surface properties. Tunable diode laser absorption spectroscopy is used to monitor the time evolution of the absorption coefficient corresponding to the oxygen metastable atoms on the 35S2 level, as a function of the laser absorbing path, whereas bi-dimensional Abel transform is used to obtain local information on the space distribution of the metastable atoms in the discharge. The radial distribution of the surface properties is investigated using atomic force microscopy, contact angle measurement and X-ray photoelectron spectroscopy. The results show that ...
We study the ground state of an ideal coupled two-component gas of ultracold atoms in a one dimensional optical lattice, either bosons or fermions. Due to the internal two-level structure of the atoms, the Brillouin zone is twice as large as imposed by the periodicity of the lattice potential. This is reflected in the Bloch dispersion curves, where the energy bands regularly possess several local minima. As a consequence, when the system parameters are tuned across a resonance condition, a non-zero temperature topological first order phase transition occurs which arises from an interplay between initernal and kinetic atomic energies. It is shown that these phenomena are also captured for two and three dimensional optical lattices.
... Schioler (703) 306-1836 lschiole@nsf.gov This material is available primarily for archival purposes ... of superconducting materials. Colossal magnetoresistance materials are those in which the electrical ...
... (l0)6o). 316. Statf,'ent. In Hearings before the Subcommittee on Research, Do'v,-Iopment, and Radiation of the Joint Committee on Atomic Energy. ...
The thermodynamic characteristics of adsorption of iodobenzene, 2-iodothiophene, and 1- and 2-iodoadamantanes on the surface of graphitized thermal carbon black were determined experimentally. The influence of the special features of the molecular structure of the adsorbates on the thermodynamic characteristics of adsorption was studied. The atom-atom approximation of the semiempirical molecular-statistical theory of adsorption was used to calculate the thermodynamic characteristics of adsorption of the adsorbates using the newly determined potential function parameters of pair intermolecular interaction (?( r)) of I with C atoms of the basal graphite face. For the example of isostructural monohalogenated benzenes, thiophenes, and adamantanes, a comparative analysis of the contributions of the F, Cl, Br, and I atoms to the thermodynamic characteristics of adsorption was performed for the nonspecific adsorption of these ...
Abstract Electronic structures of two representative zigzag and armchair models of aluminum phosphide nanotube (AlPNT) were investigated by density functional theory calculations. The structures were optimized and the bond lengths, tip diameters, band gaps, and dipole moments were calculated. Moreover, the quadrupole coupling constants (CQ) were calculated for the Al-27 atoms of the optimized structures. The same values of AlP bond lengths were calculated for both models. The larger value of band gap of armchair model than the zigzag model indicated the stronger dielectric property for the former model. The values of CQ(27Al) were the largest for the Al atoms placed at the tips of both zigzag and armchair AlPNT than other Al atoms, which could reveal dominant role of the Al atoms placed at...
A very simple theoretical scheme is proposed to implement two- and three-qubit controlled-phase gates firstly only using a single resonant interaction between ladder-type three-level atoms and the single-mode cavity. In the presented protocol, the quantum information is encoded on the stable ground states of the atoms (as the controlling qubits) and the zero- and one-photon Fock states of cavity-field (as the target qubit). Under the influence of the atomic spontaneous emission, the decay of the cavity-mode, and deviation of the coupling strength, the three-qubit controlled-phase gate may have a comparatively high fidelity. The experimental feasibility of controlled-phase gate and the case that is extended to realize N-qubit controlled-phase gate are also discussed. (general)
The metal parts of cardiac valve prostheses cause reactions in the surrounding tissues of the heart. In some dogs rather abnormal reactions were found, and were attributed to corrosion of the stainless...Full Text Available
This book examines some of the basic principles behind chemical reaction kinetics. Topics considered include the classical trajectory approach to reactive scattering; periodic orbits and theory of reactive scattering; and semiclassical reactive scattering.
The measurement of polarization in backward scattering for the reactions $\\pi^{+} p \\rightarrow p \\pi^{+},K^{+} p \\rightarrow p K^{+}$ and $\\;\\pi^{+} p \\rightarrow \\Sigma^{+} K^{+}$
This report discusses the following topics: Fusion-fission in light nuclear systems; High-resolution Q-value measurement for the {sup 24}Mg+{sup 24}Mg reaction; Heavy-ion reactions and limits to fusion; and Hybrid MWPC-Bragg curve detector development.
The gas-solid reaction and breakthrough curves in the fixed-bed reactor are of great importance, and being influenced by a number of factors makes the prediction of these factors a difficult problem. In this study, the reaction rate between solid sorbents and hydrogen chloride gas at high temperature was first investigated. On the basis of a fixed-bed reactor, the experimental results were analyzed by the shrinking core model of diffusion and surface chemical reaction control. The results showed that reaction rates of two sorbents with hydrogen chloride gas were controlled by the combination of the surface chemical reaction and diffusion of product layers, and the reaction rates nearly keep constant within 15 h of the initial reaction period and then decrease gradually. The results of the breakthrough curves show that solid sorbents in the ...
The A(..pi../sup +/,/sup 3/He)B reaction near threshold is studied in a model where the pion is absorbed by an /sup 4/He constituent of the target nucleus. The predictions of this model using harmonic oscillator cluster wave functions agree semi-quantitatively with the experimental data on the inverse reaction.
Phenothiazine-N-carbonyl chloride inactivated chymotrypsin and trypsin by means of a 1:1 stoicheiometric reaction. Its reaction with chymotrypsin was 29 times as fast as that with...Full Text Available
A Pd(0)-catalyzed intramolecular Heck-type reaction of oxime ether has been developed, providing convenient access to heterocyclic oximes. PMID:21964259
The measured result of charged multiplicity in cosmic-ray proton induced nuclear reaction from Chinese satellite emulsion is reported. The correlation of shower and heavy particles is discussed and compared with p-emulsion interactions.
Chemical reactions in living cells are under strict enzyme control and conform to a tightly regulated metabolic program. However, uncontrolled and potentially deleterious endogenous reactions occur,...Full Text Available
Heterogeneous gasless reactive systems, including high-energy density metal-nonmetal compositions, have seen increasing study due to their various applications. However, owing to their high reaction temperature, short reaction time, and small scale of heterogeneity, investigation of their reaction mechanisms and kinetics is very difficult. In this study, microstructural changes and the kinetics of product layer growth in the W-Si system was investigated using a high-speed x-ray phase-contrast imaging technique. Using the Advanced Photon Source of Argonne National Laboratory, this method allowed direct imaging of irreversible reactions in the W-Si reactive system at frame rates up to 36 000 frames per second with 4 {mu}s exposure and spatial resolution of 10 {mu}m. Details of the Si melt and reactions between W and Si, that are unable to be viewed with visible-light imaging, were ...
Heterogeneous gasless reactive systems, including high-energy density metal-nonmetal compositions, have seen increasing study due to their various applications. However, owing to their high reaction temperature, short reaction time, and small scale of heterogeneity, investigation of their reaction mechanisms and kinetics is very difficult. In this study, microstructural changes and the kinetics of product layer growth in the W-Si system was investigated using a high-speed x-ray phase-contrast imaging technique. Using the Advanced Photon Source of Argonne National Laboratory, this method allowed direct imaging of irreversible reactions in the W-Si reactive system at frame rates up to 36 000 frames per second with 4 #mu#s exposure and spatial resolution of 10 #mu#m. Details of the Si melt and reactions between W and Si, that are unable to be viewed with visible-light imaging, were ...
The OH-initiated photo-oxidation of n-butane was used as a source of 1- and 2-butoxy radicals. Reactions producing ketones and other organic compounds are explained. Rates of photolysis were determined and are discussed.
ObjectiveTo assess the efficacy and safety of low dose adrenaline injected subcutaneously to prevent acute adverse reactions to polyspecific antivenom serum in patients admitted...Full Text Available
To examine the association of human papillomavirus (HPV) infection with anal squamous cell carcinoma, the authors applied the highly sensitive polymerase chain reaction (PCR) and in situ hybridization...Full Text Available
The high-energy reaction cross sections of Li and Be isotopes are calculated using a simplified Glauber model and densities constrained by the empirical binding energies. We find excellent agreement with experiment, reproducing the large increase for the most neutron-rich nuclei.
IntroductionRadiotherapy outcomes might be further improved by a greater understanding of the individual variations in normal tissue reactions that determine tolerance. Most published...Full Text Available
A sensitive assay based on the polymerase chain reaction for the detection of Ockelbo virus RNA was developed. Two primer pairs from the gene coding for the E2 glycoprotein were chosen. By use of a...Full Text Available
AIMS: To evaluate the sensitivity of the Roche Cobas, Roche Amplicor plate kit, ligase chain reaction (LCR), and an in house polymerase chain reaction (PCR) by titration of purified elementary bodies...Full Text Available
A high-throughput assay for enzyme activity has been developed that is reaction independent. In this assay, a small-molecule yeast three-hybrid system is used to link enzyme catalysis to transcription...Full Text Available
Anaerobic reactions of Rhus vernicifera laccase and its type-2 copper-depleted derivatives with hexacyanoferrate(II) were investigated by absorption and e.s.r. spectroscopy. When native laccase was...Full Text Available
Disclosed are additives for hydrocarbon fuels which are the reaction products of a polyamine and an alkyl ester of acrylic or alkyl acrylic acid. A preferred composition is a mixture of the reaction product and oxygenated or non-oxygenated mono- or polyamines.
One hundred and seventy-nine patients completed a questionnaire focusing on adverse reactions to dental local anesthetics as manifested by 16 signs and symptoms. Twenty-six percent of the participants...Full Text Available
The esterification reaction of a long-chain fatty acid and a fatty alcohol catalyzed by sugar ester-modified lipases in organic media was studied. The reaction activity was improved when the lipases were modified with sugar esters. Among four kinds of sugar esters and six kinds of lipases, lipase CES modified with sugar ester SE-7 showed the highest reaction activity. The pH, solvent and temperature on the reaction activity of SE-7 modified lipase CES were also studied. PMID:12142919
The cold fusion reactions leading to superheavy elements with Z=104-116 has been discussed in our model recently [5]. Presently we shortly discuss our model and extend our consideration to fusion reactions ("8"6Kr, "8"7Rb, "8"8Sr)+"2"0"8Pb and "8"6Kr+"2"0"9Bi leading to elements with Z=118-120. The available experimental cross-section data for the reactions are well described.
Efforts has been made to specify surface ozone production in photochemical reaction due to the high concentration of NO_x and photon rays. The secondary reactions has been considered via optical measurements using actinometry and pyranometry which was followed for photochemical reactions at high temperature and because of air pollutants due to the traffic load and because of the inversion in certain days. The concentration of surface ozone which was measured in Tehran city center was in the range of 24- 45 ppb in 1991-1992 and a higher concentration of 45-65 ppb was measured in 1999-2000. This high surface ozone concentration could cause a severe damage to biota, fauna and human health.
A fuel composition comprising a liquid hydrocarbon fuel and a detergent amount of the product of reaction between a polyamine and a stearic acid is described.
A black-disc model combined with accurate matter densities has been used for an investigation of reaction cross sections for {sup 3}He, {sup 4}He and {sup 12}C projectiles. A simple relation is derived between the energy dependence of the reaction cross sections and the strength of the nucleon-nucleon interaction. A comparison is also made of the reaction cross sections for {sup 3}He and {sup 4}He for six different nuclei {sup 12}C, {sup 16}O, {sup 40}Ca, {sup 58,60}Ni and {sup 208}Pb.
The development of detailed chemical kinetic reaction mechanisms for analysis of autoignition and knocking of hydrocarbon fuels is described. In particular, kinetic processes of concern for the oxidation of complex hydrocarbon fuel molecules are emphasized. The wide ranges of temperature and pressure which are encountered by end gases in automobile engine combustion chambers result in extreme demands on reaction mechanisms which are intended to describe knocking conditions and predict rates of combustion and ignition. The reactions and chemical species which are most important in each temperature and pressure regime are discussed, and the validation of these reaction mechanisms through comparison with idealized experimental results is described. 53 refs., 8 figs., 5 tabs.
Nucleosynthesis and energy production in stellar environments depend critically on nuclear reaction cross sections. Reactions induced by alpha particles are important in the helium burning stage of stars, novae, and supernovae events. They involve light to medium weight nuclei up to about Z=32, and center-of-mass energies up to about 20 MeV. We are working on a project to compile and evaluate cross section data for alpha-induced reactions. These data will eventually be used to derive #alpha#-nucleus potential parameters. (author)
Photoinduced charge separation reactions form the basis for energy storage processes in both natural and artificial photosynthesis. Moreover, rapid reversible photoinduced electron transfer reactions are a class of photophysical phenomena that can be exploited to develop schemes for optical switching. Examples from each of these fields are discussed.
A method for the calculation of excitation functions and isomer ratios, for shape isomers, in heavy ion induced reactions is proposed. The calculated values of excitation functions and isomer ratios agree very well with the experimental values for the reaction /sup 238/U(/sup 11/B, alpha 3n)/sup 242/Am. (auth)
This book examines some of the basic principles behind chemical reactions kinetics. Topics considered include ab initio determination of potential energy for chemical reactions; semi-empirical potential energy surfaces; general theory of reactive scattering: different equation approach; and integral equation approach to reactive scattering.
Using the PMR method the interaction of zirconium and hafnium tetrachlorides with tri.tet.butylphenyl ester of 1,2- naphthoquinonediazide (2)-5-sulfonic acid is studied. The formation of MCl/sub 4/xNQD complexes is established, the equilibrium constants and thermodynamic parameters of complexing reaction are determined. The presence of rapid ligand exchange, proceeding according to associative mechanism, is detected. The rate constants and activation energies of the exchange reaction are calculated.
Using the PMR method the interaction of zirconium and hafnium tetrachlorides with tri.tet.butylphenyl ester of 1,2- naphthoquinonediazide (2)-5-sulfonic acid is studied. The formation of MCl_4xNQD complexes is established, the equilibrium constants and thermodynamic parameters of complexing reaction are determined. The presence of rapid ligand exchange, proceeding according to associative mechanism, is detected. The rate constants and activation energies of the exchange reaction are calculated.
The review is devoted to the use of ionic liquids as solvents, immobilized organocatalysts and reagents in reactions involving carbon acids and 1,3-dipoles, which are widely used to prepare practically valuable organic compounds of various classes. The characteristic features of processes in the presence of ionic liquids, the effects of the structure of cations and anions on the regio-, stereo- and enantioselectivities of reactions and methods of recovery of ionic liquids are considered.
The kinetics of the reaction of carbon dioxide in MDEA solutions were studied both experimentally and theoretically. It is concluded that MDEA acts as a homogeneous catalyst for CO/sub 2/ hydrolysis, and as a result the rate of absorption in aqueous MDEA solutions is significantly larger than one would calculate by simply taking into account the alkalinity of the reaction. A possible zwitterion mechanism is proposed for this reaction. The minor effect of ionic strength were also studied with the presence of other ions. 19 references, 6 figures.
The principle of operation of shaft furnaces is explained and demonstrated in four practical examples. The conditions and parameters determining coke conversion in the combustion zone and in the Boudouard reaction range are described. The combustion process is treated as a whole while the reduction process is discussed separately for the blast furnace, the cupola furnace, and the shaft furnace. The possibilities describing the Boudouard reaction as a function of the temperature level are discussed and consequences are derived for further experimental and theoretical studies.
Unsymmetric diaryl alkynes were synthesized from the palladium-catalyzed decarboxylative coupling of aryl halides and propiolic acid using a continuous flow reaction system. This flow chemistry system continuously gave the desired products in moderate to good yields, and produced less byproduct than was formed in the batch reaction.
The reactions of alpha particles on natural abundance chromium have been studied between 40 and 110 MeV, in order to produce "5"2Fe for medical use. The yield of the reaction "5"2Cr(#alpha#,4n)"5"2Fe for Esub(#alpha#) = 85 #-># 53 MeV is only 30 #mu#Ci/#mu#Ah. (orig.).
The catalytic properties of molybdena-alumina catalysts reduced in hydrogen were studied in the function of the reduction temperature, i.e. in the function of the extent of reduction. The deuterium exchange reaction of benzene was used as model catalytic reaction. It was concluded that the reaction rate constant and the multiplicity factor decreased with the extent of reduction parallel with the change in the extent of dehydroxylation of the catalysts. (orig.)
There are 13 Electron Beam Ion Sources in operation which produce highly charged ions, up to Th[sup 80+] and Xe[sup 53+]. Most of the sources are used to study these ions under electron impact or when recombining with gaseous or solid targets. That provides an insight into the atomic physics of these highly charged ions and into the physics of the plasma in which such ions can be found. This paper reviews the present knowledge of atomic processes, important in the production of such ions with an EBIS.
There are 13 Electron Beam Ion Sources in operation which produce highly charged ions, up to Th{sup 80+} and Xe{sup 53+}. Most of the sources are used to study these ions under electron impact or when recombining with gaseous or solid targets. That provides an insight into the atomic physics of these highly charged ions and into the physics of the plasma in which such ions can be found. This paper reviews the present knowledge of atomic processes, important in the production of such ions with an EBIS.
By the methods of the angular distribution of photon annihilation, time distribution of photon annihilation, photoluminescence spectroscopy, Fourier IR-spectroscopy, atomic force microscopy the detail information on relation of the structural and physical properties of the porous nano-structures is obtained. Study of pores sizes in a different nano-porous materials, such as the porous silicon, porous anode aluminium oxide, porous solids exposed to light atoms ion implantation (hydrogen, deuterium, helium) is carried out.
We present a thorough analysis of single atom detection using optical cavities. The large set of parameters that influence the signal-to-noise ratio for cavity detection is considered, with an emphasis on detunings, probe power, cavity finesse and photon detection schemes. Real device operating restrictions for single photon counting modules and standard photodiodes are included in our discussion, with heterodyne detection emerging as the clearly favourable technique, particularly for detuned detection at high power.
Measurements of the two-body recombination of spin-polarized atomic hydrogen in a magnetic field of 40 kG have been extended to temperatures above 0.5/sup 0/K. The rate constant for the formation of parahydrogen shows an unexpected increase with temperature, which is explained by inverse predissociation into the v = 14,J = 4 level of H/sub 2/. Data indicate the level is bound by 0.7 +- 0.1/sup 0/K.
This report includes the issuances received during April 1984 from the Commission (CLI), the Atomic Safety and Licensing Appeal Boards (ALAB), the Atomic Safety and Licensing Boards (LBP), the Administrative Law Judge (ALJ), the Directors' Decisions (DD), and the Denials of Petitions for Rulemaking (DPRM).
This report includes the issuances received during the specified period from the Commission (CLI), the Atomic Safety and Licensing Appeal Boards (ALAB), the Atomic Safety and Licensing Boards (LBP), the Administrative Law Judge (ALJ), the Directors' Decisions (DD), and the Denials of Petitions For Rulemaking (DPRM).
This report includes the issuances received during the specified period from the Commission (CLI), the Atomic Safety and Licensing Appeal Boards (ALAB), the Atomic Safety and Licensing Boards (LBP), the Administrative Law Judge (ALJ), the Director's Decisions (DD), and the Denials of Petitions For Rulemaking (DPRM).
This report includes the issuances received during November, 1983, from the Commission (CLI), the Atomic Safety and Licensing Appeal Boards (ALAB), the Atomic Safety and Licensing Boards (LBP), the Administrative Law Judge (ALJ), the Directors' Decisions (DD), and the Denials of Petitions for Rulemaking (DPRM).
This report includes the issuances received during January 1984 from the Commission (CLI), the Atomic Safety and Licensing Appeal Boards (ALAB), the Atomic Safety and Licensing Boards (LBP), the Administrative Law Judge (ALJ), the Directors' Decisions (DD), and the Denials of Petitions for Rulemaking (DPRM).
This review briefly describes current efforts to develop superradiant sources of coherent radiation for the sub-nanometer range of wavelenghs, using nuclear rather than the atomic or molecular transitions that are stimulated in existing lasers. First the radiative (including Raman) interactions of nuclei with those of atoms and molecules are compared; then the present status of research on the fundamental problems involved in stimulating nuclear gamma radiation is described. (author). 20 refs.; 2 figs.
A report is presented of a hearing conducted before the Joint Committee on Atomic Energy on August 27, 1976, to discuss the legal implications for reactor licensing resulting from court challenges to procedures for assessing the environmental impact of radioactive waste disposal. (DG)
Solid state effects are taken into account in an internal conversion coefficients computation by using Wigner-Seitz boundary conditions. Both the bound and free electron wave functions are calculated from an atomic Dirac-Hartree-Fock-Slater self consistent potential. These internal conversion coefficients are compared with those obtained from the usual free atom boundary conditions.
Solid state effects are taken into account in an internal conversion coefficients computation by using Wigner-Seitz boundary conditions. Both the bound and free electron wave functions are calculated from an atomic Dirac-Hartree-Fock-Slater self consistent potential. These internal conversion coefficients are compared with those obtained from the usual free atom boundary conditions. (orig.).
Measurements of the double-electron-capture process in which a positive ion of iodine becomes a negative ion in a single collision with a magnesium atom are reported between 20 and 90 keV. The cross section is comparable to that for the rare gases and not as large as might be expected from a two-valence-electron atom. This process is probably insignificant in the production of negative ion beams using a magnesium-vapor target.
The hyperfine structure of Am atoms was investigated in an atomic beam by laser spectroscopy. The observed splittings were evaluated with respect to the magnetic dipole and electric quadrupole moments of /sup 242m/Am. The results are: ..mu../sub I/(/sup 242m/Am) = +0.97(5) nm, Q(/sup 242m/Am) = +6.5(2.0) b.
The electronic structure of octahedral metal atom clusters Me_6 of 3d, 4d, and 5d transition metal atoms (V, Cr; Nb, Mo; Ta, W) has been calculated applying two different quantum-chemical approximation methods (Extended Hueckel (EH) method; SW-Xsub(alpha) method). Equilibrium structures, energy level schemes, Fermi energies and band widths as well as densities of states of clusters are discussed in detail.
Collisional-Radiative numerical models are commonly used to design or interpret experiments in atomic physics of laser-created plasmas, including X-ray laser studies. We describe our new code containing several options: average ion, more or less detailed configurations. It consists of an atomic data base coupled to subroutines evaluating ionic populations and emission and absorption coefficients. Numerical results are given to illustrate the capabilities of the code and to compare different models and types of approximation.
The adhesion strength of polybutylene terephthalate (PBT) on aluminum was investigated using density functional theory-based total energy calculations. Aluminum atom was connected to a PBT monomer at different orientations and total energies were calculated in order to determine the most stable orientation. The energy differences showed that the Al oriented at 180degree with the ester group of the monomer bonded strongly. Using this orientation, the PBT monomer-adhesion on aluminum surface and the aluminum atom adhesion on PBT bulk were also investigated.
R-matrix analyses of neutron-induced reactions for many of the lightest p-shell nuclei are difficult due to a lack of distinct resonance structure in the reaction cross sections. Initial values for the required R-matrix parameters, E,sub(lambda) and ..gamma..sub(lambdac) for states in the compound system, can be obtained from shell model calculations. In the present work, the results of recent shell model calculations for the lithium isotopes have been used in R-matrix analyses of /sup 6/Li+n and /sup 7/Li+n reactions for E sub(n) < 8 MeV. Consequences of the shell model predictions for the level structure of /sup 7/Li and /sup 8/Li on the /sup 6/Li+n and /sup 7/Li+n reaction mechanisms and cross sections are discussed.
This experiment is carried out in the series of the investigation on the damage mechanism of carbon steel. In this paper, the damage situation is considered by structure observations. The test were carried out in 600degC-1200degC temperature range, in blowing an argon gas. The reagents are Na{sub 2}O, Na{sub 2}O{sub 2} and NaOH. From structure observations, the holes are observed on the surface of iron-base material in some test conditions. This result is indicated that the selective reaction occurs. The selective reaction is more obvious as the time exposed to the high temperature is longer. It is considered that the selective reaction occurs after the chemical reaction between iron-base material and sodium compound. The areas, in which Mn-concentration is higher, are observed in products on the surface of specimen. (author)
In the course of designing a catalytic porous membrane reactor for experimental studies, both inside and outside of the non-reaction zones as well as the two ends of the membrane need to be completely sealed to ensure that there is no flow across the membrane in the non-reaction zone. Experiments show that up to 50% of the total flow across the membrane may be contributed by the axial flow along the wall of the non-reaction zones if only one side of the membrane is sealed. Another problem that cannot be solved by sealing is the capillary flow of the catalyst along the tube wall into the non-reaction zones when the catalyst is doped on the membrane. One of the best ways to avoid this axial flow of catalyst would be to use non-porous tubes in the non-reaction zones and join them with the porous membrane tube. In doing so, the cost of the membrane reactor could be reduced simply ...
In terms of the reduced potential energy barrier ? = ?uTS/kT, the rate coefficients for chemical reactions are usually expressed as proportional to e-?. The coupling between vibrational modes of the medium to the reaction coordinate leads to a proportionality of the regularized gamma function of Euler Q(a,?) = ?(a,?)/?(a), with a being the number of modes coupled to the reaction coordinate. In this work, the experimental rate coefficients at various temperatures for several chemical reactions were fitted to the theoretical expression in terms of Q(a,?) to determine the extent of its validity and generality. The new expression affords lower deviations from the experimental points in 29 cases out of 38 and it accounts for the curvature in the logarithmic plots of rate coefficients versus inverse temperature. In the absence of tunneling, conventional theories predict the curvature of these plots to be ...
Macrokinetics of benzene sulfonation in liquid-liquid and gas-liquid systems has been studied in continuous mixed reactors. It has been shown that the rate of sulfonation of benzene at 25/sup 0/C in two liquid phases using concentrated sulfuric acid is kinetically controlled. Whereas the rate of the latter reaction by gaseous sulfur trioxide at the same temperature is largely affected by the diffusional phenomena. At this temperature, the rate of reaction in gas-liquid system was described by a model assuming a fast reaction in the liquid phase. However, by increasing the temperature, the fast reaction region gradually changed to instantaneous reaction regime. A model, describing such a regime has also been developed and verified experimentally.
A detailed chemical kinetic reaction mechanism is developed for primary reference fuel mixtures of n-hexadecane and 2,2,4,4,6,8,8-heptamethyl nonane for diesel cetane ratings. The mechanisms are constructed using existing rules for reaction pathways and rate expressions developed previously for the primary reference fuels for gasoline octane ratings, n-heptane and iso-octane. These reaction mechanisms are validated by comparisons between computed and experimental results for shock tube ignition and for oxidation under jet-stirred reactor conditions. The combined kinetic reaction mechanism contains the submechanisms for the primary reference fuels for diesel cetane ratings and submechanisms for the primary reference fuels for gasoline octane ratings, all in one integrated large kinetic reac...
A detailed chemical kinetic reaction mechanism is developed to describe incineration of the chemical warfare nerve agent sarin (GB), based on commonly used principles of bond additivity and hierarchical reaction mechanisms. The mechanism is based on previous kinetic models of organophosphorus compounds such as TMP, DMMP and DIMP that are often used as surrogates to predict incineration of GB. Kinetic models of the three surrogates and GB are then used to predict their consumption in a perfectly stirred reactor fueled by natural gas to simulate incineration of these chemicals. Computed results indicate that DIMP is the only one of these surrogates that adequately describes combustion of GB under comparable conditions. The kinetic pathways responsible for these differences in reactivity are identified and discussed. The most important reaction in GB and DIMP that makes them more reactive than TMP or DMMP is found to be a ...
This paper examines cupric chloride solid conversion during hydrolysis in a thermochemical copper-chlorine (Cu-Cl) cycle for hydrogen production. The hydrolysis reaction is a challenging step, in terms of the excess steam requirement and the decomposition of cupric chloride (CuCl_2) into cuprous chloride (CuCl) and chlorine (Cl_2). The hydrolysis and decomposition reactions are analyzed with respect to the chemical equilibrium constant. The effects of operating parameters are examined, including the temperature, pressure, excess steam and equilibrium conversion. A maximization of yield and selectivity are very important. Rate constants for the simultaneous reaction steps are determined using a uniform reaction model. A shrinking core model is used to determine the rate coefficients and predict the solid conversion time, with diffusional and reaction control. These new results are ...
The kinetics of the reactions between mixed powders of BaCO_3 and CuO, as well as BaCO_3 and Y_2O_3, have been studied using DXRD techniques as a function of particle size, temperature, and CO_2 pressure. Except for initial nucleation phenomena, the reaction rates are governed by shrinking core behavior for BaCO_3 particle sizes between 6 and 33 #mu#m. During the initial stages of the reactions, the surface reaction kinetics are governing, whereas the diffusion of CuO, Y_2O_3, and CO_2 are limiting factors at later stages in the reactions. Quantitative conversion data were used to determine the values of the activation energies and the pertinent diffusivities in these systems.
In this paper, we show that boron transient enhanced diffusion can be reduced to different extents by varying the distribution of nitrogen atoms in the junction. This is attributed to the relative location of nitrogen atoms with respect to boron profile and end-of-range defect band, affecting the interactions between dopants and defects upon annealing. In addition, variations in boron dopant activation and deactivation are also observed. Similar to fluorine co-implantation, it is proposed that nitrogen atoms react with vacancy point defects to form nitrogen-vacancy clusters that will trap the interstitials emitted from end-of-range defects. However, we report that the interstitial sink efficiency of nitrogen atoms is not as good as the co-implanted carbon atoms, which is noticed from the dopant deactivation curves. In terms of extended defect evolution, the results clearly indicate ...
We investigate the features of the spontaneous emission spectra in a coherently driven cold five-level atomic system by means of a radio frequency (rf) or microwave field driving a hyperfine transition within the ground state. It is shown that a few interesting phenomena such as spectral-line narrowing, spectral-line enhancement, spectral-line suppression, and spontaneous emission quenching can be realized by modulating the frequency and intensity of the rf-driving field in our system. In the dressed-state picture of the coupling and rf-driving fields, we find that this coherently driven atomic system has three close-lying levels so that multiple spontaneously generated coherence (SGC) arises. Our considered atomic model can be found in real atoms, such as rubidium or sodium, so a corresponding experiment can be done to observe the expected phenomena related to SGC reported by Fountoulakis et al. [Phys. ...
This report summarizes the progress and accomplishments in accelerator atomic physics research supported by DOE grant DE-FG02-87ER13778 from February 16, 1990 through February 15, 1993. This work involves the experimental investigation of atomic interactions in collisions of charged projectiles with neutral targets or electrons, with particular emphasis on two-electron interactions and electron-correlation effects. The processes studied are of interest both from fundamental and applied points of view. In the latter case, results are obtained which are relevant to the understanding of laboratory and astrophysical plasmas, highly-excited (Rydberg) and continuum states of atoms and ions, atomic structure effects, the interaction of ions with surfaces, and the development of heavy-ion storage-rings. The results obtained have provided the basis for several M.A. thesis projects at Western Michigan and several ...
The reactions between (100) GaAs and the near-noble metals Ni, Pd, and Pt have been investigated by application of high-resolution transmission electron microscopy (TEM), energy-dispersive analysis of x rays in the scanning TEM and Rutherford backscattering spectrometry. Emphasis is placed on the evolution of the phase distributions, film compositions, and interface morphologies during annealing at temperatures up to 480 /sup 0/C. The first phase in the Ni/GaAs reaction is shown to have the nominal composition Ni/sub 3/GaAs. Ternary phases of the type Pd/sub x/GaAs are also found to be the dominant products of the Pd/GaAs reaction. Conversely, only binary phases result from the Pt/GaAs reaction. These observations are used to construct isothermal sections of the M--Ga--As thin-film phase diagrams. The behavior of a thin (1--2 nm) native oxide--hydrocarbon layer during the Ni/GaAs, Pd/GaAs, and Pt/GaAs ...
Theoretical interpretation of fast-charged-particle spectra, observed in the #alpha#-particle-induced reactions on the s-d shell nuclei (A = 24-28), in terms of the Intranuclear Cascade Model and the GDH exciton model (ALICE) is presented. The de-excitation of the excited residual nuclei is accounted for by the evaporation process. The theoretically predicted fast-proton and #alpha#' spectral shapes compare reasonably well with the corresponding measured spectra. However, the magnitude depends critically (as expected) on the reaction cross section employed by the model. As a first step to improve the model predictability of the reaction products, a closer look at the calculation of the #alpha#-particle reaction cross sections was undertaken. A microscopic approach using the optical theorem of Glauber's theory was employed to estimate the #alpha#-induced reaction cross sections for ...
It was previously reported that the tritium tracer method is useful for the quantitative consideration of hydrogen behavior in coal during coal liquefaction reaction. Tetralin is excellent hydrogen donating solvent, and is considered as one of the model compounds of coal. In this study, effects of H2S and H2O on the hydrogen exchange reaction between tetralin and gaseous hydrogen labeled by tritium were investigated. It was suggested that the conversion of tetralin and the hydrogen exchange reaction between gaseous hydrogen and tetralin proceed through the radical reaction mechanism with a tetralyl radical as an intermediate product. When H2S existed in this reaction, the hydrogen exchange yield increased drastically without changing the conversion yield. This suggested that the hydrogen exchange reaction proceeds even in the reaction where ...
Rhenium is technetium`s third row congener and exhibits many of the chemical properties that technetium displays. Theoretically, a Re-PhAT complex will be isostructural with the {sup 99m}Tc PhAT complexes that have been prepared for use as brain imaging agents. A series of neutral rhenium(V) oxo complexes was synthesized by the reaction of ReOBr{sub 4}{sup {minus}} with diamino-thiol-thioether ligands of the type (RSC(CH{sub 3}){sub 2})CH{sub 2}NH(o-C{sub 6}H{sub 4})NHCH{sub 2}C(CH{sub 3}){sub 2}SH. The complexes were characterized by IR, UV/visible, and {sup 1}H and {sup 13}C NMR spectroscopy and by fast-atom-bombardment mass spectroscopy. The single-crystal X-ray structure determination on two of the complexes, where R = CH{sub 2}CH{double_bond}CH{sub 2} and CH{sub 2}CH{sub 2}-CH{sub 3}, showed them to consist of a square pyramidal Re{sup V}ON{sub 2}S{sub 2} core. ReO[CH{sub 2}{double_bond}CHCH{sub 2}SC(CH{sub 3}){sub 2}CH{sub 2}N(o-C{sub ...
Fuel cell vehicles have been identified as the personal transportation technology of the future because of their high efficiency and very low emissions. To achieve the goal of road-ready fuel cell vehicles, great strides must be made in the development of fuel cells, hydrogen production and hydrogen storage technologies, that includes metal-H interaction studies and safety considerations. The interaction between two-hydrogen atoms and a {gamma}-Fe structure containing a vacancy has been studied using a cluster model and a theoretical method. For the study of the sequential absorption, the hydrogen atoms were positioned in their energy minima configurations, near the vacancy. The interactions mainly involve Fe 4s-H 1s atomic orbitals. The contribution of Fe 4p and Fe 3d orbitals is much less important. The Fe-Fe bond is weakened as new Fe-H-H and H-H pairs were formed. The effect of H atoms is limited to ...
The absolute cross sections of "2"3Na(p,n)"2"3Mg, "2"7Al(p,n)"2"7Si and "3"0Si(#alpha#,n)"3"3S reactions were measured in the incident energy range of 5.05 to 5.80, 5.80 to 6.25 and 3.975 to 6.235 MeV respectively using a spherically shaped 4#pi# neutron detector. In the energy range 5.80 to 7.80 and 6.235 to 11.30 MeV the absolute cross sections of "2"3Na(p,n)"2"3Mg and "3"0Si-(#alpha#,n)"3"3S reactions were determined by optical model calculations. The cross sections of the inverse reactions "2"3Mg(n,p)"2"3Na and "3"3S(n,#alpha#)"3"0Si were also calculated by the same method for the neutron energy range of 10 keV to 7.50 MeV for each reaction. The cross section of the latter reaction in the neutron energy range of 10 keV to 840 keV was also determined from its inverse reaction "3"0Si(#alpha#,n)"3"3S by the application of the detailed balance theorem. The ...
Properties of a two-level atom coupled to the quantized electromagnetic field at finite temperature are studied. The analysis is based on a new method (inspired by QED) of describing qubits, developed previously by us at zero temperature (Phys. Rev. A 76, 062106 (2007)). In this paper, we make a generalization to finite temperature by introducing the Matsubara formalism and the temperature propagators. We analyze the spectral properties of different types of propagators and we derive a direct connection between the temperature propagators and the real time propagators. To show the effectiveness of this method, we calculate the temperature dependence of the polarizability of a two-level atom in the lowest order of perturbation theory and we predict an unexpected sharpness in the resonance behavior. The whole discussion is carried out without making the rotating wave approximation.
Direct visualization of rare earths in @a- and @b-SiAlON unit-cells is performed through Z-contrast imaging technique in an aberration-corrected scanning transmission electron microscope. The preferential occupation of Yb and Ce atoms in different interstitial locations of @b-SiAlON lattice is demonstrated, yielding higher solubility for Yb than Ce. The triangular-like host sites in @a-SiAlON unit cell accommodate more Ce atoms than hexagonal sites in @b-SiAlON. We think that our results will be applicable as guidelines for many kinds of rare-earth-doped materials.
The evolution of metallic substance atomic structure is studied on temperature variation including crystal heating up to melting points, a crystal- liquid phase transition and initiation of a high-density liquid specific structure. It is marked that heat induced changes of simple metal structure can be described as changes around a natural elementary cell which is common for both a crystal and a liquid and consists of a central atom and Z_1 atoms of the first coordination sphere. On this basis the vacancy model of melting is verified. Concentrations of melting vacancies are determined by coordination numbers in the form of Z_1/(1+Z_1)"2 which are the same for both a crystal and a natural elementary cell. The size of natural elementary cells is in an agreement with that of the coordination sphere featured in the liquid and phase transition statistical theory. Calculated data are given for a number of metals, Cs, Eu, Ni, V ...
A technique has been developed which enables the direct sputter generation of atomic negative ion beams of all members of the Group IA elements (Li, Na, K, Rb and Cs). The method is based on the use of sputter samples formed by pressing mixtures of the carbonates of the Group IA elements and 10% (atomic) Cu, Ag or other metal powders. The following intensities are typical of those observed from carbonate samples subjected to approx. = 3 keV cesium ion bombardment: Li/sup -/: greater than or equal to 0.5 ..mu..A; Na/sup -/: greater than or equal to 0.5 ..mu..A; K/sup -/: greater than or equal to 0.5 ..mu..A; Rb/sup -/: greater than or equal to 0.5 ..mu..A; Cs/sup -/: greater than or equal to 0.2 ..mu..A.
We study the stability of the circular orbits of the electromagnetic two-body problem of classical electrodynamics. We introduce the concept of resonant dissipation, i.e. a motion that radiates the center-of-mass energy while the interparticle distance performs bounded oscillations about a metastable orbit. The stability mechanism is established by the existence of a quartic resonant constant generated by the stiff eigenvalues of the linear stability problem. This constant bounds the particles together during the radiative recoil. The condition of resonant dissipation predicts angular momenta for the metastable orbits in reasonable agreement with the Bohr atom. The principal result is that the emission lines agree with the predictions of quantum electrodynamics (QED) with 1 percent average error even up to the $40^{th}$ line. Our angular momenta depend logarithmically on the mass of the heavy body, such that the deuterium and the muonium atoms ...
Pulsed atomic beams produced in vacuum by laser induced ablation from a lithium target are analyzed by laser induced fluorescence (LIF). The 1-mixing processes induced in the n = 9, 10 Li Rydberg states by collisions with CO_2 molecules illustrate the application of the method. Resolution is limited by the 1 mm diameter of the probe laser beam. Combining LIF and absorption measurements gives n_L_i as a function of time at various distances from the target surface. The investigation of the Li-C0_2 1-mixing process in a heat pipe oven proved impossible due to the high reactivity of Li with C0_2. This problem was solved by renewing the Li atoms at each laser shot. Values obtained for n = 9, n = 10 are k = 17 x 10"-"8 and 15 x 10"-"8 cc/sec, respectively.
This paper attempts to explain the peculiarities of the radial-distribution function of metal glasses without involving ideas of the amorphous structure. On a computer, the radial atomic density for a spherical eutectic single crystal of the composition Fe/sub 84/C/sub 16/ of radius 15 A formed by alternating small crystals of e-Fe and Fe/sub 3/C of cubic form with the edge of the cube ca 10 A. For the sake of clarity, the diagram of such a quasisingle crystal is shown and has been given a cubic boundary. The change in the relationship between the heights of the subpeaks of the second maximum of the radial distribution function of atoms in the Fe-B glasses with a change in the concentration of boron can be explained by the change in the space group of the Fe/sub 3/B metastable boride which is formed in this system.
Korea Atomic Energy Research Institute (KAERI) has many R and D facilities in operation, including HANARO research reactor, radioactive waste treatment facility (RWTF), post-irradiation examination facility (PIEF) and irradiated material test facility (IMEF). Recently, nation-wide interest is focused on the safety and security of major industrial facilities. Safe operation of nuclear facilities is imperative because of the consequence of public disaster by radiological release/ contamination, in case of an accident. Recently, Ministry of Science and Technology (MOST) of the Korean government announced amendments of Atomic Energy laws to enforce requirements of the physical protection and radiological emergency. In this paper, the context of amended Atomic Energy laws were reviewed to confirm quality assurance measures and identify additional QA activities, if any, that is required by the amendment
There have been several reports of transient-enhanced diffusion during furnace or rapid thermal annealing of ion-implanted silicon and some reports of no enhancement. In this contribution, the authors show that many of the observed effects can be accounted for by an interstitial trapping mechanism, in which large numbers of Si atoms are trapped by group V dopant atoms in the amorphous material during implantation. These trapped atoms are retained during solid-phase-epitaxial (SPE) growth, but can be released later during thermal processing to give the transient-enhanced diffusion. The authors present a model which can predict the transient effects (or lack of them) for any concentration of Sb, Bi, or As dopants sufficient to amorphize the silicon and any thermal processing technology which relies on SPE growth (furnace, cw laser, or rapid thermal annealing).
The FLAPW (full-potential linearized-augmented plane-wave) method is one of the most accurate first-principles methods for determining electronic and magnetic properties of crystals and surfaces. Until the present work, the FLAPW method has been limited to systems of less than about one hundred atoms due to a lack of an efficient parallel implementation to exploit the power and memory of parallel computers. In this work we present an efficient parallelization of the method by division among the processors of the plane-wave components for each state. The code is also optimized for RISC (reduced instruction set computer) architectures, such as those found on most parallel computers, making full use of BLAS (basic linear algebra subprograms) wherever possible. Scaling results are presented for systems of up to 686 silicon atoms and 343 palladium atoms per unit cell, running on up to 512 processors on a CRAY T3E parallel ...
All-atom molecular dynamics simulations were used to study the morphology of polymer/inorganic composite particles prepared by heterocoagulation. The results were also compared to those of our previous study of the preparation of TiO2/poly(acrylic acid-co-methyl methacrylate) and Fe3O4/polystyrene composite particles. In the simulation system, polymer or inorganic particles were simulated by surface-charge-modified C60 or Na atoms. Through a combination of analysis of the radial distribution functions of charged atoms and snapshots of the equilibrated structure, three kinds of particle distributions were observed under different conditions. When the polymer and inorganic particles had opposite surface charges and their sizes were very different, the composite morphology showed a core-shell...
Changes in mass density of amorphous Pd{sub 80}Si{sub 20} were monitored in situ during irradiation with He{sup 2+} and H{sup +} ions at temperatures below 100 K and during subsequent thermal treatment. The mass density decreased with increasing ion fluence and exponentially approached a saturation value of -1.2%, corresponding to a recombination volume of 190 atomic volumes. The initial swelling rate was 2.3 atomic volumes/displaced atom. The mass density of the irradiated material increased during subsequent thermal treatment, and the irradiation-induced decrease of the mass density recovered completely at room temperature.
The advent of carbon nanotubes, which are graphite layers convoluted in cylinders several nanometers in diameter and several micrometers in length, as well as the experiments on implanting metal atoms in such tubes open the way to producing nanoconductors and other materials with unique properties. For theorists, the basic challenge is interpreting and predicting the structure and properties of these systems. The linearized augmented-plane-wave method (LAPW) is one of the most accurate methods in the theory of the electronic structure of solids. A generalization of this method for quasi-two-dimensional systems, surface electronic states, and layered crystals is known. The LAPW theory for quasi-unidimensional systems, which exhibit translational symmetry in one direction, has been absent thus far. In this paper, the authors suggest a version of such a theory and use this method to calculate the electronic structure of carbyne (a linear chain of carbon ...
A detailed comparison of the softness of gold and silver has been reported in the light of hard soft acid base (HSAB) principle. Gold and silver nanoparticles in organic media (i.e., organosol) have been exploited individually to establish the principle. Sulfur and nitrogen were employed as soft and borderline donating atoms to examine the metal-ligand interactions. In this regard, thiols and amines have been considered as interacting ligands with sulfur and nitrogen donor atoms respectively. The stronger affinity of gold towards softer sulfur donor as compared to nitrogen and conversely a reasonable interaction of silver nanoparticles with both the atoms authenticate the softer nature of gold nanoparticle as compared to silver one.
Using hydrogen at high pressures of up to 150 bar as an OH scavenger in aqueous MV"2"+ solutions (pH 1) it is possible to differentiate between two kinds of transient formed simultaneously by H-atom attack on methyl viologen. One of them is assigned to an H adduct on the N atom, MV"+H"+, with absorption bands identical to those of the radical cation, MV"+. The MV"+H"+ species deprotonates forming the long-lived radical cation, MV"+. The second type of transient produced is attributed to an H-adduct on the ring carbon, MV"2"+H, decaying by second-order kinetics. The formation of MV"+ by electron transfer from the propan-2-ol radical has been reinvestigated (pH 0 to 7); its absorption spectrum does not change in this pH range. Rate constants and molar extinction coefficients are presented. (U.K.).
Applying diode-laser resonant fluorescence method, the cross sections for the excitation energy transfer of the collisional process K"*(4"2P_1_/_2)+Cs(6"2S_1_/_2)#reversible#K"*(4"2P_3_/_2)+Cs(6"2S_1_/_2) have been measured. The values we have obtained are #sigma#(1/2#->#3/2)=77 A"2 and #sigma#(3/2#->#1/2)=48 A"2. These results complete the sequence of data for the fine-structure mixing of the first-resonance states of alkali atoms colliding with the ground-state caesium atoms. (orig.).
Cluster calculations of the electronic structure and charge distribution in V_3Si have been performed using two different molecular orbital methods: a semiempirical LCAO and the MS X#alpha# model. The results are compared with X-ray emission spectra and band structure calculations. An analysis of the calculated electronic distribution reveals a charge transfer from Si-atoms to V-atoms, the additional charge on a V-atom being 0.6e (LCAO) and 0.4e (MS X#alpha# method). The results are in good agreement with experiment, which indicates that the cluster approach is adequate for the description of charge distributions and spectra characteristics of the A-15 compounds. (author).
Electron charge distributions are presented for Nb_3Ge, Nb_3Al, and two other hypothetical A-15 structures. Results indicate that the bonding in these materials is mainly metallic in character with some covalentlike bonding between Nb-chain atoms. We find significant coupling between neighboring chains and also between chain atoms and atoms at the cubic site. Comparison is made with various theoretical models. Investigation of the charge character of states near E/sub F/ suggests further developments in current theories on the structural transformation of A-15 compounds. The effect of chain dimerization on electronic states and charge distribution of Nb_3Ge is also investigated.
Electron charge distributions are presented for Nb3Ge, Nb3Al, and two hypothetical A-15 structures. Results indicate that the bonding in these materials is mainly metallic in character with some covalentlike bonding between Nb-chain atoms. We find significant coupling between neighboring chains and also between chain atoms and atoms at the cubic site. Comparison is made with various theoretical models. Investigation of the charge character of states near EF suggests further developments in current theories on the structural transformation of A-15 compounds. The effect of chain dimerization on electronic states and charge distribution of Nb3Ge is also investigated.
Electron charge distributions are presented for Nb/sub 3/Ge, Nb/sub 3/Al, and two other hypothetical A-15 structures. Results indicate that the bonding in these materials is mainly metallic in character with some covalentlike bonding between Nb-chain atoms. We find significant coupling between neighboring chains and also between chain atoms and atoms at the cubic site. Comparison is made with various theoretical models. Investigation of the charge character of states near E/sub F/ suggests further developments in current theories on the structural transformation of A-15 compounds. The effect of chain dimerization on electronic states and charge distribution of Nb/sub 3/Ge is also investigated.
Inputs on radiological conditions forms the basis of implementation of effective exposure control to plant personnel in nuclear power station. Radiation monitoring system provides this input to the plant operator as well as to health physics group. Several design modifications have been incorporated in the Radiation Monitoring System at Tarapur Atomic Power Station (TAPS 3 and 4) over the similar systems at Kakrapar Atomic Power Station (KAPS) and Kaiga Generating Station (KGS). The radiological monitoring systems installed at TAPS unit 3 and 4 includes on line Radiation Data Acquisition System (RADAS), Emergency sampling system, effluent monitoring system and environmental monitoring system. The design changes and the versatile use of these systems are presented in this paper. (author)
The concept of the 'white-light cavity' has recently generated considerable research interest in the context of gravitational wave detection. Cavity designs are proposed using negative (or anomalous) dispersion in an intracavity medium to make the cavity resonate over a large range of frequencies and still maintain a high cavity build-up. This paper presents the first experimental attempt and demonstration of white-light effect in a meter long ring cavity using an intracavity atomic medium. The medium's negative dispersion is caused by bi-frequency Raman gain in an atomic vapor cell. Although the white light condition was not perfectly achieved and improvements in experimental control are still desirable, significantly broad cavity response over bandwidth greater than 20 MHz has been observed. These devices will have potential applications in new generation laser interferometer gravitational wave detectors.
This document comprises the final technical report for atomic collisions research supported by DOE grant No. DE-FG02-87ER13778 from September 1, 2001 through August 31, 2004. The research involved the experimental investigation of excitation and charge-changing processes occurring in ion-atom and ion-molecule collisions. Major emphases of the study were: (1) interference effects resulting from coherent electron emission in H2, (2) production of doubly vacant K-shell (hollow ion) states due to electron correlation, and (3) formation of long-lived metastable states in electron transfer processes. During the period of the grant, this research resulted in 23 publications, 12 invited presentations, and 39 contributed presentations at national and international meetings and other institutions. Brief summaries of the completed research are presented below.
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.
We performed polarized neutron reflectometry (PNR) experiments on a 29 nm thick Au{sub 93}Fe{sub 7} film in a temperature range from 295 K down to 2 K in a vertical magnetic field up to 6 T. These high-field experiments were performed on the C5 spectrometer in Chalk River, Canada, using a split-pair cryomagnet. The magnetization as determined by PNR can be described with a Brillouin function from 295 K down to 50 K assuming the magnetic moment of isolated Fe atoms, i.e. 4{mu}{sub B} per Fe atom. Below 50 K the onset of the spin-glass freezing is observed as a strong deviation from this Brillouin type behavior of isolated atoms.
The effect of adriamycin in combination with radiation on the skin reactions of mouse feet has been examined under a variety of experimental conditions including: (a) hyperthermic treatment of the foot immediately following adriamycin administration, with the former given either just before or just after x irradiation, and (b) fractionated treatments of drug and radiation in a variety of sequences over an 18-day period. In the case of the most severe hyperthermic treatment, no increased radiation reactions were observed in the presence of adriamycin. However, in the case of the less severe hyperthermic treatment a small but significant increase in skin reactions was observed. In the study of fractionated drug and radiation treatments, an enhancement of reaction in those animals receiving combined modality treatment over those receiving radiation alone was seen in those groups where the initiation of ...
In this thesis the rate constants for a number of radical reactions in aqueous solution have been studied in a wide temperature range. The reactions of H with H_2O_2, OH and HO_2 and the reactions of HO_2 with OH, Fe"2"+ and Cu"2"+ have been studied. For each reaction rate constants have been determined as a function of temperature using the technique of high temperature, high pressure (HTP) pulse radiolysis. The rate constants were obtained by fitting a kinetic computer model to the experimental data. From an Arrhenius plot the activation energy of each reaction was determined. The data determined in this way are important for modeling of radiolysis in nuclear light water reactors. A previously developed model for calculation of the effect of water radiolysis products on oxidation and dissolution of spent nuclear fuel has been improved. In the new model, called TraRaMo, ...
Enzymatic reactions in non-aqueous media have been shown to be effective in carrying out chemical transformation where the reactants are insoluble in water or water is a byproduct limiting conversion. Ionic liquids, liquid organic salts with infinitesimal vapor pressure, are potentially useful alternatives to organic solvents. It is known that the thermodynamic water activity is an important variable affecting the activity of enzymes in non-aqueous solvents. This study investigated the influence of water activity on the esterification of geraniol with acetic acid in ionic liquid [bmim]PF6 catalyzed by immobilized Candida antarctica lipase B. The conversion of geraniol in [bmim]PF6 was significant although the reaction rate was slower than in organic solvents. The profile of initial reaction rate-water activity was determined experimentally, and differed from the data reported for other non-aqueous solvents. A maximum in the ...
Experimentally investigated nuclear reactions for production of no-carrier-added "7"7Br and "7"7Kr were critically surveyed. The survey covered nine reactions for the formation of "7"7Br and six reactions for "7"7Kr. Both radionuclides are simultaneously produced in many of the studied nuclear processes. The experimental data were compared with the results of nuclear model calculations based on the computer code ALICE-IPPE and the third version of TALYS-based Evaluated Nuclear Data Library, TENDL-2010. Good agreement was found over extended energy regions for the p-, "3He- and #alpha#-particle induced reactions on several target materials. In case of d-induced reactions, however, considerable discrepancies were noted between the experimental and theoretical data. The concordant sets of experimental cross section data for each reaction were fitted by a polynomial ...
The research has involved the characterization of catalyst acidity, [sup 2]D NMR studies of Bronsted acid sites, and kinetic, calorimetric, and spectroscopic studies of methylamine synthesis and related reactions over acid catalysts. Approach of this work was to explore quantitative correlations between factors that control the generation, type, strength, and catalytic properties of acid sites on zeolite catalysts. Microcalorimetry, thermogravimetric analysis, IR spectroscopy, and NMR spectroscopy have provided information about the nature and strength of acid sites in zeolites. This was vital in understanding the catalytic cycles involved in methylamine synthesis and related reactions over zeolite catalysts.
The reactions of native bovine catalase with superoxide and solvated electrons have been investigated using three different methods for generating these reducing substrates: [gamma]-radiolysis of oxygenated or deaerated buffer solutions in the presence of an OH radical scavenger; either xanthine or acetaldehyde with xanthine oxidase; and low-temperature (77 K) [gamma]-radiolysis of buffered ethylene glycol/water solutions with subsequent annealing of samples at 183 K. (Author).
Geochemical model is a kind of concept model which describes geochemical processes by means of chemical reaction equations and mathematical formula, and the software based on the concept model are called geochemical modeling code. Geochemical modeling codes can be divided into three categories: mass equilibrium, mass transfer and mass transport code. The major functions of geochemical codes include the calculation of forms of occurrence of elements, the prediction of direction of various geochemical reaction, the dissolution and precipitation of elements, the pH and Eh value, the rate and path of geochemical reaction in aqueous solution.
Discrepancies between the energy level schemes of "1"0"9Cd determined by radioactive decay studies and "1"1"0Cd(d, t) reaction studies were investigated by a new study of the "1"1"0Cd(d, t) reaction. Sixteen triton groups were found, J/sup pi/ assignments were made, and spectroscopic factors and fullnesses of single particle states were determined and compared with those for isotonic nuclei. The results remove or clarify all previous discrepancies.
The constants, applied in the phenomenological approaches for describing the nuclear reactions with the high transmitted pulse, are obtained within the frames of the multiquark flucton microscopic model. The constants values prove to be universal for all the nuclei and independent on the collision energy and flucton properties (excluding its mass), i.e. the peculiar scaling is manifested in the reaction cross sections. The theoretically obtained values of these constants are in good agreement with the phenomenological values, derived from the (p, p'X) reaction cross sections on the nuclei for X=d, t, "3He
In the reaction sup(nat)Ag + /sup 40/Ar (285 MeV) there have been measured the energy spectra of the isotopes of elements from H to Cl at an emission angle of 40/sup 0/, the energy spectra and angular distributions of /sup 1/H, /sup 2/H, /sup 3/H, and /sup 4/He, and the angular distributions of Li, Be, B, and C. The contribution from multinucleon transfer reactions to the formation of light charged particles is discussed.
The aim of this textbook is to present a relatively simple treatise of the theoretical principles and working methods of photochemistry, key photochemical reactions and important practical applications to enable the reader (a basic knowledge of chemistry is assumed) to work independently is this field. In accordance with the broad scale of this subject, which cuts across numerous disciplines, the topics treated range from photochemical, photophysical and spectroscopical fundamentals, through associated work procedures and methods of evaluation and the various types of reactions to photochemical processes in nature and applied technology. The photochemical properties and reactions of organic and inorganic compounds (preferably coordination compounds) are discussed in each chapter.
A 60-year-old male was bitten by a venomous snake (Vipera ammodytes) and gradually developed signs of an allergic reaction including generalized itching, generalized rash, and chest discomfort. This was followed by severe retrosternal pain with electrocardiographic evidence of an inferior myocardial ischemia progressing to acute myocardial infarction. Cardiac enzymes and troponin, serum tryptase, and histamine were elevated. Coronary arteriography showed normal coronary arteries. This is a characteristic type I variant of Kounis syndrome, which is the concurrence of acute coronary syndromes with conditions associated with mast cell activation including allergic or hypersensitivity reactions as well as anaphylactic or anaphylactoid reactions. This is the first report to show that viper bite...
Two patients are described in whom sunburn and electron beam radiodermatitis, respectively, were critical determinants in localizing the initial presentation of drug eruptions. In the first instance, a severe sunburn of the back and thighs was followed 7 months later by the appearance of a toxic epidermal necrolysis drug reaction to trimethoprim-sulfamethoxazole in the exact sites of the previous bullous sunburn reaction. In the second patient, a radiodermatitis of the left upper arm due to electron beam therapy for metastatic breast cancer was followed 7 weeks later by a codeine drug reaction confined to the area of the radiodermatitis. In both instances, oral rechallenge with the offending drug reproduced the eruption.
The energy spectra of few-nucleon transfer reactions obtained by bombarding a /sup 197/Au nucleus with the 341 MeV /sup 20/Ne beam of the Berkeley cyclotron have been analysed successfully in terms of direct surface transfer reactions populating the continuum states. At the grazing angle we are dealing with one-step processes; at forward angle two-step processes have to be taken into account.
Bremsstrahlung emitted in the {alpha}+p reaction at 50 MeV/nucleon was studied using a 200 MeV {alpha}-particle beam and a liquid hydrogen target. Double-differential photon cross sections were measured over a wide range of angles and energies. Coherent bremsstrahlung was found to be strong for all photon energies. The cross section is enhanced at the highest photon energies and is characteristic of direct capture to the unbound {sup 5}Li ground and first excited state. With direct capture as a limiting case of coherent bremsstrahlung a consistent reaction picture can be obtained.