The $\\bar{K}N$ system at threshold is a sensitive testing ground for low energy QCD, especially for the explicit chiral symmetry breaking. Therefore, we have measured the $K$-series x rays of kaonic hydrogen atoms at the DA$\\Phi$NE electron-positron collider of Laboratori Nazionali di Frascati, and have determined the most precise values of the strong-interaction energy-level shift and width of the $1s$ atomic state. As x-ray detectors, we used large-area silicon drift detectors having excellent energy and timing resolution, which were developed especially for the SIDDHARTA experiment. The shift and width were determined to be $\\epsilon_{1s} = -283 \\pm 36 \\pm 6 {(syst)}$ eV and $\\Gamma_{1s} = 541 \\pm 89 {(stat)} \\pm 22 {(syst)}$ eV, respectively. The new values will provide vital constraints on the theoretical description of the low-energy $\\bar{K}N$ interaction.
We calculate the masses of the resonances D{sub s0}{sup *}(2317) and D{sub s1}(2460) as well as their bottom partners as bound states of a kaon and a D{sup (*)} - and B{sup (*)} -meson, respectively, in unitarized chiral perturbation theory at next-to-leading order. After fixing the parameters in the D{sub s0}{sup *}(2317) channel, the calculated mass for the D{sub s1}(2460) is found in excellent agreement with experiment. The masses for the analogous states with a bottom quark are predicted to be M{sub B{sup *}{sub s0}}=(5696{+-}40) MeV and M{sub B{sub s1}}=(5742{+-}40) MeV in reasonable agreement with previous analyses. In particular, we predict M{sub B{sub s1}}-M{sub B{sub s0}}{sup *}=46{+-}1 MeV. We also explore the dependence of the states on the pion and kaon masses. We argue that the kaon mass dependence of a kaonic bound state should be almost linear with slope about unity. Such a dependence is specific to the assumed molecular nature of the states. We ...
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 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).
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.
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...
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.
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 ...
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 ...
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 ...
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.
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 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 ...
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 ...
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 ...
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 humidity. This can explain the well-known ...
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.
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.
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 ...
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 ...
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...
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. ...
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 atom chemistry in the troposphere, and hence are ...
(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)
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.
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 ...
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 ...
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.
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/sup 6/ /sup 1/S/sub 0/ state to the 3p/sup 5/4s'(1/2)/sub 1//sup 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/sup 6/ s/sup 2/. .AE
AbstractThe structural integrity of striated muscle is determined by extra-sarcomere cytoskeleton that includes structures that connect the Z-disks and M-bands of a sarcomere to sarcomeres...Full Text Available
We use a novel normal mode analysis of an elastic network model drawn from configurations generated during microsecond all-atom molecular dynamics simulations to analyze the mechanism of auto-inhibition...Full Text Available
We studied the influence of alloying on the structural and electronic properties of the unrelaxed and relaxed Si_1_-_yC_y random alloys by means of ab initio theoretical calculations using two methods: (i) a supercell approach in connection with the plane-wave pseudopotential method; (ii) the full-potential augmented plane-wave plus local orbitals (APW+lo) method. The first method is used to obtain the relaxed atomic structure. The relaxed atomic positions obtained by pseudopotential calculations were used to calculate the band structure via the second method. The local density approximation was used for the exchange and correlation energy density functional. We investigated the lattice parameters and band gap energies. We found that a quite smaller gap appears in the neighborhood of y=0.03125 concentration of C atoms. The band gap shows a large anomalous bowing and is strongly composition dependent. The electron densities ...
A statistical treatment has been applied to interpret the experimental data on the Xe M-shell vacancy production in slow 1.05 MeV Xe-Xe collisions and is shown to give better agreement with experiment than that of the molecular-orbital models.
A set of equations describing a stress-mediated evolution of the nonequilibrium dopant-defect system has been derived and analyzed. Together with coupled diffusion of dopant atoms and point defects, we consider the drift of all mobile species in different charge states, namely vacancies, self-interstitials, and pairs 'dopant atom-point defect', in the field of stress. It has been shown that stresses may affect the diffusion of dopant atoms mainly in two ways: (1) directly, due to the drift of the pairs in the field of stress; (2) indirectly, by the formation of nonuniform defect distribution due to the drift of point defects. On this basis, various features of doping processes, such as phenomena of 'uphill' impurity diffusion near the surface (within the framework of the first or second mechanisms) and the peculiarities of high concentration phosphorus diffusion (due to the second ...
A set of equations describing a stress-mediated evolution of the nonequilibrium dopant-defect system has been derived and analyzed. Together with coupled diffusion of dopant atoms and point defects, we consider the drift of all mobile species in different charge states, namely vacancies, self-interstitials, and pairs 'dopant atom-point defect', in the field of stress. It has been shown that stresses may affect the diffusion of dopant atoms mainly in two ways: (1) directly, due to the drift of the pairs in the field of stress; (2) indirectly, by the formation of nonuniform defect distribution due to the drift of point defects. On this basis, various features of doping processes, such as phenomena of 'uphill' impurity diffusion near the surface (within the framework of the first or second mechanisms) and the peculiarities of high concentration phosphorus diffusion (due to the second mechanism), can be explained. Numerical ...
We present experimental evidence for self-organization of nickel microparticles in silicon under certain thermodynamic conditions of nickel diffusion doping. The concentration and distribution of the microparticles in silicon are very uniform. Additional anneals lead to self-ordering of the impurity microparticles.
BackgroundCurli, cellulose and the cell surface protein BapA are matrix components in Salmonella biofilms. In this study we have investigated the roles of these...Full Text Available
In a recent publication [I. Galanakis, K. Ozdog-tilde an, E. Sasiog-tilde lu, B. Aktas, Phys. Rev. B 74 (2006) 140408(R)] we have shown that in the case of CrAs and related transition-metal chalcogenides and pnictides, crystallizing in the zinc-blende structure, the excess of the transition-metal atoms leads to half-metallic ferrimagnetism. The latter property is crucial for spintronic applications with respect to ferromagnets due to the lower stray fields created by these materials. We extend this study to cover the case where the transition-metal atoms sitting at antisites are not identical to the ones in the perfect sites. In Cr-based compounds, the creation of Mn antisites keeps the half-metallic ferrimagnetic character produced also by the Cr antisites. In the case of VAs, Cr and Mn antisites keep the half-metallic character of VAs (contrary to V antisites) due to the larger exchange splitting exhibited by these atoms.
A path integral evaluation of the Green's function for the hydrogen atom initiated by Duru and Kleinert is studied by recognizing it as a special case of the general treatment of the separable Hamiltonian of Liouville type. The basic dynamical principle involved is identified as Jacobi's principle of least action for given energy which is reparametrization invariant, and thus the appearance of a gauge freedom is naturally understood. The separation of variables in the operator formalism corresponds to a choice of gauge in the path integral, and the Green's function is shown to be gauge independent if the operator ordering is properly taken into account. Unlike the conventional Feynman path integral, which deals with a space-time picture of particle motion, the path integral on the basis of Jacobi's principle sums over orbits in space. We illustrate these properties by evaluating an exact path integral of the Green's function for the hydrogen ...
Recent proposals have shown that a quantum degenerate gas of alkaline earth atoms can be used for a number of novel quantum computing and quantum simulation experiments. Strontium is a good candidate for such experiments because it can be controlled with high precision, as demonstrated in recent atomic clock experiments. Unfortunately, the small scattering length of strontium is not amenable to evaporative cooling techniques that are used to reach quantum degeneracy. Furthermore, increasing the scattering length of alkaline earths with a magnetic Feshbach resonance is not possible due to their spinless electronic ground state configuration. However, recent theoretical and experimental work suggests the possibility of changing scattering lengths in alkaline earths with laser light. Using this optical Feshbach resonance near strontium's narrow ^1S0->^3P1 intercombination transition might allow its scattering length to be controlled without ...
This report includes the issuances received during the specified period from the Commission (CLI), the Atomic Safety and Licensing Boards (LBP), the Administrative Law Judges (AU), the Directors` Decisions (DD), and the Decisions on Petitions for Rulemaking (DPRM).
This report includes the issuances received during the specified period from the Commission (CLI), the Atomic Safety and Licensing Boards (LBP), the Administrative Law Judges (ALJ), the Directors Decisions (DD), and the Decisions on Petitions for Rulemaking (DPRM).
The kinetic parameters of single bonds between neural cell adhesion molecules were determined from atomic force microscope measurements of the forced dissociation of the homophilic protein-protein bonds....Full Text Available
Powders with nominal compositions (in atomic percent) Ti-48Al and Ti-48Al-2Nb-2Cr were prepared by the plasma rotating electrode process (PREP) and gas atomization (GA) techniques. As-solidified and heat-treated (1000degC per 3 h) powder samples were examined by metallography, scanning electron microscopy, X-ray diffraction and transmission electron microscopy. The microstructures of the powders were characterized as a function of atomization technique, alloy content, powder particle size (solidification rate) and thermal history. All of the as-solidified powders were comprised of disordered [alpha], and ordered [alpha][sub 2]-Ti[sub 3]Al and [gamma]-TiAl. For both alloys, a larger volume fraction of [alpha] and [alpha][sub 2] was observed in the PREP powders relative to GA powders of comparable size. Additionally, for both alloys and both atomization techniques, the volume fraction of [alpha][sub 2] ...
A combination of degenerate four-wave mixing spectroscopy and a low-pressure sampling technique has been studied for isotopic analysis in an air-acetylene flame. Hyperfine spectra of D lines of sodium and several mixtures of lithium isotopes obtained in this way are presented.
For very low collision energies electron capture from excited hydrogen by multicharged ions is characterized by enormous cross sections, the predicted maximum being comparable to the geometric size of the Rydberg atom. The ion-atom merged-beams technique is being used to study these collisions for the variety of charge states and the wide range of energies (0.1 to 1000 eV/amu) accessible to the apparatus. A neutral D beam containing a Rydberg atom population proportional to 1/n"3 is produced by collisional electron detachment of 8 keV D"- in N_2 gas. An applied electric field results in the range (n=24--11) depending on the strength of the field applied. This beam is then merged with O"3"+ or O"5"+ ion beams at low relative collision velocities where the resultant beam-beam signal of D"+ due to electron loss is dominated by electron capture. From the sharp decrease in the observed beam-beam signal as the electric field ...
The regional conference was devoted to the legal problems that ensue from German reunification against the background of the integration of German atomic energy law within international law. The elements of national atomic energy legislation required by international law and recent developments in international nuclear liability law were discussed from different perspectives. The particular problems of the application of the German Atomic Energy Act in the 5 new Laender (the territories of the former GDR) were presented and discussed, namely: The continued validity of old licences issued by the GDR; practical legal problems connected with the construction of nuclear power plants in the 5 new Laender; the legal issues connected with the final repository for radioactive wastes at Morsleben; and the new developments in radiation protection law following from the Unification Treaty and the new ICRP recommendations. All 14 ...
Experimental, relative intensities for the components of L X-ray were collected from literature, and atomic-number dependency of L#beta#/L#alpha# has been found. (author).
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.
An unexpectedly high probability of collisions between the fission particles and the atoms in an ionization chamber along the entire particle track causes a strong fluctuation of the shapes of the Bragg curves. This fluctuation imposes an upper limit of the charge resolution ..delta..Z/Z which can be achieved.
To maximize energy efficiency, gas turbine engines used in airplanes and for power generation operate at very high temperatures, even above the melting point of the metal alloys from which they are...Full Text Available
This work is based on the study of cesium ({sup 118,146}Cs) and francium ({sup 207-213}Fr,{sup 220-228}Fr) isotopes by hyperfine atomic spectroscopy and on the interpretation of these results from the nuclear physics point of view. The measured nuclear quantities are: the spin, the magnetic moment, the electric quadrupole moment and the mean square charge radius. The experimental method which is based on hyperfine optical pumping with a tunable laser, followed by magnetic analysis of the atoms is described in the first part. Results related to atomic physics are also presented. In the second part, these data are interpreted in the framework of nuclear models. The deformation of light cesium isomers are compared to values obtained from a theoretical self-consistent calculation. Heavy francium isotopes are situated in an area where the existence of static octupole deformations have been predicted. The odd-even staggering ...
Record production of heavy water was achieved: the plants at Glace Bay and Port Hawkesbury, Nova Scotia, produced a total of 560 megagrams. A shipment of 500 Mg was delivered on time to the Wolsung CANDU reactor in Korea. Energy conservation and waste hea...
The dealumination of mordenite by acidification (HCl, HNO/sub 3/) and by SiCl/sub 4/ and steaming treatments is followed by high-resolution magic-angle-spinning solid-state /sup 29/Si and /sup 27/Al NMR spectroscopy. The combined use of these techniques leads to the determination of the silicon-aluminum ordering. It is demonstrated that aluminum atoms preferentially occupy tetrahedral positions in the four-membered rings of the mordenite structure. In addition, a mechanism of dealumination can be inferred, consisting in removing the aluminum atoms two by two from the four-membered rings. It is also possible to compute the number of SiOH groups left in the unit cell after the progressive removal of aluminum atoms: four groups per extracted Al atom are generated in the beginning of dealumination and this number gradually decreases to two, suggesting that a structural reorganization must necessarily occur ...
Kohn-Sham density functional theory is one of the most widely used electronic structure theories. Uniform discretization of the Kohn-Sham Hamiltonian generally results in a large number of basis functions per atom in order to resolve the rapid oscillations of the Kohn-Sham orbitals around the nuclei. Previous attempts to reduce the number of basis functions per atom include the usage of atomic orbitals and similar objects, but the atomic orbitals generally require fine tuning in order to reach the chemical accuracy. We present a novel discretization scheme that adaptively and systematically builds the rapid oscillations of the Kohn-Sham orbitals around the nuclei as well as environmental effects into the basis functions. The resulting basis functions are localized in the real space, and are discontinuous in the global domain. The continuous Kohn-Sham orbitals and the electron density are evaluated from ...
for sensitive personnel data. Based on the judgment of Task Force ...... Gunn, R ., Memorandum on Sub-Atomic Power Sources for Submarine ... Hunley, J., ed., The Birth of NASA: The Diary of T. Keith Glennan, SP-4105, ...
Fully relativistic full-potential density functional calculations with an all-electron linearized augmented plane wave plus local orbitals method have been performed to investigate the electronic and geometric structures of atomic carbon, nitrogen, and oxygen chemisorption on the (1 0 0) surface of #delta#-Pu. For all chemisorption processes, the center adsorption site is found to be the most preferred site with chemisorption energies of 7.964, 7.665, and 8.335 eV for the C, N, and O adatoms, respectively. The respective optimized distances of the C, N, and O adatoms from the surface were found to be 0.26, 0.35, and 0.48 A. The work functions and the net magnet moments, respectively, increased and decreased in all cases compared with the bare #delta#-Pu (1 0 0) surface. In particular, the work function shift is largest for the least preferred top site and lowest for the most preferred center site. A detailed analysis of partial charges inside the ...
The tool materials durability problem, in particular shock and wear resistance, has allowed to formulate a set of requirements and also to stablish the dependence between physical properties and wear. However, for understanding the nature of the process, for example determining the tribological property of the cutting tool, it is necessary to consider the atom interactions in a crystal. A theoretical study of the physical properties of cutting tool materials (W-Ti-C) with varying concentration of titanium is presented. Total and partial local electronic density for each atom in such hard solutions were calculated. (nevyjel)
Spectroscopy of antihydrogen has the potential to yield high-precision tests of the CPT theorem and shed light on the matter-antimatter imbalance in the Universe. The ALPHA antihydrogen trap at CERN's Antiproton Decelerator aims to prepare a sample of antihydrogen atoms confined in an octupole-based Ioffe trap and to measure the frequency of several atomic transitions. We describe our techniques to directly measure the antiproton temperature and a new technique to cool them to below 10 K. We also show how our unique position-sensitive annihilation detector provides us with a highly sensitive method of identifying antiproton annihilations and effectively rejecting the cosmic-ray background.
The measurement of K(alpha)/K(beta) X-ray intensity ratio indicates the excitation process and the chemical state of the atom examined. Theoretical considerations on the origin of this property are presented. The difference of these ratios following photoionization and electron capture are calculated by a computer code generating transition matrix elements. The theoretical assumptions involved in the codes are tested by comparing the experimental and calculated data concerning 3d transition element atoms. (D.Gy.).
Generally, Hardening and irradiated brominating phenomena are occurred in the reactor vessel under operation conditions by atomic cavities and creation of impurity atoms which are led by high fast neutron flux. To assure the mechanical integrity of pressure vessel until the end of power plant life after monitoring the sample specimens on the vessel inside, a series of tests is performed over the retrieved surveillance capsule to examine the changes according to the plant operation in accordance with regulations. Monitoring surveillance capsules attached to neutron shield wall of outer core are consists of impact sample, tensile sample and temperature monitor
Atoms in very high Rydberg states, 100 approx-lt n approx-lt 1100, are used to investigate electron-molecule interactions at electron energies extending down to a few microelectronvolts. At such energies the cross section for electron capture by CCl_4 is observed to vary inversely with electron velocity, indicative of an s-wave process. Studies with the polar target CH_3Cl suggest that dipole-supported states may be important in inelastic electron-polar molecule scattering at very low electron energies.
We analyse several amorphous Pdsub(1-x)Sisub(x) alloys obtained by simulation. The metalloid atoms environments can be studied in the same way as that described in the first paper of this series. The main part of this paper is devoted to the evolution of the density as a function of the concentration. In order to interpret the values obtained by the simulation, we develop two models: the first one assumes a complete disorder: the second one, which is shown to be better, assumes a tendency to a local ordering: Si atoms are assumed to have only Pd neighbours.
Muonic-atom energy levels and wave functions are calculated. The results are corrected for nearly all important static effects, including finite nuclear size as produced by a user-specified nuclear charge distribution. Fourth-order Runge-Kutta integration of the radial Dirac equations, with the secant method determining the eigenvalues. Corrections are either included as potentials in the Dirac equations or computed as first-order perturbations. The code assumes spherical symmetry, so that effects of nuclear deformation may be treated only as static first-order perturbations. Dynamic muon-electron and muon-nuclear effects are neglected (the latter are calculated by RURP). (Auth.).
The aim of the report is to describe the state and prospects of the experimental and stand base (ESB) for fundamental investigations in the RF Ministry for Atomic Energy. The ESB includes the following scientific directions: high energy physics, nuclear physics, solid state physics (including superconductivity), plasma physics and controlled thermonuclear synthesis, nuclear reactors and reactor materials testing, lasers, energy conversion and others. Main economical, scientific and technical data on the ESB as a whole and on its most large scientific centers are presented
There is strong interest in lithium imaging, particularly because of its significance in battery materials. However, light atoms only scatter electrons weakly and atomic resolution direct imaging of lithium has proven difficult. This paper explores theoretically the conditions under which lithium columns can be expected to be directly visible using annular bright field scanning transmission electron microscopy. A detailed discussion is given of the controllable parameters and the conditions most favourable for lithium imaging.
In general there are actually two different types of A-15 compounds (A_3B) whose superconducting properties depend on whether the B atoms are transition elements (s-d type) or nontransition elements (s-p type). The properties in which the s-d type superconductors show marked differences in behavior from the s-p type include: (1) stoichiometry and range of composition, (2) the strong influence of N(O) on the stability and T/sub c/ of the phase, and (3), the effect of composition and atomic ordering on the T/sub c/ of the phase. These differences are discussed and a conclusion presented.
The results of an investigation on the production of Group IIA atomic and molecular negative ion beams formed in a cesium-sputter negative ion source are presented. The sputtering material was formed by pressing pellets of stoichiometric mixtures of the Group IIA element carbonates and 10% copper powder. Negative ions of several alkaline-earth elements and their oxides have been observed. Beam intensities as high as 180 pA have been observed for Sr{sup -}and 20 nA for SrO{sup -}. (orig.).
The results of an investigation on the production of Group IIA atomic and molecular negative ion beams formed in a cesium-sputter negative ion source are presented. The sputtering material was formed by pressing pellets of stoichiometric mixtures of the Group IIA element carbonates and 10% copper powder. Negative ions of several alkaline-earth elements and their oxides have been observed. Beam intensities as high as 180 pA have been observed for Sr"-and 20 nA for SrO"-. (orig.).
Doses to the salivary glands, thyroid gland, breast, lung, stomach and colon during mass radiological gastric screening, mass radiographic chest screening, upper gastrointestinal series and computed tomography were determined by exposing a female human phantom to simulated radiological X-ray examinations as performed in community hospitals. The doses were measured using thermoluminescent dosemeters, and the results will be used to document organ doses received by participants in the Atomic Bomb Casualty Commission/Radiation Effects Research Foundation Adult Health Study. (Author).
Doses to the salivary glands, thyroid gland, breast, lung, stomach and colon during mass radiological gastric screening, mass radiographic chest screening, upper gastrointestinal series and computed tomography were determined by exposing a female human phantom to simulated radiological X-ray examinations as performed in community hospitals. The doses were measured using thermoluminescent dosemeters, and the results will be used to document organ doses received by participants in the Atomic Bomb Casualty Commission/Radiation Effects Research Foundation Adult Health Study. (Author).
This paper presents fundamental researches based on the electronic structure calculations and X absorption spectroscopy, allowing the knowledge on nuclear fuels at an atomic scale. They bring a better understanding of these material behavior to accurate the macroscopic simulation. The calculation methods, the experimental techniques of validation and the ab initio calculations results are detailed. (A.L.B.)
A study of the thin gold film growth, during the deposition on glass substrate under UHV conditions at low temperatures, is presented. The complementary methods, the atomic force microscopy and grazing incidence x-ray reflectometry, are used for the research. It is shown that due to variation of the time of deposition from 2 to 50 min different kinds of thin Au films nanostructures are obtained: from discontinuous films consisting of isolated islands, via formation of the chains of islands, up to continuous films. (author)
Nano-materials in which a large fraction of atoms resides within a few atomic layers near the surface can be designed to have novel properties by manipulating their surface parameters. We show that the effective elastic constants of nano-porous/cellular materials can be made to exceed those of the parent materials provided the pore surface elastic parameters satisfy certain conditions. These stiff nano-porous materials herald a radical breakthrough in sandwich-type construction.
Nano-materials in which a large fraction of atoms resides within a few atomic layers near the surface can be designed to have novel properties by manipulating their surface parameters. We show that the effective elastic constants of nano-porous/cellular materials can be made to exceed those of the parent materials provided the pore surface elastic parameters satisfy certain conditions. These stiff nano-porous materials herald a radical breakthrough in sandwich-type construction.
Total M X-ray cross sections for 12 elements in atomic range 70#<=#Z#<=#92 were measured at 5.96 keV Mn K X-ray photon energy. The average M shell fluorescence yields (anti #omega#_M) of these elements have also been observed using the presently measured cross section values and the theoretical M shell photoionisation cross section values. (orig.).
We present large field HI-line emission maps obtained with the single-dish Green Bank Telescope centered on the dwarf irregular galaxies Sextans A, NGC 2366, and WLM. We do not detect the extended skirts of emission associated with the galaxies that were reported from Effelsberg observations (Huchtmeier et al. 1981). The ratio of HI at 10^19 atoms cm^-2 to optical extents of these galaxies are instead 2--3, which is normal for this type of galaxy. There is no evidence for a truncation in the HI distribution >/=10^19 atoms cm^-2.
A LiF crystal analyzer has been used to measure phonon creation events when a low energy He beam scatters from a Cu(001) surface at low temperature (16 "0K). As only phonon creation events were observed, the inelastic scattering was subspecular. Atom parallel momentum gain and loss events were observed and both bulk and surface modes contributed to the inelastic scattering. An elastic component of scattering was observed over a wide angular range.
A laser-induced plasma of alkali atoms was studied with a view to efficient recovery of isotope ions, with small charge exchange losses. The electron temperature was measured by the double-probe method for several kinds of excitation schemes, which gave the relationship between temperature and the energy given to ions by laser photons. A charge exchange process between lithium isotopes was also studied in an electromagnetic field. It was shown that optimum electrostatic and magnetic field strength exist which maximise the 'separative power'.
The electron-capture processes of highly stripped ions of Fq+ (q=6,7,8) and Neq+ (q=7,8,9) in collisions with He atom were investigated using the energy-gain spectroscopy technique. A single dominant peak is observed in most of the energy-gain spectra except for the Ne7+ and Ne9+ spectra, in which two peaks are observed corresponding to the one-electron capture process into levels with different principal quantum number n.
Neutral atom beams with energies above 200 keV may be required for various purposes in magnetic fusion devices following TFTR, JET and MFTF-B. These beams can be produced much more efficiently by electron detachment from negative ion beams than by electron capture by positive ions. We have investigated the efficiency with which such neutral atoms can be produced by electron detachment in partially ionized hydrogen plasma neutralizers.
Atomic L- and M-shell ionization cross sections by protons have been calculated in the plane-wave Born approximation for /sub 79/Au and /sub 92/U with incident energy from 0.1 to 3 MeV with use of relativistic and nonrelativistic Hartree-Slater wave functions. These results are compared with those from the screened hydrogenic model to study the effects of relativity and wave functions. The relativistic and wave-function effects are found to operate in opposite directions. For M/sub 1,2,3/-subshell cross sections, severe cancellations occur between these two factors.
The bath of a manganese sulfate (BMS) is a system for absolute standardization of the neutron sources. This work establishes a functional relationship based on semi-empirical methods for the theoretical prediction of physical density values, concentration and rate between the hydrogen and manganese atoms presents in the solution of the BMS
In Nuclear Magnetic Resonance (NMR) imaging, contrast is dependent on the emission of radiofrequency waves by atomic nuclei, balanced by several parameters. The high information content of NMR images is due to the multiplicity of its parameters. However, this advantage introduces a difficulty in the interpretation of the contrast. There are three contrast parameters for each tissue: hydrogen nuclei density; relaxation time T1; relaxation time T2. Contrast may be enhanced towards any of these parameters by increasing the emission of radiowaves by atomic nuclei using particular pulse sequences.
Close coupled expressions for phenomenological cross sections which describe transport properties of atom--diatom mixtures are obtained in the total-J coupling scheme and are related to the bracket integrals of kinetic theory. Coupled states and infinite order sudden expressions for the generalized phenomenological cross sections using initial, final, and average l-labeling are also given. Particular care is taken to use a phase convention for the CS and IOS approximations which is consistent with the Arthurs--Dalgarno formalism and which gives the correct behavior of degeneracy averaged differential cross sections.
Full text: 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. All provisions on nuclear safety regulation and radiation protection are entrusted to the Atomic Energy Act(AEA). The Act is enacted as the main law concerning the safety regulation of nuclear ...
The subjects, principles and purpose of the atomic energy law and the radiation protection law are set out, and criminal offences under atomic energy law are outlined explaining the legal terminology applied. The peaceful uses of nuclear energy and radioactive materials are briefly discussed, primarily looking at the hazards involved and the protective role of criminal law principles that have been developed in connection with the atomic energy law and its application in practice. The draft version of the 16th criminal law amendment act - Act to combat environmental delinquency - is discussed, which aims at adoption of all criminal offences under atomic energy law by the Criminal Code. The book furthermore presents considerations about basic features of delinquency under atomic energy and radiation protection law, revealing elements and facts of offences defined, and particular ...
In order to understand the chemistry of altermetal dopants in antimony oxide, the detailed structural characterization of two ..beta..-Sb/sub 2/O/sub 4/ compounds is reported, Mo-doped ..beta..-Sb/sub 2/O/sub 4/ (1.5 metal%) and V-doped ..beta..-Sb/sub 2/O/sub 4/ (5 metal%). The methods used to characterize these materials are X-ray and neutron diffraction, scanning electron microscopy, Mo K-edge extended X-ray absorption fine structure spectroscopy, and elemental analysis. The atomic position of each of these dopants in Sb/sub 2/O/sub 4/ is radically different as is the overall effect on the host structure. Molybdenum does not substitute for Sb atoms, rather the Mo atoms are found in channels of electron density formed by Sb/sup 3 +/ lone pairs. The two nearest Sb/sup 3 +/ are absent and the oxygen stoichiometry is preserved. The formula is Sb/sub 1.97/Mo/sub 0.015/O/sub 4/. Vanadium incorporates substitutionally for the ...
We report on the ultraviolet laser absorption spectroscopy of atomic Gd at 394-554 nm where two transition lines are place very closely by using a frequency-doubled beam of external-cavity diode laser (ECDL). One is from 999.121 to 26337.071 cm-1 and the other from 0 to 25337.755 cm-1. If two transition lines are placed closely within a continuous fine tuning range, the real-time measurement of the atomic excitation temperature is possible without any significant time consumption because at least two transition lines originating from different low-lying energy levels need to be investigated for the Boltzmann-plot. Since the spectral difference between the two transitions is only about 0.195 cm-1 (5.85 GHz), it is possible to record both the absorption spectra simultaneously as shown in Fig. 1. But the transition probabilities (or oscillator strengths) of these lines have not been measured accurately yet to the best of our knowledge. We report ...
The UW-Penning Trap Mass Spectrometer (PTMs) is ideally suited for high precision measurements of atomic masses throughout the periodic table upon using highly-stripped ions. However, at the present time, this device has been applied extensively to the light elements ("1H, "2H, "3H, "3He, "4He, "1"2C, "1"3C, "1"4N, "1"6O) due to their fundamental importance. Atomic masses follow immediately from a comparison with some multiply-charged carbon ion, after correcting for the lost electrons and their corresponding binding energies. For instance, the most recent C"5"+/C"6"+ comparison yielded a discrepancy of -0.30(33) ppb, limited only by the magnetic field instability for a 40-h run. The initial emphasis on hydrogen has now produced a 1-ppb value for the proton's atomic mass and similar work with deuterium has yielded a 2.5-ppb value for the neutron's atomic mass. However, the most significant result is the ...
Modern high-resolution electron microscopy (HREM) instruments, which are capable of a point-to-point resolution of better than 0.2 nm, have allowed atomic-scale observations of a variety of internal interfaces. The application of the HREM technique to fcc model systems for the purpose of addressing a number of interface issues will be examined in this paper. Atomic structure observations for heterophase interfaces of metal/metal and metal/metal-oxide systems as well as HREM studies of grain boundaries in NiO and Au will be discussed with emphasis on generic structural features and the role of the interface plane. Comparisons between observed interface structures and atomistic computer modeling results have shown agreements for some interfaces, as well as certain differences in others. A number of structural features are common to both metal and oxide grain boundaries, as well as certain heterophase boundaries. Of particular importance in ...
A massively-parallel ab initio computer code, which uses Gaussian bases, pseudopotentials, and the local density approximation, permits the study of transition-metal systems with literally hundreds of atoms. We present total energies and relaxed geometries for Ru, Pd, and Ag clusters with N = 55, 135, and 140 atoms; we also used the DMOL code to study 13-atom Pd and Cu clusters, with and without hydrogen. The N = 55 and 135 clusters were chosen because of simultaneous cubo-octahedral (fcc) and icosahedral (icos) sub-shell closings, and we find icos geometries are preferred. Remarkably large compressions of the central atoms are observed for the icos structures (up to 6% compared with bulk interatomic spacings), while small core compressions ({approx} 1 %) are found for the fcc geometry. In contrast, large surface compressive relaxations are found for the fcc clusters ({approx} 2-3% in average nearest ...
To assure quality of safety critical software, software should be developed in accordance with software development procedures and rigorous software verification and validation should be performed. Software verification is the formal act of reviewing, testing of checking, and documenting whether software components comply with the specified requirements for a particular stage of the development phase[1]. New software verification methodology was developed and was applied to the Shutdown System No. 1 and 2 (SDS1,2) for Wolsung 2,3 and 4 nuclear power plants by Korea Atomic Energy Research Institute(KAERI) and Atomic Energy of Canada Limited(AECL) in order to satisfy new regulation requirements of Atomic Energy Control Boars(AECB). Software verification methodology applied to SDS1 for Wolsung 2,3 and 4 project will be described in this paper. Some errors were found by this methodology during the software development for SDS1 ...
To assure quality of safety critical software, software should be developed in accordance with software development procedures and rigorous software verification and validation should be performed. Software verification is the formal act of reviewing, testing of checking, and documenting whether software components comply with the specified requirements for a particular stage of the development phase[1]. New software verification methodology was developed and was applied to the Shutdown System No. 1 and 2 (SDS1,2) for Wolsung 2,3 and 4 nuclear power plants by Korea Atomic Energy Research Institute(KAERI) and Atomic Energy of Canada Limited(AECL) in order to satisfy new regulation requirements of Atomic Energy Control Boars(AECB). Software verification methodology applied to SDS1 for Wolsung 2,3 and 4 project will be described in this paper. Some errors were found by this methodology during the software development for SDS1 ...
Uranium-aluminum alloys with a significant enrichment of uranium with "2"3"3U or "2"3"5U serve as nuclear fuels in research reactors. The quality assurance of this fuel requires, among other things, precise knowledge that all trace metal constituents that affect neutron economy, fuel integrity, and fuel fabrication process parameters are well within the specification limits. Trace metal characterization of "2"3"5U-Al alloy has been carried out by atomic spectrometry. The trace metal constituents of interest are grouped into common metals (silver, boron, calcium, cadmium, cobalt, chromium, copper, iron, magnesium, manganese, molybdenum, sodium, nickel, lead, silicon, tin, titanium, vanadium, tungsten, and zinc) and lanthanides (cerium, dysprosium, europium, gadolinium, holminium, lutetium, samarium, and terbium). The elements yttrium and zirconium are grouped with the latter in view of the chemical separation procedure used. The alloy samples are dissolved in 6 M ...
The crystal structure of the compound Sm_4Pd_4Si_3 was determined by the single-crystal method (KM-4 automatic diffractometer, Mo K#alpha# radiation). Sm_4Pd_4Si_3 has the monoclinic Nd_4Rh_4Ge_3 type structure: space group C2/c, mC44 (No. 15), a=20.693(6), b=5.584(1), c=7.699(2) A, #beta#=109.48(3) , V=838 A"3, Z=4, #mu#=36.23 mm"-"1, R_F=0.0537, R_W=0.0435 for 1652 unique reflections. The coordination numbers of samarium atoms are 17 and 18. For palladium and silicon atoms icosahedra and trigonal prisms with additional atoms are typical as coordination polyhedra. The structure of Sm_4Pd_4Si_3 is composed of fragments of the YPd_2Si and Y_3Rh_2Si_2 structure in a ratio 1:1. (orig.).
Superconducting MgB{sub 2} samples were prepared by the sintering of a mixture of fine Mg (or Mg alloy) powder produced by gas-atomization and B powder. The single MgB{sub 2} phase with a superconducting onset temperature of 38 K was obtained by sintering at 1073 K for the pure Mg or AZ31 alloy powders. In the case of AZ31, the superconducting MgB{sub 2} was obtained by sintering at a low temperature of 873 K for 50 h although a long sintering time of 100 h is needed to obtain a single MgB{sub 2} phase for Mg powder. This indicates that the AZ31 alloy enhances a formation rate of superconducting MgB{sub 2} at the low temperature through the formation of the partial melting phase. Thus, the gas-atomized fine Mg or AZ31 alloy powders are useful for preparation of a superconducting MgB{sub 2} and in particular AZ31 alloy is effective for the low temperature fabrication of MgB{sub 2}. (orig.)
We introduce an ad-hoc electrodynamics with advanced and retarded Lienard-Wiechert interactions plus the dissipative Lorentz-Dirac self-interaction force. We study the covariant dynamical system of the electromagnetic two-body problem, i.e., the hydrogen atom. We perform the linear stability analysis of circular orbits for oscillations perpendicular to the orbital plane. In particular we study the normal modes of the linearized dynamics that have an arbitrarily large imaginary eigenvalue. These large eigenvalues are fast frequencies that introduce a fast (stiff) timescale into the dynamics. As an application, we study the phenomenon of resonant dissipation, i.e., a motion where both particles recoil together in a drifting circular orbit (a bound state), while the atom dissipates center-of-mass energy only. This balancing of the stiff dynamics is established by the existence of a quartic resonant constant that locks the dynamics to the ...
The possibility of Pt-Cr surface alloys formation on Pt(0 0 1) was investigated and their magnetism was calculated by the full-potential linearized augmented plane wave (FLAPW) method with eight different atomic configurations. The most stable structure was calculated to be the Pt-segregated L1_2 ferromagnetic surface alloy. A_3B types (L1_2 or D0_2_2) were more stable compared to AB types (L1_0). It implies that the A_3B type surface alloys may be formed when depositing a monolayer of Cr on Pt(0 0 1). It was found from the total energy calculations that there exists a strong tendency of the Pt segregation. The segregation further stabilizes the surface alloy significantly. The work function of the most stable surface alloy was calculated to be 6.02 eV and the magnetic moment of the surface Cr was much enhanced to 3.3 #mu# _B. It is a quite interesting finding that the coupling between Cr and Pt atoms on the surface plane is ferromagnetic in ...
A system of equations describing transient enhanced diffusion of beryllium in InGaAs due to kick-out mechanism or due to formation, migration, and dissociation of the pairs ''beryllium atom-group III self-interstitial'' is proposed and analyzed. Simulation of coupled diffusion of beryllium atoms and self-interstitials in InGaAs during rapid thermal annealing was done for the case of dual implantation. For the experiment under consideration the first ion implantation of phosphorus atoms produced the region of extended defects that led to ''uphill'' diffusion of implanted Be in the defect region and in the vicinity of the surface. The suggested reason of ''uphill'' diffusion could be related to the nonuniform distribution of group III self-interstitials that was formed due to the absorption of point defects on the ...
A method 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 consists of 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 powder. The following intensities are typical of those observed from carbonate samples subjected to /approximately/3 KeV cesium ion bombardment: Li/sup -/: greater than or equal to0.5 ..mu..A; Na/sup -/: greater than or equal to0.5 ..mu..A; K/sup -/: greater than or equal to0.5 ..mu..A; Rb/sup -/: greater than or equal to0.5 ..mu..A; Cs/sup -/: greater than or equal to0.2 ..mu..A. 7 refs., 2 figs., 1 tab.
Section 7 of the Atomic Energy Act (AtG), section 4 of the Federal Emission Control Act (BImSchG), the Nuclear Installations Licensing Ordinance (AtVfV), and the Ninth Ordinance on the Implementation of the BImSchG (Principles of the licensing procedure) require participation of the public in the procedure before administrative provisions or decisions are issued. The book presents the legally prescribed steps at which participation of the public is mandatory, for the simple case (only one license on the agenda), and for the multi-stage licensing procedure: preliminary negotiations / filling of applications for a license and filing of documents / public announcement of projects / access to files / objections / preclusion of delayed objections / public hearing and other expert discussions / termination of procedure, decision-making by the authorities / decisions on subdivision of procedure into defined stages / modification of the procedure. The analysis of the ...
Object: To prevent coolant inventory within a cooling system loop in an atomic power plant from being varied depending on loads thereby relieving restriction of varied speed of coolant flow rate to lowering of a liquid surface due to short in coolant. Structure: Instruments such as a superheater, an evaporator, and the like, which constitute a cooling system loop in an atomic power plant, have a plurality of free liquid surface of coolant. Portions whose liquid surface is controlled and portions whose liquid surface is varied are adjusted in cross-sectional area so that the sum total of variation in coolant inventory in an instrument such as a superheater provided with an annulus portion in the center thereof and an inner cylindrical portion and a down-comer in the side thereof comes equal to that of variation in coolant inventory in an instrument such as an evaporator similar to the superheater. which is provided with an overflow pipe in its ...
The results of x-ray diffraction, dc magnetization, and 61Ni Moessbauer spectroscopy studies of the ternary arsenide CrNiAs are reported. This compound crystallizes in the orthorhombic Fe2P-type structure (space group P6-bar2m) with the lattice parameters a 6.1128(2) A and c = 3.6585(1) A. CrNiAs is a mean-field ferromagnet with Curie temperature TC = 171.9(1) K and the critical exponents ? 0.514(18), ? = 1.010(16), and ? = 2.922(10). The temperature dependence of the magnetic susceptibility above TC follows the modified Curie-Weiss law with a paramagnetic Curie temperature of 176.0(3) K and effective magnetic moment per transition metal atom of 2.42(1) ?B. The magnetic moment per formula unit at 4.2 K is found to be 1.114(33) ?B. The hyperfine magnetic field at 61Ni nuclei at 4.2 K of 41.5(1.0) kOe implies that the Ni atoms carry a magnetic moment of 0.15(3) ?B, and that the moment carried by the Cr atoms is 0.95(6) ?B. ...
This project of law concerns an additional protocol to the agreement of warranties signed on September 22, 1998 between France, the European atomic energy community and the IAEA. This agreement concerns the declaration of all information relative to the R and D activities linked with the fuel cycle and involving the cooperation with a foreign country non endowed with nuclear weapons. These information include the trade and processing of nuclear and non-nuclear materials and equipments devoted to nuclear reactors (pressure vessels, fuel loading/unloading systems, control rods, force and zirconium tubes, primary coolant pumps, deuterium and heavy water, nuclear-grade graphite), to fuel reprocessing plants, to isotope separation plants (gaseous diffusion, laser enrichment, plasma separation, electromagnetic enrichment), to heavy water and deuterium production plants, and to uranium conversion plants. (J.S.)
Micron scale silicon nitride (SiNx) microdisk optical resonators fabricated on a silicon wafer are demonstrated with Q = 3.6 x 10^6 (finesse = 5 x 10^4) and an effective mode volume of 15 (\\lambda / n)^3 at wavelengths \\lambda ~ 852 nm resonant with the D2 transition manifold of cesium. A dilute hydrofluoric wet etch is shown to provide sensitive tuning of the microdisk optical resonances, and robust mounting of a fiber taper provides efficient fiber optic coupling to the SiNx microdisk cavities while allowing unfettered optical access for laser cooling and trapping of atoms. Initial measurement of a hybrid atom-cavity chip indicates that cesium adsorption on the surface of the SiNx microdisks results in significant red-detuning of the disk resonances. A technique for parallel integration of multiple (10) microdisks with a single optical fiber taper is also demonstrated.
Least-squares analyses were performed on a set of atomic masses using standard and generalized senaiempirical mass laws. Presumably because of errors in the assured form of the standand mass law, its least-squares coefficients can be determined at best to an accuracy of about 10%, and masses are predicted with an uncertainty of several Mev/c/sup 2/. The standard mass law was generalized by addition of shell effect and deformation terms. While the least-squares fitting of the generalized mass law is better than for the standard mass law, it is still not possible to predict atomic masses to an accuracy better than a few Mev/c/sup 2/. The nuclear deformations and the well depth . of the nuclear interaction obtained from the additional mass-law terms are in reasonable agreement with more accurate determinations by other methods. A similar statement applies to the nuclear radius constant as obtained from the ...
Cu"2"+ ions are alternatively bridged by end-on and asymmetrical end-to-end (EE) azido groups in copper (II)-azido compound [#left brace#Cu(L)(N_3)_2#right brace#_n] (L=benzylamine). The electronic structure of its ferromagnetic ground state has been calculated using the self-consistent full-potential linearized augmented plane wave method based on the density functional theory. The spin populations have been found to be strongly positive on the Cu"2"+ ions, weakly positive on the terminal nitrogen atoms of the azido groups as well as on the nitrogen atoms of the benzylamine, and feeble on the central nitrogen atoms of the azido groups. Based on the spin distribution obtained from calculation, the ferromagnetic coupling through the azido groups has been analyzed as resulting from a spin delocalization from the Cu"2"+ ions toward the azido groups. But the result also indicates that the spin polarization effect may also take ...
The ion-velocity dependence of the ionization probability for an atom ejected from a surface is examined by using a quantum approach in which the coupled motion between electrons and the outgoing nucleus is followed along the whole trajectory by solving the stationary Schroedinger equation. We choose a very-small-cluster-model system in which the motion of the atom is restricted to one dimension, and with energy potential curves corresponding to the involved channels varying appreciably with the atom position. We found an exponential dependence on the inverse of the asymptotic ion velocity for high emission energies, and a smoother behavior with slight oscillations at low energies. These results are compared with those obtained within a dynamical-trajectory approximation using either a constant velocity equal to the asymptotic ionic value, or expressions for the velocity derived from the eikonal approximation and from the ...
The synergistic effects of displacement damage and atomic hydrogen and helium on swelling of the ferritic/martensitic steel, F82H, has been investigated. The irradiation was performed at temperatures between 470 and 600 deg. C to 50 dpa (displacement per atoms) under conditions of simultaneous ion beams consisting of Fe{sup 3+}, He{sup +} and H{sup +} ions or Fe{sup 3+} and He{sup +} ions. The swelling of F82H steel under triple beams with 18 appm He/dpa and 70 appm H/dpa was larger than that under dual beams with 18 appm He/dpa. The swelling in F82H under triple beams increased with decreasing irradiation temperature from 0.1% to 3.2%, while swelling under dual beams was between 0.04% and 0.08%. On the other hand, in the case of triple beam irradiation with a high ratio of gas/dpa, the swelling tended to increase with irradiation temperature. The swelling in ferritic/martensitic steels is significantly enhanced by the synergistic effect of ...
The synergistic effects of displacement damage and atomic hydrogen and helium on swelling of the ferritic/martensitic steel, F82H, has been investigated. The irradiation was performed at temperatures between 470 and 600 deg. C to 50 dpa (displacement per atoms) under conditions of simultaneous ion beams consisting of Fe"3"+, He"+ and H"+ ions or Fe"3"+ and He"+ ions. The swelling of F82H steel under triple beams with 18 appm He/dpa and 70 appm H/dpa was larger than that under dual beams with 18 appm He/dpa. The swelling in F82H under triple beams increased with decreasing irradiation temperature from 0.1% to 3.2%, while swelling under dual beams was between 0.04% and 0.08%. On the other hand, in the case of triple beam irradiation with a high ratio of gas/dpa, the swelling tended to increase with irradiation temperature. The swelling in ferritic/martensitic steels is significantly enhanced by the synergistic effect of displacement damage, ...
In the MnIII complex of the title compound, [MnIII(C18H12N4O2)(H2O)2]ClO4, the MnIII atom is coordinated by four N atoms from the bpb2- [1,2-bis(pyridine-2-carboxamido)benzene] ligand located in the equatorial plane and two O atoms of water molecules at axial positions, yielding a distorted MnN4O2 octahedral coordination geometry. The bpb2- ligand is nearly planar, with a maximum deviation of 0.2311 (3) A from the mean plane. The MnIII complex cation and the perchlorate anion, both of which are located on twofold rotation axes, are connected by O-H...O and C-H...O hydrogen bonds into a three-dimensional supramolecular network structure.
For the purpose of risk estimates from radiation carcinogenesis including leukemogenesis and radiation genetic effects, the biological significant dose is not the tissue kerma in air but the absorbed dose in organ or tissue with respect to carcinogenic and leukemogenic effects or genetic effects. In order to estimate organ or tissue dose from the tissue kerma in air, a ratio of the organ or tissue dose to the tissue kerma in air for survivors in Hiroshima and Nagasaki was calculated with the aid of the Snyder's mathematical phantoms constructed so as to simulate the body shape of survivors aged 5, 10 years old and adult at the time of atomic bomb detonations. The ratios were corrected for the angular distribution of atomic bomb radiations, assuming an anisotropic angular distribution for the survivors exposed to the atomic bombs in open air and the isotropic distribution for the survivors incide a Japanese house or other ...
We study the evolution of the cold gas content of galaxies by splitting the interstellar medium into its atomic and molecular hydrogen components, using the galaxy formation model GALFORM in the LCDM framework. We calculate the molecular-to-atomic hydrogen mass ratio, H2/HI, in each galaxy using two different approaches; the pressure-based empirical relation of Blitz & Rosolowsky and the theoretical model of Krumholz, McKeee & Tumlinson, and apply them to consistently calculate the star formation rates of galaxies. We find that the model based on the Blitz & Rosolowsky law predicts an HI mass function, CO(1-0) luminosity function, correlations between the H2/HI ratio and stellar and cold gas mass, and infrared-CO luminosity relation in good agreement with local and high redshift observations. The HI mass function evolves weakly with redshift, with the number density of high mass galaxies decreasing with increasing redshift. In the ...
The development of modern techniques for the cooling and the manipulation of atoms in recent years, and the possibility to create Bose-Einstein condensates and degenerate Fermi gases and to load them into regular optical lattices or disordered optical potentials, has evoked new interest for the disorder-induced localization of ultra-cold atoms. This work studies the transport properties of matter waves in disordered optical potentials, which are also known as speckle potentials. The effect of correlated disorder on localization is first studied numerically in the framework of the Anderson model. The relevant transport parameters in the configuration average over many different realizations of the speckle potential are then determined analytically, using self-consistent diagrammatic perturbation techniques. This allows to make predictions for a possible experimental observation of coherent transport phenomena for cold atoms ...
In this work we investigate an iron oxide thin film grown with atomic layer deposition for a gas sensor application. The objective is to characterize the structural, chemical, and electrical properties of the film, and to demonstrate its gas-sensitivity. The obtained scanning electron microscopy and atomic force microscopy results indicate that the film has a granular structure and that it has grown mainly on the glass substrate leaving the platinum electrodes uncovered. X-ray diffraction results show that iron oxide is in the #alpha#-Fe_2O_3 (hematite) phase. X-ray photoelectron spectra recorded at elevated temperature imply that the surface iron is mainly in the Fe"3"+ state and that oxygen has two chemical states: one corresponding to the lattice oxygen and the other to adsorbed oxygen species. Electric conductivity has an activation energy of 0.3-0.5 eV and almost Ohmic current-voltage dependency. When exposed to O_2 and CO, a typical ...
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 increased with H/C atomic ...
Ammonia adsorption on the external surface of C_3_0B_1_5N_1_5 heterofullerene was studied using density functional calculations. Three models of the ammonia-attached C_3_0B_1_5N_1_5 together with the perfect model were optimized at the B3LYP/6-31G"* level. The optimization process reveals that dramatic influences occurred for the geometrical structure of C_3_0B_1_5N_1_5 after ammonia adsorption; the B atom relaxes outwardly and consequently the heterofullerene distorts from the spherical form in the adsorption sites. The chemical shielding (CS) tensors and nuclear quadrupole coupling constants of B and N nuclei were calculated at the B3LYP/6-311G"*"* level. Our calculations reveal that the B atom is chemically bonded to NH_3 molecule. The B atom in the NH_3-attached form has the largest chemical shielding isotropic (CSI) value among the other boron nuclei. The C_Q parameters of B nuclei at the interaction sites are ...
This paper reports measurements of absolute differential cross sections for the direct scattering of oxygen atoms by He, Ne, Ar, Kr, Xe, H_2, N_2, O_2, CO, CO_2, H_2O, SO_2, NH_3, CH_4, CF_4, and SF_6 targets. The measured cross sections include contributions from all elastic and inelastic processes that result in a fast neutral oxygen atom product. Cross sections are presented for 0.5- and 1.5-keV projectile energies over the laboratory angular range 0.2 degree endash 5 degree. When compared in the center-of-mass reference frame, these cross sections exhibit a high degree of similarity in both amplitude and angular dependence. The cross sections for N_2, CO, CO_2, and H_2O are inverted using a partial-wave analysis to yield empirical interaction potentials, which can then be used to extrapolate the measurements down to lower energies. Using these potentials, cross sections are evaluated at 0.1 keV. copyright 1996 The American Physical Society.
Advanced developments in computer technologies offer exciting opportunities for new distribution tools and applications in various fields of physics. The convenient and reliable exchange of data is clearly an important component of such applications. Therefore, in 2003, the A+M Data Unit initiated within the collaborative efforts of the DCN (Data Centre Network) a new standard for atomic, molecular and particle surface interaction data exchange (AM'PSI) based on XML (eXtensible Markup Language). A working group composed of staff from the IAEA, NIST, ORNL and Observatoire Paris-Meudon meets biannually to discuss progress made on the XML schema, and to foresee new developments and actions to be taken to promote this standard for AM/PSI data exchange. (author)
Radiation doses to workers at the Manhattan Engineer District (MED) and US Atomic Energy Commission (AEC) sites due to external irradiation during 1940--1960 are reviewed. Categorized radiation dose data were available from AEC annual reports for some years. Annual individual radiation dose data for ten MED/AEC sites for all years were available from the US Department of Energy`s (DOE) Comprehensive Epidemiologic Data Resource (CEDR). These data are combined to produce an estimate of external collective dose equivalent to 172,000 person-rems (1720 person-Sv) for 1940--1960. During this period there were 41 overexposures, 19 criticality incidents, and 3 deaths due to acute radiation syndrome among several hundred thousand workers.
Recent advances in nanoscience have raised interest in the minimum bit size required for classical information storage. This bit size is determined by the necessity for bistability with suppressed quantum tunnelling and energy barriers that exceed ambient temperatures. In the case of magnetic information storage, much attention has centred on molecular magnets with bits consisting of about 100 atoms, magnetic uniaxial anisotropy energy barriers of about 50?K and very slow relaxation at low temperatures. Here, we draw attention to the remarkable magnetic properties of some transition-metal dimers, which have energy barriers approaching 500?K with only two atoms. The spin dynamics of these ultrasmall nanomagnets is strongly affected by a Berry phase, which arises from quasi-degen...
We have studied in detail the transient enhanced diffusion observed during furnace or rapid-thermal-annealing of ion-implanted Si. We show that the effect originates in the trapping of Si atoms by dopant atoms during implantation, which are retained during solid-phase-epitaxial (SPE) growth but released by subsequent annealing to cause a transient dopant precipitation or profile broadening. The interstitials condense to form a band of dislocation loops located at the peak of the dopant profile, which may be distinct from the band formed at the original amorphous/crystalline interface. The band can develop into a network and effectively getter the dopant. We discuss the conditions under which the various effects may or may not be observed, and discuss conflicting observations on As"+ implanted Si.
The authors have studied in detail the transient enhanced diffusion observed during furnace or rapid-thermal-annealing of ion-implanted Si. The authors show that the effect originates in the trapping of Si atoms by dopant atoms during implantation, which are retained during solid-phase epitaxial (SPE) growth but released by subsequent annealing to cause a transient dopant precipitation or profile broadening. The interstitials condense to form a band of dislocation loops located at the peak of the dopant profile, which may be distinct from the band formed at the original amorphous/crystalline interface. The band can develop into a network and effectively getter the dopant. They discuss the conditions under which the various effects may or may not be observed, and discuss preliminary observations on As/sup +/ implanted Si. 12 references, 12 figures.
We have studied in detail the transient enhanced diffusion observed during furnace or rapid-thermal-annealing of ion-implanted Si. We show that the effect originates in the trapping of Si atoms by dopant atoms during implantation, which are retained during solid-phase-epitaxial (SPE) growth but released by subsequent annealing to cause a transient dopant precipitation or profile broadening. The interstitials condense to form a band of dislocation loops located at the peak of the dopant profile, which may be distinct from the band formed at the original amorphous/crystalline interface. The band can develop into a network and effectively getter the dopant. We discuss the conditions under which the various effects may or may not be observed, and discuss conflicting observations on As/sup +/ implanted Si.
The authors have studied in detail the transient enhanced diffusion observed during furnace or rapid-thermal-annealing of ion-implanted Si. The authors show that the effect originates in the trapping of Si atoms by dopant atoms during implantation, which are retained during solid-phase epitaxial (SPE) growth but released by subsequent annealing to cause a transient dopant precipitation or profile broadening. The interstitials condense to form a band of dislocation loops located at the peak of the dopant profile, which may be distinct from the band formed at the original amorphous/crystalline interface. The band can develop into a network and effectively getter the dopant. They discuss the conditions under which the various effects may or may not be observed, and discuss preliminary observations on As"+ implanted Si. 12 references, 12 figures.
Total (elastic+inelastic) cross sections for electron impact on FeO, Fe{sub 2}O{sub 3} and Fe{sub 3}O{sub 4} have been calculated in the energy range 20-5000 eV by employing the additivity rule which expresses the total cross section of a molecule as an incoherent sum over the total cross sections of the constituent atoms of the molecule. The electron-atom cross sections have been obtained by a complex optical potential method through partial-wave analysis. The total cross sections for all the oxides of iron exhibit a maximum around 30 eV. The inelastic cross sections are upper bounds to the corresponding ionisation cross sections. Bethe parameters for inelastic cross sections are given. ((orig.))
Molar excess volumes, VE and molar excess enthalpies, HE of 1,3-dioxolane (D) (i) + propan-1-ol, 1,3-dioxolane (i) + butan-1-ol and 1,3-dioxolane (i) + butan-2-ol (j) binary mixtures have been measured as a function of composition at 308.15 K. The analysis of VE data by graph, theoretical approach reveals that while propan-1-ol, butan-1-ol exist as associated entities in the pure state; 1,3-dioxolane and butanol exist as monomers in their pure state. These (i+j) binary mixtures are characterized by interactions between ethereal oxygen atom of D(i) and hydrogen atom of alkanols. The IR studies lend additional support to the proposed structure of molecular entitles in these mixtures. The energetics of the mixtures have also been studied.
We propose a method for the creation of arbitrary superposition of N atomic states using generalized stimulated Raman adiabatic passage (STIRAP) techniques with laser fields coupling each one of N lower states to a single upper state in a Formula Not Shown -level atomic system. Formula Not Shown dark states that are composed of N lower states span a dark subspace. In the adiabatic limit, the dark and bright subspaces are decoupled, thus the nonadiabatic interaction within this dark subspace dominates the evolution of the system. Different from general methods to create our required coherent superposition state, in a reverse way, here we consider the required state as the starting point of evolution dynamics, and utilize laser fields to drive it into a single lower state step by step. Time ...
The thermal stability of nanoscale grains in cryomilled aluminum powders containing 1% diamantane was investigated. Diamantane is a diamondoid molecule consisting of 14 carbon atoms in a diamond cubic structure that is terminated by hydrogen atoms. The nanostructures of the resulting cryomilled powders were characterized using both transmission electron microscopy (TEM) and X-ray diffraction (XRD) techniques. The average grain size was found to be on the order of 22?nm, a value similar to that obtained for cryomilled Al without diamantane. To determine thermal stability, the powders were heated in an inert gas atmosphere at constant temperatures between 423 and 773?K (0.51T m to 0.83T m) for exposure times of up to 10?h. The average grain size for all powders containing diamantane was obse...
The thermodynamic characteristics of sorption of the isomeric tricyclo[5.2.1.02.6]decane (tetrahydrodicyclopentadiene, TDCPD) molecules were for the first time determined experimentally and by molecular statistical methods under the conditions of gas-adsorption chromatography on graphitized thermal carbon black and gas-liquid chromatography on stationary liquid phases of different polarities (Apiezon L and Carbowax 20M). The effects of the chemical nature of sorbents on the retention of the TDCPD isomers are considered. A procedure for calculating the thermodynamic characteristics of adsorption of molecules with a complex structure is suggested within the framework of the atom-atom approximation of the semiempirical molecular statistical theory of adsorption for the example of isostructura...
We present results from a kinetic Monte Carlo simulation of boron transient enhanced diffusion (TED) in silicon. Our approach avoids the use of phenomenological fits to experimental data by using a complete and self-consistent set of values for defect and dopant energetics derived mostly from {ital ab initio} calculations. The results predict that, during annealing of 40 keV B-implanted Si at 800{degree}C, there exists a time window during which all the implanted boron atoms are substitutional. At earlier or later times, the interactions between free silicon self-interstitials and boron atoms drive the growth of boron clusters and result in an inactive boron fraction. The results show that the majority of boron TED takes place during the growth period of interstitial clusters and not during their dissolution. {copyright} {ital 1998 American Institute of Physics.}
We present results from a kinetic Monte Carlo simulation of boron transient enhanced diffusion (TED) in silicon. Our approach avoids the use of phenomenological fits to experimental data by using a complete and self-consistent set of values for defect and dopant energetics derived mostly from ab initio calculations. The results predict that, during annealing of 40 keV B-implanted Si at 800 degree C, there exists a time window during which all the implanted boron atoms are substitutional. At earlier or later times, the interactions between free silicon self-interstitials and boron atoms drive the growth of boron clusters and result in an inactive boron fraction. The results show that the majority of boron TED takes place during the growth period of interstitial clusters and not during their dissolution. copyright 1998 American Institute of Physics.
Autoionizing and Auger transitions in atomic manganese and samarium have been experimentally investigated by observation of the ejected electrons in the energy region 0 to 40 eV following electron impact excitation with incident beams in the energy range 15-500 eV. Seventy-four spectral features are tabulated for manganese and a number of new assignments have been made based on pseudo-relativistic Hartree-Fock calculations and quantum defect analysis. A similar study of samarium reveals only a number of broad features in the ejected-electron energy range 8-10 eV. Three features have been observed consistently in the ejected-electron spectrum of samarium and assigned by comparison with previous work. (author).
Tarapur Atomic Power Station unit-4 is first 540 MWe pressurized heavy water reactor. Heavy water is used as the coolant and moderator. With reactor operation tritium is formed by absorption of neutron by Deuterium atoms. Experience in the 220 MWe indicates that tritium is main contributor to the internal dose of radiation workers. Study on Tritium build up in Primary Heat Transport (PHT) and Moderator (MOD) system was carried out at the initial stage of the operation of the unit-3 and 4. This paper brings out tritium activity buildup in the PHT and MOD systems and its comparison with 220 MWe reactors. This paper helps in estimation of the internal dose contribution to the radiation workers at TAPS 3 and 4. (author)
Tarapur Atomic Power Station unit-4 is first 540 MWe pressurized heavy water reactor. Heavy water is used as the coolant and moderator. With reactor operation tritium is formed by absorption of neutron by deuterium atoms. Experience in the 220 MWe indicates that tritium is main contributor to the internal dose of radiation workers. Study on tritium build up in Primary Heat Transport (PHT) and Moderator (MOD) system was carried out at the initial stage of the operation of the unit-4. This paper brings out tritium activity buildup in the PHT and MOD systems and its comparison with 220 MWe reactors. This paper helps in estimation of the internal dose contribution to the radiation workers at TAPS 3 and 4. (author)
Elemental analysis of some medicinal plants used in the Indian Ayurvedic system was performed by employing instrumental neutron activation analysis (INAA) and atomic absorption spectroscopy (AAS) techniques. The samples were irradiated with thermal neutrons in a nuclear reactor and the induced activity was counted by gamma ray spectrometry using an efficiency calibrated high resolution high purity germanium (HPGe) detector. Most of the medicinal plants were found to be rich in one or more of the elements under study. The variation in elemental concentration in same medicinal plants samples collected in summer, winter and rainy seasons was studied and the biological effects of these elements on human beings are discussed. (orig.)
Million-atom molecular-dynamics (MD) simulations are performed to study the structure, mechanical properties, and dynamic fracture in nanophase Si{sub 3}N{sub 4}. The authors find that intercluster regions are highly disordered: 50% of Si atoms in intercluster regions are three-fold coordinated. Elastic moduli of nanophase Si{sub 3}N{sub 4} as a function of grain size and porosity are well described by a multiphase model for heterogeneous materials. The study of fracture in the nanophase Si{sub 3}N{sub 4} reveals that the system can sustain an order-of-magnitude larger external load than crystalline Si{sub 3}N{sub 4}. This is due to branching and pinning of the crack front by nanoscale microstructures.
We present structure calculations of neutral and singly ionized Mg clusters of up to 30 atoms, as well as Na clusters of up to 10 atoms. The calculations have been performed using density functional theory (DFT) within the local (spin-)density approximation, ion cores are described by pseudopotentials. We have utilized a new algorithm for solving the Kohn-Sham equations that is formulated entirely in coordinate space and, thus, permits straightforward control of the spatial resolution. Our numerical method is particularly suitable for modern parallel computer architectures; we have thus been able to combine an unrestricted simulated annealing procedure with electronic structure calculations of high spatial resolution, corresponding to a plane-wave cutoff of 954 eV for Mg. We report the geo...
In the first paper of this series devoted to a structural analysis of a binary metallic glass model, we study a Pd/sub 80/Si/sub 20/ sample obtained by numerical relaxation. We discuss the reproducibility of the method and make a comparison with the experimental interference functions. Then we undertake a microscopic structural analysis from several point of view: we first study the number of neighbours of each type for each type of atoms; secondly, we analyse the structure by means of the radical plane method; at last, we show that it is possible to generalize the five fundamental characteristic units introduced by Bernal, so that we can define the environment of any Si atom without any ambiguity. All these methods reveal a certain tendency towards a prismatic environment for the metalloids.
Site occupancies in three C15-structured AB{sub 2}(X) Laves phases have been determined by Atom Location by CHanneling Enhanced MIcroanalysis (ALCHEMI). In NbCr{sub 2}(V), the results were consistent with exclusive site occupancies of Nb for the A sublattice and Cr and V for the B sublattice. The B-site occupancy of V is not expected from atom size effects alone. In NbCr{sub 2}(Ti), the results were consistent with Ti partitioning mostly to the A sites with some anti-site defects likely. In HfV{sub 2}(Nb), the results were consistent with Nb partitioning between the A and B sites. The results of the ALCHEMI analyses of these ternary C15 Laves phase materials will be discussed with respect to previously determined phase diagrams and first-principles total energy and electronic structure calculations.
We have studied, by a Monte Carlo simulation code ACAT-DIFFUSE, the fluence-dependence of the amount of retained helium atoms in tungsten carbide at room temperature under helium ion bombardment. The retention behavior may be understood qualitatively in terms of irradiation-dependent diffusion coefficient assumed and range. The emission processes from tungsten carbide under helium ion irradiation derived were compared with each other. We have discussed the retention curves for incident energy of 5 keV at incident angles of 0deg and 80deg and of 500 eV at 0deg. The energy spectra of helium atoms reflected from tungsten carbide for incident energy of 500 eV at 0deg and 80deg were compared with those from graphite and tungsten. (author)
The growth and properties of Si{sub 1{minus}y}C{sub y} and Si{sub 1{minus}x{minus}y}Ge{sub x}C{sub y} alloys pseudomorphically strained on Si(001) will be reviewed. Although the bulk solubility of carbon in silicon is small, epitaxial layers with more than 1 at.% C can be fabricated. The relation between substitutional and interstitial carbon incorporation will be presented. Substitutionally incorporated C atoms allow strain manipulation, including the growth of strain-free or inversely strained Si{sub 1{minus}x{minus}y}Ge{sub x}C{sub y} layers. The mechanical properties, microscopic structure, thermal stability, as well as the influence of C atoms on band structure will be discussed.
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.
This study emphasizes the need for a systematic and in-depth connection between the progress in quantum theory of energetic ion collisions and applications to hadron therapy. Scattering theory for fast ion beams has reached its stage of development where accurate and robustly applicable methodologies can advantageously be exported to applied fields such as space research, fusion energy program, medicine, etc. In particular, distorted wave collision theories at high energies readily provide total, partial and fully differential cross sections for inelastic collisions of ionic projectiles with any target system. By numerous and thorough testings, such theoretical cross sections were found to exhibit excellent agreement with experimental data on atomic targets. Adequate extensions of these me...
EXAFS measurements are useful in determining the local atomic environment of a particular element in a solid. Since there has been some controversy about the nature of the defects produced in A-15 materials by radiation damage, such studies were carried out on some A-15 compounds, V_3Ga which was damaged by neutrons, as well as Nb_3Ge damaged by 2.5 MeV a particles. In the V_3Ga sample, site exchange disorder seems to be the most important result of the neutron damage with less than 20% of the vanadium atoms on wrong sites. However, in the Nb_3Ge samples in addition to site exchange disorder, an unusual splitting of the first near-neighbor distance between the Ge and Nb is found. This splitting, approximately 0.2 A, may explain the large Debye Waller factors observed by Burbank et al.
The desire to study negative ion structure and negative ion-photon interactions has spurred the development of ion sources for use in research and industry. The many different types of negative ion sources available today differ in their characteristics and abilities to produce anions of various species. Thus the importance of choosing the correct type of negative ion source for a particular research or industrial application is clear. In this study, the results of an investigation on the production of beams composed of negatively-charged rare-earth ions from a cylindrical-cathode-geometry, cesium-sputter-type negative ion source are presented. Beams of atomic anions have been observed for most of the first-row rare-earth elements, with typical currents ranging from hundreds of picoamps to several nanoamps.
Applications of molten salts technology to separation and synthesis of materials have been studied eagerly, which would develop new fields of materials science. Research Group for Actinides Science, Department of Materials Science, Japan Atomic Energy Research Institute (JAERI), together with Reprocessing and Recycle Technology Division, Atomic Energy Society of Japan, organized the Workshop on Molten Salts Technology and Computer Simulation at Tokai Research Establishment, JAERI on July 18, 2001. In the workshop eleven lectures were made and lively discussions were there on the fundamentals and applications of the molten salts technology that covered the structure and basic properties of molten salts, the pyrochemical reprocessing technology and the relevant computer simulation. The 10 of the presented papers are indexed individually. (J.P.N.)
Modern radiometric analytics demands a complex consideration of nuclear and electron shell processes, if more pretentious aims are envisaged. As an example the small variation of decay rates of radionuclides presents possibilities for information on chemical situations of decaying atoms. In principle this phenomenon is well known since many years, but now the situation is such that, e.g. in /sup 99m/Tc internal conversion, a full agreement of the difficult experiments and the respective theory was established. The secondary emission of X-rays as a consequence of high excitation of electron shells in combination with nuclear transitions supplies another example for a methodical progress of radiometry. Investigations on "5"1Cr as an electron capture nuclide have shown that chemically induced variations of the K/sub #alpha#/ to K/sub #beta#/ X-ray intensity ratio is at least qualitatively understood. (author).
We have observed EUV spectra from the Large Helical Device (LHD) at the National Institute for Fusion Science (NIFS). We measured spectra of impurity ions; carbon, iron, xenon, tin and tungsten ions. In some cases, the plasma evolution was stable and a steady discharge was obtained, but sometimes the plasma underwent radiation collapse and rapid cooling. For carbon and iron spectra, we studied plasma diagnostics by intensity ratios of spectral lines. For other spectra of higher Z element, xenon, tin and tungsten, we studied mainly on line identifications comparing with theoretical calculations and experimental data. Related atomic data for these researches will be also discussed. (author)
Elastic scattering cross sections of keV protons in solids (Z=3-82) are calculated using the partial wave expansion technique and the ''muffin-tin'' bound-atom potential. The differential cross sections for small scattering angles of less than 10deg are smaller than those with the Ziegler-Biersack-Littmark potential at all energies and for all solids, although, for larger angles, the two cross sections agree with each other. The mean free paths of the protons in the solids, obtained from the total cross sections, decrease very slowly with decreasing energy. Furthermore, at low energies they approach half the nearest-neighbor distance, which is taken as the radius of the augmented plane wave sphere in the muffin-tin model of crystalline solids. (orig.).
When evaluating the risks of oncogenesis and cancer mortality following exposure to the radiations of the atomic bombs (A-bombs), the medical X-ray doses received by the A-bomb survivors must also be estimated and considered. Using a human phantom, dosimetry was performed to estimate the X-ray doses received by A-bomb survivors during medical examinations at the Radiation Effects Foundation (RERF) as part of the long-term follow-up on the Adult Health Study (AHS). These examinations have been estimated to represent nearly 45% of the survivors' cumulative medical irradiation dose. Doses to the salivary glands, thyroid gland, lung, breast, stomach and colon were measured using thermoluminescent dosemeters. The results, which are reported here, will aid in estimating organ doses received by individual AHS participants. (Author).
When evaluating the risks of oncogenesis and cancer mortality following exposure to the radiations of the atomic bombs (A-bombs), the medical X-ray doses received by the A-bomb survivors must also be estimated and considered. Using a human phantom, dosimetry was performed to estimate the X-ray doses received by A-bomb survivors during medical examinations at the Radiation Effects Foundation (RERF) as part of the long-term follow-up on the Adult Health Study (AHS). These examinations have been estimated to represent nearly 45% of the survivors' cumulative medical irradiation dose. Doses to the salivary glands, thyroid gland, lung, breast, stomach and colon were measured using thermoluminescent dosemeters. The results, which are reported here, will aid in estimating organ doses received by individual AHS participants. (Author).
This paper summarizes the long and meaningful relationship between the University of Lowell (UL) and Yankee Atomic Electric Company (YAEC) in the area of nuclear thermal hydraulics. The UL has actively interacted with YAEC for many years. Many UL graduates from the nuclear program as well as health physics and other disciplines are employed by YAEC. Furthermore, many students have worked for YAEC on a part-time basis through summer employment or the coop program. Several graduate students have completed their thesis work under the joint direction of UL and YAEC personnel, and some faculty members have had consulting and research contracts with the company. At the same time, YAEC employees have taken advantage of the graduate program offered by UL and have earned advanced degrees. Some YAEC personnel have taught courses at UL and have served on the industrial advisory committees.
Recent multi-configuration Hartree-Fock (MCHF) calculations of atomic hyperfine structures are reviewed. In particular, spin-polarization and relativistic effects are considered. Using a systematic active space MCHF approach, combined with large multi-reference configuration interaction (MR-CI) calculations, it is shown that hyperfine structures in many cases can be calculated very accurately. For few-electron systems, like lithium and beryllium, the remaining discrepancies between theory and experiments largely come from neglected relativistic effects, showing the necessity of fully relativistic calculations even for these systems. The physical effects of relativity on the hyperfine structure are discussed and fully relativistic multi-configuration Dirac-Fock (MCDF) calculations using the systematic active space approach are performed for lithium-like fluorine. (orig.).
In the formation of A-15 superconducting compounds by solid state diffusion, the time exponent in the growth law under different experimental conditions varies widely from about 0.25 to 1.0. Specific models of growth for different operative rate-controlling conditions are proposed. When the diffusion of B atoms in the matrix is rate-controlling, the thickness of the reacted compound layer increases as tsup(1/2) or tsup(2/3). When the diffusion of B atoms through the compound layer is rate controlling, a tsup(1/2) dependence both for bulk diffusion and grain-boundary diffusion is predicted. When substantial grain growth occurs in the reacted layer during the diffusion anneal, the time exponent observed could be as low as 1/4. Experimental data in support of the predictions of the proposed models are presented. (author).
The market potential for the fan atomized burner (FAB) in water and space heating applications was examined. The major findings of the study are as follows. (1). The FAB`s low-input capability allows development of oil-fired room heaters and wall furnaces, a new market area for oil heat. (2). Among conventional oil-fired products, furnaces will benefit most from the burner`s low input capability due to (1) their quick delivery of heat and (2) their more prevalent use in warmer climates and smaller homes. (3). The greatest potential for increased product sales or oil sales exists in the use of the burner with new products (i.e., room heaters). Sales of boilers and direct-fired water heaters are not likely to increase with the use of the burner. (4). Acceptance of the burner will be dependent on proof of reliability. Proof of better reliability than conventional burners would accelerate acceptance.
We have measured K-edge X-ray absorption spectra of argon in sputtered aluminum films at a synchrotron radiation facility (the Photon Factory). We found that the energy and shape of white line change when the film is annealed at 500 C and the spectrum becomes resembling that of argon implanted in silicon. From the analyses of the X-ray absorption spectra and TEM observation we concluded that argon exists as very small atom clusters with a diameter less than 1 nm or exist as isolated atoms in the as-sputtered aluminum film, and that the size of the clusters become as big as 10 nm diameter when the film is heated. (Copyright (c) 1999 Elsevier Science B.V., Amsterdam. All rights reserved.)
We report first-principles frozen-phonon calculations for the determination of the force-free geometry and the dynamical matrix of the five Raman-active A_1_g modes in YBa_2Cu_3O_7. To establish the shape of the phonon potentials atomic forces are calculated within the linearized-augmented-plane-wave method. Two different schemes emdash the local-density approximation (LDA) and a generalized gradient approximation (GGA)emdash are employed for the treatment of electronic exchange and correlation effects. We find that in the case of LDA the resulting phonon frequencies show a deviation from experimental values of approximately -10%. Invoking GGA the frequency values are significantly improved and also the eigenvectors are in very good agreement with experimental findings. copyright 1997 The American Physical Society.
General expressions for the interlattice displacements of the A-15 structure compounds are obtained in terms of the strain components making use of the deformation theory. The nature of the interlattice displacements of all the 8 atoms in the unit cell is discussed. It is found that the interlattice displacements occur in such a way that the pair of atoms along any linear chain move in opposite directions with equal magnitudes. Expression for the strain energy of these compounds is developed using deformation theory and this is compared with the strain energy expression from continuum theory to obtain the elastic constants. The theoretical values of the elastic constants fairly agree with the experimental values for V_3Si, V_3Ge and Nb_3Sn. (author).
General expressions for the interlattice displacements of the A-15 structure compounds are obtained in terms of the strain components making use of the deformation theory. The nature of the interlattice displacements of all the 8 atoms in the unit cell is discussed. It is found that the interlattice displacements occur in such a way that the pair of atoms along any linear chain move in opposite directions with equal magnitudes. Expression for the strain energy of these compounds is developed using deformation theory and this is compared with the strain energy expression from continuum theory to obtain the elastic constants. The theoretical values of the elastic constants fairly agree with the experimental values for V3Si, V3Ge and Nb3Sn.
It has recently been shown that the superconducting properties of Nb-base A-15 compounds, A_3B, are severely degraded when exposed to high-energy (E>1 MeV) neutron irradiation at ambient reactor temperatures. In each case, superconducting transition temperatures, Tsub(c), and the Bragg Williams order parameters, S, were observed to decrease steadily with irradiations in excess of 10"1"8 nvt. During irradiation the A-15 structure is retained and subsequent isothermal annealing restores almost completely the compound's original Tsub(c) value. In this letter a correlation between B atom diameter and the recovery rates of Tsub(c) for the irradiated materials Nb_3Ge, Nb_3Ga, Nb_3Al and Nb_3Sn is reported. (Auth.).
Electrostatic fields of the order of 1 V/Angst, as they occur at field emission tips, are comparable to those experienced by valence electrons in atoms and molecules. Such fields are strong enough to induce a significant redistribution of the valence charge in chemical bonds. In this work we investigate the effects on the electronic properties of a single adatom on a metal surface induced by the presence of an electrostatic field. In particular we present the results of a full ab initio DFT calculation, within the embedding method, of the CCV Auger spectra of Si and Mg atoms in and on a jellium-Ag host. Differently from impurities in bulk, Auger spectral profiles of adsorbates on metal surfaces can show notable modifications due to the applied electric field.
The development and occurrence of new electron accelerators and applications are according to the human society development law, as a whole. The period of economic standstill is generating an intense creative activity in the domain of science and engineering which also resulting in great achievements in the field of electron accelerators. This paper presents the basic principle of the electron beam applications and the accelerators required characteristics for their present and potential applications in the domains: radiation sources, diagnostics, radiation processing, energetics, environment, defense and basic sciences. All these are correlated to the new generation of accelerators which, for the acceleration process, may employ electromagnetic fields generated by standard sources, atomic lasers, free electron lasers, Cerenkov effect, Smith - Purcell effect, electron beams, plasma, excited atoms into a crystal or other sources. Some more ...
A technique is developed for calculation of the total weight of the quark clusters-fluctons in atomic nuclei. The microscopical proof of Blochintsev formula is carried out and its refinement is obtained (spin-charge and quark factors enter the formula). It is shown that high values of the correlation radius (R_c #approx =# 0.75 fm or 1.0 fm in various papers) obtained from the experimental data making use of the above formula correspond to internucleon distances in flucton of 0.3-0.4 fm, which is by a factor of #approx# 2.5 lower. This means that the flucton hardness is due to free manifestation of hidden color at those distances (the appropriate probabilities are presented).
Recent research carried out in laboratories showed that Saddle field neutral fast atom beam source is a promising method for nitriding of stainless steel. In the present work, the effect of treatment time on the microstructural and mechanical properties of plasma-nitrided stainless steel sample was investigated by this new method. Plasma nitriding was carried out at 420 deg. C and at a pressure of 0.1 Pa for a time range of 1 to 12 h. SEM-EDX, microhardness tests, optical microscopy and X-ray diffraction (XRD) were used to evaluate the mechanical and structural properties of the nitrided layer. It was found that nitriding time has a pronounced effect on the structural and mechanical properties of low-temperature plasma-nitrided samples and produced a precipitation-free thin hard nitrided layer within a short processing time.
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, including CFCl_3.
The intensity of superstructure reflections and associated diffuse scattering from In_0_._5Ga_0_._5P and In_0_._5Al_0_._5P epitaxic layers grown on (001) GaAs substrates was mapped in reciprocal space. The Warren-Cowley short-range-order parameters were obtained through the usual process for evaluating Fourier coefficients. Varying values for the correlation length in different directions indicate how group III atoms stack up in ordered states. The resultant structure with long-range order confirms the hypothesis made on the basis of electron diffraction and high-resolution transmission electron microscopy studies. (orig.).
A method is described for determination of aluminium, cadmium, cobalt, chromium, copper, calcium, magnesium, sodium, potassium, manganese, nickel, lead, strontium, zinc, titanium and vanadium in iron ore. After dissolution, a 1 gram sample of iron ore is applied to a column of AGI-X8 anion exchange resin (chloride form), in 100 ml of 7M HCl. Aluminium, chromium, calcium, magnesium, sodium, potassium, manganese, nickel, lead, strontium, titanium and vanadium are eluted with 7M HCl; iron, copper and cobalt are eluted with 0.5M HCl; cadmium and zinc are eluted with 2M HNO_3. Iron is subsequently removed from copper and cobalt by a solvent extraction with methyl isobutyl ketone. The elements are determined in the eluates by atomic absorption spectrometry, except for titanium and vanadium, which are determined spectrophotometrically.
Medicinal plants are available in the markets in Belo Horizonte, Minas Gerais. The objective of this work is to investigate the Ca, Cr, Cu, Fe, K, Mg, Na e Zn concentrations in two lots of usually known diuretics plants (azeitona do mato, cabelo de milho, cavalinha, cervejinha do campo, chapeu de couro, congonha de bugre, marmelinho do campo and quebra pedra) bought with an interval of time - six months - between the purchases. The elemental concentrations were determined applying k{sub 0} instrumental neutron activation analysis and atomic absorption spectrophotometry analysis. (author)
Experiments of plasma nitriding of titanium are carried out by two plasma sources. One is a microwave discharge plasma source under several Torr, and the other is a nitrogen arc jet generated under atmospheric pressure followed by rapid expansion into a gas wind tunnel. The relationship between the surface density of nitrogen atoms in the #alpha#-Ti and various plasma parameters is systematically studied. For the microwave nitrogen plasma, it is found that the effect of the vibration temperature is the most essential for the surface nitriding, whereas the effect of electron temperature, density and rotation temperature is less remarkable. It is also found that the higher vibration temperature of the microwave discharge nitrogen plasma makes the target temperature higher, and consequently, the surface density of atomic nitrogen remarkably increased. However, the effect of target temperature is less remarkable for the arc jet nitrogen plasma.
Abstract Hydrogen bonding interactions between amino acids and nucleic acid bases constitute the most important interactions responsible for the specificity of protein binding. In this study, complexes formed by hydrogen bonding interactions between cysteine and thymine have been studied by density functional theory. The relevant geometries, energies, and IR characteristics of hydrogen bonds (H-bonds) have been systematically investigated. The quantum theory of atoms in molecule and natural bond orbital analysis have also been applied to understand the nature of the hydrogen bonding interactions in complexes. More than 10 kinds of H-bonds including intra- and intermolecular H-bonds have been found in complexes. Most of intermolecular H-bonds involve O (or N) atom as H-acceptor, whereas the...
We have studied the vibrational properties of the filled tetrahedral semiconductor LiMgAs and its binary analog AlAs by using the plane-wave pseudopotential method within density functional theory. The calculated lattice constants for the studied compounds are in good agreement with previous theoretical and experimental results. The phonon dispersion curves and phonon density of states are calculated by using density functional perturbation theory. The sound speeds in different directions are quantitatively similar in LiMgAs and AlAs. The assignment of the zone center modes to the relative motion of the atoms shows that the lower optic modes are due to the Mg-As pair vibrations, while for the upper ones the Li-Mg pair dominates, which is attributed to the smaller Mg atom mass. The longitudinal interatomic force constant of Mg-As is about 66% higher than that of Li-As, showing the relatively high covalency of the former bond.
We have performed ab initio calculations on a wide range of small molecules, demonstrating the accuracy and flexibility of an alternative method for calculating the electronic structure of molecules, solids, and surfaces. It is based on the local-density approximation (LDA) for exchange and correlation and the nonlinear augmented-plane-wave method. Very accurate atomic forces are obtained directly. This allows for implementation of Car-Parrinello-like techniques to determine simultaneously the self-consistent electron wave functions and the equilibrium atomic positions within an iterative scheme. We find excellent agreement with the best existing LDA-based calculations and remarkable agreement with experiment for the equilibrium geometries, vibrational frequencies, and dipole moments of a wide variety of molecules, including strongly bound homopolar and polar molecules, hydrogen-bound and electron-deficient molecules, and weakly bound alkali ...
Much theoretical and experimental efforts have been expended in recent years to study those atomic processes which are specially relevant to understanding high temperature laboratory plasmas. For magnetically confined fusion plasmas, the temperature range of interest spans from the hundreds of eV at plasma edges to 10 keV at the center of the plasma, where most of the impurity ions are nearly fully ionized. These highly stripped ions interact strongly with electrons in the plasma, leading to further excitation and ionization of the ions, as well as electron capture. Radiations are emitted during these processes, which easily escape to plasma container walls, thus cooling the plasma. One of the dominant modes of radiation emission has been identified with dielectronic recombination. This paper reviews this work.
CMSX-4 superalloy laser beam welds were investigated by transmission electron microscopy and atom probe field-ion microscopy (APFIM). The weld microstructure consisted of fine (10- to 50-nm) irregularly shaped {gamma}` precipitates (0.65 to 0.75 volume fraction) within the {gamma} matrix. APFIM compositions of the {gamma} and {gamma}` phases were found to be different from those in the base metal. Concentration profiles across the {gamma} and {gamma}` phases showed extensive variations of Cr, Co and Al concentrations as a function of distance within the {gamma} phase. Calculated lattice misfits near the {gamma}/{gamma}` interface in the welds are positive values compared to the negative values for base metal. (orig.).
Tarapur Atomic Power Station, Unit 3 and 4 is located on the West Coast of the Arabian Sea near the existing Tarapur Atomic Power Station Unit 1 and 2. The nearest railway station is Boisar at a distance of 12 km from the site, which is on the main Western Railway Mumbai-Delhi route. The site is well connected by road and is about 30 Km from Mumbai-Ahmedabad National Highway-NH-8. The paper describes the land acquisition and rehabilitisation of the affected families, importance of project in the western grid, how it works, working principles of PHWR, principle of operation, major components/equipment, important systems, safety features, and waste management
In this work, a water-soluble polymer, polyethylenimine (PEI) was used for the simultaneous separation and preconcentration of trace Cu and Mn prior to their determination by flame atomic absorption spectrometry. For this purpose, the sample and the PEI solution were mixed and the metal-bound polymer was precipitated by adding acetone. The precipitate was separated and dissolved in a minimum amounts of water and aspirated into a flame AAS. By increasing the ratio of the volumes of sample to water used in dissolving the precipitate, the analyte elements were concentrated as needed. The sorption is quantitative in the pH ?6. Detection limits were 5.2 ?g/L for Cu and 5.4 ?g/L for Mn. This method is simple, fast and precise.
Arsenic and hydrogen ions produced from a mixture of arsine and hydrogen gas were implanted with a dose of 3 x 10{sup 15} As{sup +} ions/cm{sup 2} into silicon using an ion-shower implanter. The dominant ionic species implanted into the silicon were As{sub 2}H{sup +}, AsH{sup +}, H{sub 5}{sup +}, and H{sub 3}{sup +} ions. Arsenic atoms diffused into the silicon with large diffusion coefficients during annealing at 700 and 800 C. However, when the implanted silicon was annealed at 900 C, the arsenic atoms diffused into a deeper region in the silicon with a very small diffusion coefficient that was independent of concentration. (Abstract Copyright [2003], Wiley Periodicals, Inc.)
Novel and unprecedented ion exchange resin cleaning system, for use in BWR plants and featuring a vibration separator and basic design factors of Radiological Solutions, Inc., had been delivered to Tokai No. 2 Power Station, Japan Atomic Power Company, in October 2005. This compactly-designed system effectively separates crud and resin fines from ion exchange resins, with no clogging of separation screens. It generates minimized waste liquid and has a specially designed over-pack cleaning tank. The system has been in operation for about 2 years and half now and favorable operational data, such as crud and sulfate concentration decrease in feed water and reactor water respectively, and evaluation results have been reported from Japan Atomic Power Company and so on. (author)
This paper reports measurements of absolute differential cross sections for electron capture and loss for fast hydrogen atoms incident on H_2, N_2, O_2, Ar, and He. Cross sections have been determined in the 2.0- to 5.0-keV energy range over the laboratory angular range 0.02 degree--2 degree, with an angular resolution of 0.02 degree. The high angular resolution allows us to observe structure at small angles in some of the cross sections. Comparison of the present results with those of other authors generally shows very good agreement.
Motional heating of ions in micro-fabricated traps is a challenge hindering experimental realization of large-scale quantum processing devices. Recently a series of measurements of the heating rates in surface-electrode ion traps characterized their frequency, distance, and temperature dependencies, but our understanding of the microscopic origin of this noise is still vague. In this work we develop a theoretical model for the electric field noise which is associated with a random distribution of adsorbed atoms on the trap electrode surface. By using first principle calculations of the fluctuating dipole moments of the adsorbed atoms we evaluate the distance, frequency and temperature dependence of the resulting electric field fluctuation spectrum.Our theory calculates the noise spectrum beyond the standard scenario of two-level fluctuators, by incorporating all the relevant vibrational states. The $1/f$ noise is shown to commence at roughly ...
The zinc-blende (ZB) and wurtzite (W) structures are the most common crystal forms of binary octet semiconductors. In this work we have developed a simple scaling that systematizes the {ital T}=0 energy difference {Delta}{ital E}{sub W{minus}ZB} between W and ZB for all simple binary semiconductors. We have first calculated the energy difference {Delta}{ital E}{sub W{minus}ZB}{sup LDF}({ital AB}) for AlN, GaN, InN, AlP, AlAs, GaP, GaAs, ZnS, ZnSe, ZnTe, CdS, C, and Si using a numerically precise implementation of the first-principles local-density formalism (LDF), including structural relaxations. We then find a {ital linear} scaling between {Delta}{ital E}{sub W{minus}ZB}{sup LDF}({ital AB}) and an atomistic orbital-radii coordinate {ital {tilde R}}({ital A},{ital B}) that depends only on the properties of the free atoms {ital A} and {ital B} making up the binary compound {ital AB}. Unlike classical structural coordinates (electronegativity, ...
The radionuclide X-ray fluorescence and particle induced X-ray emission methods were used for rapid and nondestructive analysis of metallic glasses. The methods were compared for accuracy and precision with the atomic absorption method. Some results of the analyses of Fe_xNi_8_0_-_xB_2_0 materials are briefly reviewed. The distribution of elements along the width as well as the length and a qualitative analysis of the composition of material surfaces are considered. (author).
Radionuclide X-ray fluorescence and particle induced X-ray emission methods were used for a rapid and nondestructive analysis of metallic glasses. The methods are compared in accuracy and precision with the atomic absorption method. Some results of analyses of Fe_xNi_8_0_-_xB_2_0 materials are briefly reviewed. The distribution of elements along the width and length, and a qualitative analysis of the composition of material surfaces are considered. (author) 3 refs.
This paper describes various eddy current probes, and their performance, which were developed at the Chalk River Laboratories of Atomic Energy of Canada. Included are probes for detecting defects at tubesheet regions in heat exchanger tubes, defects at expansion-transition regions in finned tubes, and defects in ferromagnetic tubes. All of these probes can be used with conventional commercially available instruments. (author).
A hydrous oxide film for the application as dielectric film is synthesized by immersion of pure aluminum in hot water. From a Rutherford backscattering analysis, the ratio of aluminum to oxygen atoms was found to be 3:2 in the anodized aluminum oxide film, and 2:1 in the hydrous oxide layer. Anodization of the hydrous oxide layer was more effective for the transition of amorphous anodic oxides to the crystalline aluminum oxides.
This is the sixth book on reactor materials published under sponsorship of the Naval Reactors Office of the United States Department of Energy, formerly the United States Atomic Energy Commission. This book presents a comprehensive compilation of the most significant properties of thorium dioxide, much like the book Uranium Dioxide: Properties and Nuclear Applications presented information on the fuel material used in the Shippingport Pressurized Water Reactor core.
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 halogen atom 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 that for all the ...
The progress report for the Theoretical Physics Division of the United Kingdom Atomic Energy Authority, Harwell, 1985/6 is presented. The Division's research programme is divided into four sections - i) nuclear power (fuels, inspection and safety aspects), ii) radioactive waste management, iii) underlying research, and iv) non-nuclear contract research. The report contains a description of the research work carried out on these four topics in the above period. (U.K.).
The ternary zirconium palladium silicide ZrPd{sub 3}Si{sub 3} has been synthesized by arc-melting of the elemental components. It adopts a new structure type and crystallizes in the orthorhombic space group Cmcm with a = 3.8127(4){angstrom}, b = 15.551(1){angstrom}, c = 7.0390(5){angstrom}, and Z = 4 (Pearson symbol oC28). The structure can be regarded as being built up of Re{sub 3}B-type slabs of composition Pd{sub 3}Si alternating with {alpha}-FeSi{sub 2} slabs of composition ZrSi{sub 2}. Notable features include the presence of Si{sub 2} pairs, square pyramidal and tetrahedral coordination of Pd centers by Si atoms, an unusual distorted cubic coordination of the Zr atoms by the Si{sub 2} pairs, and an extensive network of Zr-Zr, Zr-Pd, and Pd-Pd metal-metal bonds. ZrPd{sub 3}Si{sub 3} is weakly metallic with a room-temperature resistivity of 1.7 x 10{sup {minus}3} {Omega} cm. Extended Hueckel band structure calculations confirm the metallic ...
A simple model is used to explain the decrease in superconducting critical temperature with damage observed for irradiated A-15 compounds. A truncated t-matrix approximation is used to describe the disorder along the one-dimensional transition metal chains. Three dimensionality is introduced by the inclusion of interaction between transition metal atoms on different chains. Numerical fits to experiment are discussed in the conclusion. (author).
The separation, concentration, and determination of trace elements in iron ores are described. After the sample has been dissolved, the iron is separated by liquid-liquid extraction with a liquid cation-exchanger, di-(2-ethylhexyl) phosphoric acid. The trace elements aluminium, cadmium, calcium, chromium, cobalt, copper, lead, magnesium, manganese, mercury, potassium, sodium, vanadium, and zinc are determined in the aqueous phase by atomic-absorption spectrophotometry.
During the present grant period we have continued our study of the photodetachment of atomic negative ions using cross-beam photoelectron detachment spectroscopy. The experimental technique involves the measurement of, under conditions of good energy and angular resolution, kinetic energies, yields and angular distributions of photoelectrons ejected from the interaction region between perpendicularly crossed laser and negative ion beams. 6 figs.
The present report concerns a research for the tritium and for the carbon 14 in lichens in a spirit of bio-indication: the first results appear in Daillant and al (2004 ) and additional results were presented to the congress B.I.O.M.A.P. in Slovenia, organized collectively by the institute Josef Stefan from Ljubljana and the international atomic energy agency from Vienna (Daillant and al 2003). (N.C.)
This report presents criteria for the identification and evaluation of fire hazards in nuclear power stations. The report presents criteria that are consistent with the existing regulatory approach in Canada, and outlines engineering tools and analytical techniques currently available to deterministically analyse fire. The criteria presented cover the topics which should be included in a fire hazard analysis and provide details of each topic so that the accuracy of an analysis may be evaluated.
In order to meet the needs of remote servicing performed in nuclear power plants, in fuel reprocessing plants and in atomic research centers three companies: - STMI, subsidiary of CEA, EDF and SGN, specialized in decontamination and dismantling, - La Calhene, subsidiary of CEA and SGN, specialized in robotics, - Inspectronic, manufacturer of closed circuit television cameras, have combined to create the Visionic Society, the main objectives of which are observation by television and inspections in radioactive environment.
It is shown that the interpretation of the experimental results reported in the publication "Storage of Light in Atomic Vapor" by D.F.Phillips et al., Phys. Rev.Lett. 86, 783 (2001) [quant-ph/0012138] is incorrect. The experimental observation of this paper can be consistently explained in the framework of standard concepts of the physics of optical pumping and has nothing to do with "storage of light", or "dynamic reduction of the group velocity", or "light pulse compression".
The standard deviation of measurement results of a given element in XRF spectrometry depends on three factors: concentration and concentration region, atomic number and matrix. The effects of these factors were investigated by an XRF instrument type ARL 72.000 for aluminium metal, bauxite-red mud and aluminium using computerized data processing. A comparison of linear and nonlinear relation between concentration and the result of XRF analysis was made for the determination of standard deviation. (R.P.).
The structure of the title compound, Sr-bearing oxonitridoaluminosilicate (Sr-sialon), contains two types of channels running along the a axis, with the three unique Sr atoms...Full Text Available
The effect on an oscillator moving in a medium produced by that part of the radiative force which does not perform work but creates and angular moment is considered. It is shown that the radiative torque turns the dipole toward the axis along which it is moving. Near the axis of motion the dipole executes small oscilltions. The frequency of the oscillations is determined. This effect leads to spontaneous alignment of the dipole moments on moving through the medium. The feasibility of observing the effect experimentally is discussed.
In this work, the principal continuum radiative emission processes, which occur during the penetration of ions in solids or gases, are resumed. The characteristics of the following processes are discussed: secondary electron bremsstrahlung (SEB), atomic bremsstrahlung (AB), and internuclear bremsstrahlung (INB). Recent advances of the ion channeling effects in crystal solids on the spontaneous radiative spectra are exposed. (A.C.A.S.).
The use of stable indole-3yl-acetic acid (IAA) labeled by 6 atoms of 13C allowed, after [13C]IAA treatment, simultaneous gas chromatography-mass spectrometry quantifications of...Full Text Available
A large double-focusing mass spectrometer was used to obtain new values for the masses of Sr/sup 86/, Sr/sup 88/, and Zr/sup 90/. Mass differences calculated from these values are found to be in better agreement with nuclear transmutation information than were previous mass spectroscopically derived values. (auth)
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.
By using a laser and maser in tandem, it is possible to obtain laser action in the hot exhaust gases involved in heat engine operation. Such a "quantum afterburner" involves the internal quantum states of working gas atoms or molecules as well as the techniques of cavity quantum electrodynamics and is therefore in the domain of quantum thermodynamics. As an example, it is shown that Otto cycle engine performance can be improved beyond that of the "ideal" Otto heat engine.
Brief summaries are given of research carried out in the following areas: absorption spectroscopy of titanium, niobium, and molybdenum in uranium alloys; atomic absorption spectroscopy of selenium in stainless steel, computer program improvements for spectrophotometer control, and detection of beryllium in stack gases; electrolysis for inactivation of bacteria in cooling-tower water; improved solvent analysis by gas chromatography; sequential radionuclide separation for various sample matrices; progress on an electron microprobe analyzer; and miscellaneous projects.
Neutron Science Project was started at Japan Atomic Energy Research Institute since 1996 for promoting futuristic basic science and nuclear technology utilizing neutrons. For this purpose, research and developments of intense proton accelerator and spallation neutron target were initiated. The present paper describes the current status of such research and developments. (author)
Research performed at LAMPF during 1985 is reported in the areas of: nuclear and particle physics; atomic and molecular physics; materials science; radiation-effects studies; biomedical research and instrumentation; nuclear chemistry; radioisotope production; and physics theory. Also reported are the status of LAMPF-II, facility development work, and accelerator operations. (LEW)
At the beginning of the seventies, physicists discovered a new scale in the matter structure. Protons and neutrons, components of the atomic nucleus, seemed to be constituted by even more elementar particles: the quarks. But while they seemed to move freely inside the protons, it was impossible to isolate one of these quarks. The Nobel Prize for physics rewarded the explanation of this phenomenon (3 pages)
A hydrocarbon composition having a major portion of a hydrocarbon preferably a lubricating oil such as mineral oil and at least a friction-reducing amount usually 0.01 to 10 weight percent of an amine or amine derivative of a hydrocarbon-soluble polymerized fatty acid e.g. a dimeramine derived from a dicarboxylic acid containing at least 12 carbon atoms such as 9(10)-carboxy stearic acid has improved antifriction and flue economy properties.
The strength of adhesion of polybutylene terephthalate (PBT) on aluminium is investigated using density functional theory-based energy calculations. The aluminium atom is connected to a PBT monomer at different orientations, and total energies are calculated and compared to determine the most stable orientation. The binding is strongest when the Al is oriented at 180{sup 0} to the ester group of the monomer. Using this orientation as a basis, PBT adhesion on Ti, Ag, and Au is also investigated.
The existence of a narrow peak of electron state density in A-15 is explained by a strong electron-phonon interaction that brings about the polaron narrowing of zone. In the supposition of weak and intermediate bond, the analytical expression for the critical transition temperature is found that corre lates Tsub(c) with phonon spectrum. The model permits to explain Tsub(c) correlation with the number of electrons per atom, temperature direction of resistance, value and temperature dependence of magnetic susceptibility and electron thermal capacity.
The existence of a narrow peak of electron state density in A-15 is explained by a strong electron-phonon interaction that brings about the polaron narrowing of zone. In the supposition of weak and intermediate bond, the analytical expression for the critical transition temperature is found that corre lates Tsub(c) with phonon spectrum. The model permits to explain Tsub(c) correlation with the number of electrons per atom, temperature direction of resistance, value and temperature dependence of magnetic susceptibility and electron tehrmal capacity.
Much of the material presented in this book derived originally from the series ''Physical Processes in Gaseous Nebulae'' initiated at the Harvard College Observatory in the 1930's. The subject of gaseous nebulae, which offers opportunities for studies of stellar evolution, should be of interest to atomic physicists, spectroscopists, plasma experts, and to observers and theoreticians alike for the study of attenuated ionized gases.
To suppress space charge blowup in an ion beam passing through a photoneutralizer, it is necessary to introduce some background gas. An analysis is presented of the neutralization of a high-energy, >200-keV negative deuterium ion beam, exposed to photodetachment while in the presence of deuterium. With a gas thickness of <0.01 Torr.cm, the neutral fraction in the output beam is found to be about the same as that gotten from the photoneutralizer operating in vacuum. Neutral atom beam injection for plasma heating is discussed.
Using spectral hole-burning-based ultraslow group velocity in a dilute solid medium, we report enhanced photon echo efficiency three orders of magnitude higher than that in a nonslow light regime. The enhancement is due to exponentially increased absorption of an optical data pulse owing to the enhanced photon-atom interaction in an ultraslow light regime, whereas echo reabsorption is negligibly small due to group-velocity dependent population depletion.
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.
Two of the working sessions of the meeting were devoted to aspects of international atomic energy law; the international character of the meeting was also reflected by the home countries of the members of the panel discussion concluding the working sessions. There was substantial reason to put emphasis on the international dimension of the topics discussed. In June 1994, the Nuclear Safety Convention had been signed in Vienna by diplomatic representatives of the signatory countries, and this Convention marks a signpost in the history of international atomic energy law. At the time the meeting was held, negotiations for improving the international nuclear lability law, which had been dragging on since 1989, had come to a stalemate. The meeting offered a suitable forum for taking a scientific approach to tackle the complex problems involved in reshaping the law on nuclear safety and nuclear liability. The third working session of the meeting has ...
Nanocrystalline materials can exhibit properties which are considerably different from their coarse-grained counterparts, making them unique for basic or applied research and also very promising for potential applications. The topics which are addressed in the present paper are magnetic properties and magnetic correlations on the nanometer scale, mechanical properties, in particular the influence of grain boundaries on the elastic and plastic behaviour, and vibration models of grain boundary atoms in nanostructured materials. (author)
Magnetothermal measurements up to 1600 K have been made on alloys in the ternary Ni-Mn-Sb system with a constant ratio Mn/Sb=1/1, to which belong the two ferromagnetic Heusler phases Ni/sub 2/MnSb with L2/sub 1/ structure and NiMnSb with C1/sub b/ structure. The susceptibility-temperature curves show the constitution of the vertical section. At high temperatures the susceptibilities obey a Curie-Weiss law. In the solid state the effective magneton number decreases with increasing Mn concentration from 4.9 (Ni/sub 2/MnSb) to 3.8 (NiMnSb). Simultaneously, on the transition from Ni/sub 2/MnSb to NiMnSb there is a strong increase of the susceptibility and of the Curie temperature from 292 to 686 K. In the heterogeneous range between 10 and 20 at.% Mn another phase part appears which is ferromagnetic at room temperature. By a heat treatment it undergoes a distinct development. In the liquid phase, the alloys can be characterized by an extended Curie-Weiss law. Between 20 and 50 at.% Mn a ...
The membrane transport of the two stable lithium isotopes, {sup 6}Li and {sup 7}Li, by erythrocytes has been studied using a dual channel atomic absorption spectroscopic technique. {sup 6}Li appears to be taken up preferentially to {sup 7}Li, in the ratio of 10 to 40%, depending on the concentration of total lithium and on the lithium isotopic ratio in the external medium.
Auger-electron emission from different silicides has been studied for 4 and 10 keV Ar ion excitation. The intensity of the SiLMM Auger line changes significantly with channing concentration and atomic number of the metal-parthner. The experimental results can be explained in terms of a simple model based on the probability of Si-Si collision symmetric cascade in these binary compounds.
In response to severe maintenance problems caused by the highly corrosive toxic and radioactive substance used in the nuclear reprocessing industry, AEA Technology (formerly the United Kingdom Atomic Energy Authority) has developed a series of power fluidics devices with no moving parts. These maintenance-free devices are described in this article which also explores applications in fields outside their original brief. (UK).
The calculations with the broad-group cross-section library Bugle-96, and atom displacement (dpa) cross sections for iron, both derived from ENDF/B-VI data, result in higher calculated fast neutron fluxes, better agreement of calculations with radiometric dosimeter measurements, and significantly slower dpa rate attenuation through pressure vessel walls relative to the results with their predecessors: the Sailor library and ASTM iron dpa cross sections.
...Correction Discussion Editorial Letter Opinion Review Short Note Technical Note Special Issue all A Systematic Development Method for Rational Drug Design Advances in Molecular Electronic Structure Calculations Algorithms and Molecular Sciences Antimicrobial Agents Application of Density Functional Theory Applications of Density Functional Theory Applications of Molecular Dynamics Atoms in Molecules ...
We have performed precision measurements in a magneto-optical trap of the 7P1/2 hyperfine structure of the isotopes 209-210Fr. The ratio of these hyperfine constants to the previously measured 7S1/2 ground state values reveals a significant hyperfine anomaly. This anomaly results from the different radial dependence of the electron density in the two atomic levels. The measurements are sensitive to changes in the radial distribution of the neutron magnetism.
The hydrodynamics of gas evolution plays an important role in the pitting corrosion of metals. A new technique for the measurement of the local hydrodynamics caused by corrosion processes, using the atomic force microscope, has been presented in this work. The hydrodynamics of hydrogen evolution on Al surface due to pitting corrosion was studied. The characteristic features of the hydrodynamics are discussed. To the best of our knowledge this is the first local measurement of pitting corrosion hydrodynamics.
This report provides a chronological history of policies and practices relating to the management of radioactive waste for which the US Atomic Energy Commission and its successor agencies, the Energy Research and Development Administration and the Department of Energy, have been responsible since the enactment of the Atomic Energy Act in 1946. The defense programs and capabilities that the Commission inherited in 1947 are briefly described. The Commission undertook a dramatic expansion nationwide of its physical facilities and program capabilities over the five years beginning in 1947. While the nuclear defense activities continued to be a major portion of the Atomic Energy Commission`s program, there was added in 1955 the Atoms for Peace program that spawned a multiplicity of peaceful use applications for nuclear energy, e.g., the civilian nuclear power program and its associated nuclear fuel cycle; a ...
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.
According to the calculations, intensity of the KL_1L_2("3P_0) Auger transition should drastically increase with increasing atomic number Z due to the relativistic effects. However, this behavior was experimentally proved only for very few elements. A lack of enough precise experimental data in the atomic number region Z<45 does not enable one to distinguish between relativistic and non-relativistic approaches in this region. Thus for Z=38 the KL_1L_2("3P_0/"1P_1) intensity ratio was determined with relative uncertainty of 63 % in the only measurement with external excitation. Here we present results of our investigation of the KLL Auger electron spectrum of "8"8Sr generated in the EC decay of "8"8Y (T_1_/_2= 106.6 d). Electron spectra were measured with the 11 eV instrumental resolution using a combined electrostatic spectrometer. The present value of the KL_2L_3("1D_2) absolute transition energy in Sr is higher by 7.4 eV (i.e. more than ...
The radial distribution function (RDF) derived from wide angle X-ray diffraction patterns gives additional information about the spatial distribution of atoms. Their radial distances and relative average coordination numbers can be calculated using appropriate mathematical procedures. 7 refs.
Tow experiments were carried out in 1981 and 1982 growth seasons at the greenhouse of the department of agriculture for soils and water researches, atomic energy authority, at inshas, to investigate the responses of two mutation derived lines of sesame and the local cultivar giza 25 to the application of micro nutrients. The possible effect of radiation on germination and growth of sesame seed was also studied in a separate experiment conducted in 1985 season, at inshas.
Results of americium-242m and americium-242 preparation by irradiating initial americium-241 at a reactor in the form of a diphtalocyanine complex are presented. The enrichment coefficient, equalling 10, has been obtained using the extraction method of recoil atom separation from the parent isotope. Application of the chromatographic column with Dowex-50 permits to increase the enrichment coefficient of isotopes upto 24.6.
Americium 242m and americium 242 were prepared by reactor irradiation of americium 241 as its diphthalocyanine complex. The product atoms were extracted from the parent isotope at an enrichment factor of 10. A Dowex 50 chromatographic column raised the factor to 24.6.
Americium 242m and americium 242 were prepared by reactor irradiation of americium 241 as its diphthalocyanine complex. The product atoms were extracted from the parent isotope at an enrichment factor of 10. A Dowex 50 chromatographic column raised the factor to 24.6.
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 reverse micelle catalyst preparation method has been used to prepare catalysts on four supports: magnesium oxide, carbon, alumina- titania and steamed Y zeolite. These catalysts were not as active as a reference catalyst prepared during previous contracts to Union Carbide Corp. This catalyst was supported on steamed Y zerolite support and was impregnated by a pore-filling method using a nonaqueous solvent. Additional catalysts were prepared via pore- filling impregnation of steamed Y zeolites. These catalysts had levels of cobalt two to three and a half times as high as the original Union Carbide catalyst. On a catalyst volume basis they were much more active than the previous catalyst; on an atom by atom basis the cobalt was about of the same activity, i.e., the high cobalt catalysts` cobalt atoms were not extensively covered over and deactivated by other cobalt atoms. The new, high activity, Y ...
Radionuclide x-ray fluorescence analysis was used for the determination of Y, Ba and Cu in thin high-temperature superconducting films. Atomic emission ICP spectrometry was used to estimate the precision and accuracy of analytical results. Reasonable agreement between both methods was obtained when a polynomial calibration curve was applied. (author) 4 refs.; 4 tabs.
This paper describes the application of the instrumental analytical methods: neutron activation techniques, atomic absorption spectroscopy and flame emission spectroscopy, used to analyse some home-made teas, determining Na, K and Cl and comparing the results. This study verify whether the home-made teas used for rehydration of the children reach the composition recommended by WHO (World Health Organization). (author). 6 refs., 6 tabs.
Radiation processed wood-polymer composites (WPC) can replace conventional wood in many industrial applications. However, for proper utilization of the composites, adequate testing and evaluation programmes are essential. The paper briefly describes the development of WPC at the Bhabha Atomic Research Centre, Bombay, and the evaluation of WPC for various applications in greater details. The various mechanical properties and their significance in overall performance of WPC are also discussed. (author).
Deposition of CN-based films by a novel version of active screen plasma nitriding, aiming at surface modification of polymers, is reported. The approach relies on the use of pure graphite as the grid material, which was found to act both as an active screen and as a dry source of carbon atoms for the synthesis of thin films consisting mainly of a stoichiometric CN layer with columnar-type structure and dome-like nanostructured morphology.
To calculate the energy band structures in semiconductors using the relativistic augmented plane wave method, atomic potential and charge density are needed, which are calculated by self-consistent method. Wave function for one electron is determined by solving the Dirac equation with the Hartree-Fock equation based on the slater's exchange potential. The results of calculation for Cu"+"1 are given. (Author).
We derive the expression for spontaneous emission rate in finite one-dimensional photonic crystal with arbitrary defects using the effective resonator model to describe electromagnetic field distributions in the structure. We obtain explicit formulas for contributions of different types of modes, i.e. radiation, substrate and guided modes. Formal calculations are illustrated with a few numerical examples, which demonstrate that the application of effective resonator model simplifies interpretation of results.
3d occupation numbers of the transition elements corresponding to various types of atomic configurations are calculated by means of the linear muffin-tin orbital (LMTO) method. This data is used with the multiconfiguration Dirac-Fock (MCDF) X-ray intensity ratios to estimate the electron populations of the 3d metals in alloys.
3d occupation numbers of the transition elements corresponding to various types of atomic configurations are calculated by means of the linear muffin-tin orbital (LMTO) method. This data is used with the multiconfiguration Dirac-Fock (MCDF) X-ray intensity ratios to estimate the electron populations of the 3d metals in alloys.
Thirty years ago, in 1967, the new definition of the second based on a quantum phenomenon, the hyperfine splitting of the groundstate of the "1"3"3Cs atom, was passed by the 13th General Conference on Weight and Measure. What followed was a fascinating improvement of the performance of caesium clocks which is still pursued. Their total uncertainty could be reduced, until 1995, by 4 orders of magnitude. With the development of the so-called fountain clocks, another factor of ten is within reach. (orig.)
Energetic ions interact with materials by collisions with the nuclei and electrons of the atoms that make up the material. In these collisions energy and momentum is transferred from the projectile particle which is a moving atom or ion, to the target particles (atomic nucleus or electron). Each collision leads to a slowing down of the moving projectile and also a deflection of the trajectory which gives rise to the term scattering which is often used synonymously to describe the energy transfer process. In this chapter, we introduce from an experimental viewpoint the underlying theory for interaction of ions for analysis and modification of nanometer scale materials. A more detailed theoretical overview of the topic can be found in the recent monographs by Sigmund. Detailed derivations of the formulae introduced will not be given here but can be found in standard texts that are indicated by references. The treatment here ...
This illustrated booklet describes the fission process; the use of uranium to produce power in nuclear power stations (and a brief explanation of the differences between the principal types of reactor); the formation of plutonium and fission products; radioactive wastes and their management; nuclear fusion and a conceptual fusion reactor; alpha, beta and gamma radiations; radioisotopes and their applications. (U.K.).
Ideas about the interactions of charged particles with matter are discussed. First, some experimental information is presented. Concepts related to collision cross sections and the Bethe model for them are given. The stopping power is derived and applied to the discussion of depth dose functions ('Bragg curves'). Some details of the energy loss in microscopic volumes are discussed.
Nuclear forensics is a relatively new scientific branch whose aim it is to read out material inherent information from nuclear material. On the basis of material taken in safe-keeping in Germany, the procedure is illustrated and the limits and possibilities of nuclear forensics are shown, in particular the statements that can be made concerning the material, and the relation of the material with respect to a certain location of origin or manufacturing process. (orig.)
Sputter-removal rates of overlayer and interfacial species on silicon are analyzed to determine sputtering yields for the species involved. Sputtering yields up to two orders of magnitude lower than those measured for silicon are found, and the results are interpreted in terms of a cascade mixing process which continually reburies much of the overlayer material beyond the escape depth of the sputtered atoms.
Sputter-removal rates of overlayer and interfacial species on silicon are analyzed to determine sputtering yields for the species involved. Sputtering yields up to two orders of magnitude lower than those measured for silicon are found, and the results are interpreted in terms of a cascade mixing process which continually reburies much of the overlayer material beyond the escape depth of the sputtered atoms.
Radionuclide X-ray fluorescence analysis was used for the determination of Cu, Y and Ba in very thin high-temperature superconducting films. The precision of the method is better than 3% for about 1 #mu#m thick films. The atomic emission ICP spectrometry was used to testify results of XRF analysis. An acceptable agreement of both methods was obtained. (author) 4 refs.; 2 tabs.
An interface-marker technique has been used to investigate the relative rates of diffusion of Si and of metal atoms during the growth of metal silicide films. The technique enables recognition of a reference plane in thin film diffusion using Rutherford backscattering, while minimizing any perturbation of the diffusion process. Examples are drawn from studies of the growth of silicides of W, Mo, Ta, Nb, Pd and Pt. (orig.).
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.
Angular wave functions are investigated which describe the motion of two electrons in the field of a nucleus at fixed equal distances from electrons to the nucleus. Calculation methods are considered that include matching of power series and expansion in series of Legendre polynomials. Asymptotic properties of solutions at small large distances are determined.
In ab initio molecular dynamics, whenever information about the potential energy surface is needed for integrating the equations of motion, it is computed 'on the fly' using electronic structure calculations. For Born-Oppenheimer methods, the electronic structure calculations are converged, whereas in the extended Lagrangian approach the electronic structure is propagated along with the nuclei. Some recent advances for both approaches are discussed.
According to its relation to the dielectric response, the potential structure of CsH{sub 2}PO{sub 4} can successfully be modelled either as a three-well or as a single-well potential. The deviation from the Curie-Weiss law of the dielectric response has an intimate relationship to the low central potential in the unit cells, while ordering P atoms are assumed to drive its ferroelectric phase transition. (author)
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 quality of molecular dynamics (MD) simulations of proteins depends critically on the biomolecular force field that is used. Such force fields are defined by force-field parameter sets, which are generally determined and improved through calibration of properties of small molecules against experimental or theoretical data. By application to large molecules such as proteins, a new force-field parameter set can be validated. We report two 3.5 ns molecular dynamics simulations of hen egg white lysozyme in water applying the widely used GROMOS force-field parameter set 43A1 and a new set 45A3. The two MD ensembles are evaluated against NMR spectroscopic data NOE atom-atom distance bounds, {sup 3}J{sub NH{alpha}} and {sup 3}J{sub {alpha}}{sub {beta}} coupling constants, and {sup 1}5N relaxation data. It is shown that the two sets reproduce structural properties about equally well. The 45A3 ensemble fulfills the atom-atom distance bounds derived ...
The rare earth metal rich compounds RE4NiMg (RE=Y, Pr-Nd, Sm, Gd-Tm, Lu) were synthesized from the elements in sealed tantalum tubes in an induction furnace. All compounds were investigated by X-ray diffraction on powders and single crystals: Gd4RhIn type, space group F4-bar 3m, Z=16, a=1367.6(2) pm for Y4NiMg, a=1403.7(3) pm for Pr4NiMg, a=1400.7(1) pm for Nd4NiMg, a=1386.5(2) pm for Sm4NiMg, a=1376.1(2) pm for Gd4NiMg, a=1362.1(1) pm for Tb4NiMg, a=1355.1(2) pm for Dy4NiMg, a=1355.2(1) pm for Ho4NiMg, a=1354.3(2) pm for Er4NiMg, a=1342.9(3) pm for Tm4NiMg, and a=1336.7(3) pm for Lu4NiMg. The nickel atoms have trigonal prismatic rare earth coordination. These NiRE6 prisms are condensed via common edges to a three-dimensional network which leaves voids for Mg4 tetrahedra and the RE1 atoms which show only weak coordination to the nickel atoms. The single crystal data indicate two kinds of solid solutions. The RE1 positions ...
The transport and partitioning of {sup 129}I has been examined for a shallow groundwater flow system at Sturgeon Falls in northeastern Ontario. Recharge into a sandy surficial postglacial deltaic aquifer occurs in the vicinity of a seasonally-wet boreal forest. Concentrations of stable iodine, {sup 129}I, tritium, radiocarbon, stable isotopes and major ions were measured on samples of groundwater and precipitation. The present-day tritium profile delineates the position of the early 1960's above-ground nuclear weapons pulse at a depth of approximately 12 m. The concentrations of stable iodine for groundwaters above, near and below the above-ground nuclear weapons pulse range from 0.07 to 1.7 ppb. Over that same interval {sup 129}I concentrations decreased from 1.9 x 10{sup 6} atoms/L at 9 m, to approximately 1.9 x 10{sup 5} atoms/L in tritium-depleted waters at 35 m, below the present-day depth of the recharging above-ground nuclear ...
The objective of this paper is to perform an impact analysis of the Interim Storage Cask (ISC) of the Fast Flux Test Facility (FFTF) for a 4-ft end drop. The ISC is a concrete cask used to store spent nuclear fuels. The analysis is to justify the impact force calculated by General Atomics (General Atomics, 1994) using the ILMOD computer code. ILMOD determines the maximum force developed by the concrete crushing which occurs when the drop energy has been absorbed. The maximum force, multiplied by the dynamic load factor (DLF), was used to determine the maximum g-level on the cask during a 4-ft end drop accident onto the heavily reinforced FFTF Reactor Service Building`s concrete surface. For the analysis, this surface was assumed to be unyielding and the cask absorbed all the drop energy. This conservative assumption simplified the modeling used to qualify the cask`s structural integrity for this accident condition.
The possibility of the group preconcentration of Zr(4), Hf(4), Nb(5), and Ta(5) countercurrent liquid chromatography using extraction systems based on di-2-ethylhexylphosphoric acid N-benzoyl-N-phenylhydroxylamine, and tetraoctylethylenediamine (TOEDA) is studied. A method have been proposed for the group extraction of Zr(4), Hf(4), Nb(5), and Ta(5) from solution of geological samples. At the stage of the preconcentration of Zr(40, Hf(4), Nb(5) and Ta(5) with a 0.1 M solution of TOEDA in chloroform from mixture of oxalic (0.01 M) and hydrochloric (0.1 M) acids, matrix components are eluted with a flow of the mobile phase, Then, upon changing the eluent (2.0 M HCl), the four elements mentioned above are extracted to a small (7-8 mL) eluate fraction. The results of determining Zr, Hf, Nb, and Ta by inductively coupled plasma atomic emission spectrometry in the international standard reference material Granite GM after their preconcentration in the system with TOEDA ...
The most striking feature of quantum mechanics is the existence of superposition states, where an object appears to be in different situations at the same time. Up to now, the existence of such states has been tested with small objects, like atoms, ions, electrons and photons, and even with molecules. Recently, it has been even possible to create superpositions of collections of photons, atoms, or Cooper pairs. Current progress in optomechanical systems may soon allow us to create superpositions of even larger objects, like micro-sized mirrors or cantilevers, and thus to test quantum mechanical phenomena at larger scales. Here we propose a method to cool down and create quantum superpositions of the motion of sub-wavelength, arbitrarily shaped dielectric objects trapped inside a high--finesse cavity at a very low pressure. Our method is ideally suited for the smallest living organisms, such as viruses, which survive under low vacuum pressures, ...
Molar excess volumes, V{sup E} and molar excess enthalpies, H{sup E} of 1,3-dioxolane (D) (i) + propan-1-ol, 1,3-dioxolane (i) + butan-1-ol and 1,3-dioxolane (i) + butan-2-ol (j) binary mixtures have been measured as a function of composition at 308.15 K. The analysis of V{sup E} data by graph, theoretical approach reveals that while propan-1-ol, butan-1-ol exist as associated entities in the pure state; 1,3-dioxolane and butanol exist as monomers in their pure state. These (i+j) binary mixtures are characterized by interactions between ethereal oxygen atom of D(i) and hydrogen atom of alkanols. The IR studies lend additional support to the proposed structure of molecular entitles in these mixtures. The energetics of the mixtures have also been studied.
An outline is given of time-dependent wavepacket methods as applied to calculations of molecular collisions with solid surfaces. The methods reviewed include numerical integration algorithms for the time-dependent Schroedinger equation, semiclassical wavepacket treatments, and approximations that treat some of the degrees-of-freedom quantum-mechanically and others classically. The computational and numerical characteristics of these methods are discussed, with emphasis on their particular advantages and relevance in the context of certain molecule/surface scattering problems. For the semiclassical and mixed quantal-classical treatments, the approximation errors and their physical origins are discussed. For the quantum wavepacket techniques a numerical error analysis is presented. The computational efficiency of the various algorithms is considered and examined in the context of several applications. The main focus is on diffractive scattering of atoms and light ...
Development of techniques for separating isomeric nuclides is important to the investigation of schemes for gamma-ray lasers. In preparation for an experiment to separate 10_1_4 atoms of the /sub 197m/Hg (299 keV, tau/sub 1/2/ = 24 hours) isomer, we report isotopically selective resonance ionization of mercury atoms. This has been accomplished by three-step excitation via the 6_3P"1 and 8_1S"0 excited states, using three collinear pulsed laser beams of 254, 286, and 532 nm wavelengths from a Nd:YAG and two dye lasers. These beams were passed through a closed mercury-vapor cell containing electrostatic plates to which the ions were drawn. Ion current and fluorescent radiation were measured as a function of laser frequency. Hyperfine structures for the 254- and 286-nm transitions were observed.
The thermodynamic characteristics of sorption of the isomeric tricyclo[5.2.1.02.6]decane (tetrahydrodicyclopentadiene, TDCPD) molecules were for the first time determined experimentally and by molecular statistical methods under the conditions of gas-adsorption chromatography on graphitized thermal carbon black and gas-liquid chromatography on stationary liquid phases of different polarities (Apiezon L and Carbowax 20M). The effects of the chemical nature of sorbents on the retention of the TDCPD isomers are considered. A procedure for calculating the thermodynamic characteristics of adsorption of molecules with a complex structure is suggested within the framework of the atom-atom approximation of the semiempirical molecular statistical theory of adsorption for the example of isostructural norbornane molecules. The procedure involves simultaneous variation of geometric parameters and refinement of the parameters that determine the special features of the ...
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...
Free Electron Laser (FEL) with the wide wavelength tunability has been developed and used for various applications. The FEL gives high efficiency for the photo-induced ablation when the laser is tuned to an absorption maximum of the target. The FEL was tuned to 9.4 #mu#m, which is an absorption maximum of phosphoric acid ion, a known major component of dentine. The FEL pulse length was several ps. The average output power was varied from 5 to 20 mW by filters. The change of irradiated dentine surface was analyzed by mass spectroscopy and Energy Dispersive X-ray (EDX) spectroscopy. Positive ions which correspond to Na"+, CO_3"+ and many phosphoric acid ions were measured. It was found that atomic ratio of P/Ca had reduced from 0.65-0.60. The atomic ratio of P/Ca, however had not changed with irradiation by Er:YAG laser (2.9 #mu#m), or CO_2 laser (10.6 #mu#m). These results indicate the selective ablation of phosphoric acid ion by the 9.4 mm FEL ...
The influence of chemical composition and heat treatment on a low-carbon steel, chromium steel and high speed steel has been examined by polarisation curves and electrochemical parameters deduced from the Tafel plots. The electrochemical corrosion resistance, which is small between the as-received steels become greater after heat treatment, following the order: carbon steel < chromium steel #approx# high speed steel. To explain these differences, the nano- and microstructure of the steels has been characterized by the ex situ techniques of atomic force microscopy and optical microscopy, before and after surface etching with Nital (a solution of 5% HNO_3 in ethanol). This causes preferential attack of the ferrite phases showing the carbide phases more clearly. From these nanostructural studies it was possible to better understand why the passive films formed on chromium steel and high speed steel have superior protective properties to those formed on carbon ...
To understand the effect of heat treatment and mechanical polishing of a Nitinol wire on the chemical composition and physical morphology of the wire surface. Stents with a diameter of 1.0 cm, length of 8-10 cm, and composed of a Nitinol wire, were heat-treated at 500 .deg. C for 30 minutes, and mechanically polished with walnut shell granules. The wire surface morphology was studied with both an optical and a scanning electron microscope (SEM). In addition, an elemental analysis was performed by Energy Dispersive X-ray spectroscopy (EDX). Long microcracks along the wire direction and short microcracks across the wire were observed by SEM from the raw Nitinol wire. Upon heat treatment, the color of the wire turned blue, and Na, K, Cl, Si, Al atoms were seen from the EDX of the heat treated wire, which were absent in the original wire. The microcracks disappeared with the mechanical polishing, and the Na, K, Cl, Si, Al atoms all disappeared ...
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. Evaluation of the ...
Potassium atoms in selected high-lying np Rydberg states (80 #<=# n #<=# 400) are being used as a tool to examine electron-polar molecule collisions at ultra-low energies (#approx#80 #mu#eV - 1 meV). This energy regime has not been investigated previously and is of interest because the corresponding electron de Broglie wavelength is large, #approx#1300 - 330 Angstrom, and because the collision time is comparable to the period of molecular rotation. A variety of target molecules has been studied, including simple rotors such as HF, and more complex species such as NH_3, CH_3I, CH_2Br_2 and C_6H_5NO_2. These targets encompass a range of dipole moments and rotational behavior, but analysis of the data shows that in each case the cross section #sigma#(#epsilon#) for rotationally-inelastic electron-polar molecule scattering varies approximately as 1/#epsilon# where #epsilon# is the electron energy. Such threshold behavior is not predicted by the Born approximation ...
We present structure calculations of neutral and singly ionized Mg clusters of up to 30 atoms, as well as Na clusters of up to 10 atoms. The calculations have been performed using density functional theory (DFT) within the local (spin-)density approximation, ion cores are described by pseudopotentials. We have utilized a new algorithm for solving the Kohn-Sham equations that is formulated entirely in coordinate space and, thus, permits straightforward control of the spatial resolution. Our numerical method is particularly suitable for modern parallel computer architectures; we have thus been able to combine an unrestricted simulated annealing procedure with electronic structure calculations of high spatial resolution, corresponding to a plane-wave cutoff of 954eV for Mg. We report the geometric structures of the resulting ground-state configurations and a few low-lying isomers. The energetics and HOMO-LUMO gaps of the ground-state ...
When a highly collimated beam of particles is aimed along the atomic rows of an aligned single crystal, the averaging effect of high speed motion results, to the lowest order of approximation, in crystal electric fields which are transverse to the atomic rows. The enormous magnitude of the crystal transverse electric fields is unsurpassed by any other known earth-bound macroscopic sources. For example, the field strengths along the <100> axis of tungsten at 77 K approach 9{center dot}10{sup 13}V/m. Thus quantum electrodynamic (QED) processes in strong fields which are thought to occur only in the extra-terrestrial environment can now be investigated in the laboratory. Here we review the results of measurements performed at the SPS facility in CERN using highly collimated beams of electrons, positrons and photons in the 20-200 GeV range, and germanium crystals cooled to 77 K with thicknesses ranging from 0.07 mm to 1.40 mm. The focus is on ...
Since June 1997 the standards/specifications and inspection/certification of various products in Japan have been reviewed by Ministries and Agencies, with the aim of reducing direct government intervention to a necessary minimum and creating a free and fair socio-economic system that is fully opened to the international community and based on the rules of self-responsibility and market principles. Reflecting this policy the administrative regulations which prescribe technical standards as specific requirements have been revised by degrees into performance prescriptions. Detailed provisions in ordinances and notices have been abolished gradually to utilize voluntary standards and rules. In the nuclear energy field voluntary standards are being developed to make up statutory performance requirements by the Atomic Energy Society of Japan (AESJ) and the Japan Society of Mechanical Engineers (JSME) together with other organizations such as the Japan Electric ...
The relationship between the gas to melt ratio (GMR) and the surface temperature of an evolving billet surface in spray forming is investigated numerically. The basis for the analysis is an integrated approach for modelling the entire spray forming process. This model includes the droplet atomization taking thermal coupling into consideration and the deposition of material at the surface of the billet taking geometrical aspects such as shading into account. The coupling between these two models is accomplished by ensuring that the total droplet size distribution of the spray is the summation of ''local'' droplet size distributions along the r-axis of the spray cone. The criterion for a successful process has been a predefined process window characterised by a desired fraction solid range at a certain distance from the atomizer. Inside this process window, the gas and melt flows have been varied and the ...
Abstract A next generation material for surface passivation of crystalline Si is Al2O3. It has been shown that both thermal and plasma-assisted (PA) atomic layer deposition (ALD) Al2O3 provide an adequate level of surface passivation for both p- and n-type Si substrates. However, conventional time-resolved ALD is limited by its low deposition rate. Therefore, an experimental high-deposition-rate prototype ALD reactor based on the spatially separated ALD principle has been developed and Al2O3 deposition rates up to 1.2-nm/s have been demonstrated. In this work, the passivation quality and uniformity of the experimental spatially separated ALD Al2O3 films are evaluated and compared to conventional temporal ALD Al2O3, by use of quasi-steady-state photo-conductance (QSSPC) and carrier density ...
We report the direct molecular dynamics simulations for molecular ball bearings composed of fullerene molecules (C{sub 60} and C{sub 20}) and multi-walled carbon nanotubes. The comparison of friction levels indicates that fullerene ball bearings have extremely low friction (with minimal frictional forces of 5.283 x 10{sup -7} and 6.768 x 10{sup -7} nN/atom for C{sub 60} and C{sub 20} bearings) and energy dissipation (lowest dissipation per cycle of 0.013 and 0.016 meV/atom for C{sub 60} and C{sub 20} bearings). A single fullerene inside the ball bearings exhibits various motion statuses of mixed translation and rotation. The influences of the shaft's distortion on the long-ranged potential energy and normal force are discussed. The phonic dissipation mechanism leads to a non-monotonic function between the friction and the load rate for the molecular bearings.
A series of NHC silver(I), mercury(II) and palladium(II) complexes, [(1,3-diethylbimy)6Ag4I3]I (2), [(1-benzyl-3-picolylbimy)Ag2Br2]n (3), [(1-benzyl-3-picolylbimy)HgI(CH2CN)]2 (4), {[(1-picolyl-3-npropylbimy)2Hg][Hg2I6]}n (5) and [(1,3-dipicolylbimy)PdCl]Cl (6), as well as one anionic complex [1,3-diethylbimidazolium]2[HgI4] (1) (bimy=benzimidazol-2-ylidene), have been prepared and characterized. Interestingly, a wind wheel-like Ag4I3 arrangement in 2 is formed, 1D polymeric chain containing 12-membered macrometallocycles and quadrangle Ag2Br2 units in 3 is generated, and the a-carbon atom of deprotonated acetonitrile ([CH2CN]-) in 4 participates in coordination with mercury(II) atom. In the crystal packings of complexes 1-6, 2D supramolecular layers or 3D supramolecular architectures are...
In a relativistic density-functional theory the importance of the transverse photon contribution to the exchange potential in the high-density regime is pointed out. A neutral atom /sup 92/U is studied and its orbital energies calculated in the present scheme are compared with previous calculations based on relativistic Hartree, Dirac-Slater, and Dirac-Fock schemes and with experimental values from (electron spectroscopy for chemical analysis) ESCA studies. The present scheme is also used to calculate the orbital and total energies of some highly stripped ions of the Li isoelectronic sequence which occur as impurities in controlled thermonuclear plasma. These energies are found to be in close agreement with more involved Dirac-Fock results. Also, the relativistic effects significantly increase in going from C/sup 3 +/ to W/sup 71 +/ because the electronic density reaches values for which relativistic effects become large.
The paper gives results of a study to identify active sites and surface functional groups that may contribute to the absorption of elemental mercury (Hg) by relatively inexpensive calcium (Ca)-based sorbents. The study investigated the formation of chlorine (Cl) sites in CA-based sorbents as well as their role and reactivity in the absorption of Hg. HCl-exposed calcium sulfate dihydrate (gypsum) exhibited a superior Hg sorption capability. Crystalline water molecules on the surface of the gypsum were confirmed to contribute indirectly to Hg uptake. These surface molecules may have absorbed HC1 through hydrogen bond formation between an oxygen atom of a crystalline water molecule and a hydrogen atom of an HCl molecule. Two adjacent, physically absorbed HCl molecules could then trap an Hg molecule through formation of a mercuric-chloride-like molecule. Significant correlations between Cl and Hg uptake by gypsum were noted.
The paper gives results of a study to identify active sites and surface functional groups that may contribute to the absorption of elemental mercury (Hg) by relatively inexpensive calcium (Ca)-based sorbents. The study investigated the formation of chlorine (Cl) sites in CA-based sorbents as well as their role and reactivity in the absorption of Hg. HCl-exposed calcium sulfate dihydrate (gypsum) exhibited a superior Hg sorption capability. Crystalline water molecules on the surface of the gypsum were confirmed to contribute indirectly to Hg uptake. These surface molecules may have absorbed HC1 through hydrogen bond formation between an oxygen atom of a crystalline water molecule and a hydrogen atom of an HCl molecule. Two adjacent, physically absorbed HCl molecules could then trap an Hg molecule through formation of a mercuric-chloride-like molecule. Significant correlations between Cl and Hg uptake by gypsum were noted.
Samples of air-dust-concentration- and air-dust-deposit measurements were digested by a standardized wet digestion procedure and the amounts of substances in the dust according to class I TA Luft by Atomic Emission Spectroscopy with Inductively Coupled Plasma (AES-ICP). The characteristic values for procedures according to VDI 2449, sheet 1, were determined for lead, vanadium, cadmium, chromium, copper, nickel and zinc. By partial automatic control of the digestion procedure the personel expenditure of work could be reduced by a factor 13. Dust filter samples were analysed without sample preparation by evaporating the material with a solid state laser. The absolute detection limit was between 1 and 100 ng/cm"2 for the elements arsenic, cadmium, cobalt, chromium, mercury, antimony, selen and thallium. For sampling by means of the Beta-Staubmeter the relative detection limits for the laser-ICP were 10-fold lower than by use of a nebulizer. (orig.).
A new method for the preconcentration and determination of trace amounts of lead at the {mu}g/L level in natural waters has been established based on the formation of the thenoyltrifluoroacetone (TTA) complex with dibenzo-18-crown-6 (DB18C6) by means of synergistic extraction and back-extraction combined with atomic absorption spectrometry (AAS). The effect of various factors (synergism with TTA and DB18C6, shaking time, preconcentration factor, composition of the extracted species, and foreign ions etc.) on the extraction and back-extraction of lead has been investigated in detail. The lead-TTA chelate in o-dichlorobenzene forms a stable adduct with DB18C6 as Pb(TTA){sub 2} DB18C6. The stability constant ({beta}) of the adduct determined by curve fitting method was log {beta} = 4.2. The amount of lead in natural waters such as tap water (Kanazawa University) and Kakehashi river (Komatsu City) determined by the present method was found to be 0.64 {+-} 0.02 {mu}g/L ...
Device for separating and collecting ultrafine atomized powder from the gas stream of a gas atomizing apparatus comprises a housing having an interior wall oriented at an angle relative to horizontal so as to form a downwardly converging, conical expansion chamber, an inlet conduit communicated to the expansion chamber proximate an upper region thereof for receiving the gas stream, and an outlet proximate a lower region of the expansion chamber. The inlet conduit is oriented at a compound inclined angle (with respect to horizontal) selected to promote separation and collection of powder from the gas stream in the expansion chamber. The compound angle comprises a first entrance angle that is greater than the angle of repose of the powder on the housing interior wall such that any powder accumulation in the inlet conduit tends to flow down the wall toward the outlet. The second angle is selected generally equal to the angle of the housing ...
Research highlights: {yields} The polarization curve of 316L SS possesses five turning potentials in passive region. {yields} Films formed at turning potentials perform different electrochemical and semiconductor properties. {yields} Dissolutions and regenerations of passive film at turning potentials are obtained by AAS and XPS. {yields} Turning potentials appearing in passive region are ascribed to the changes of the compositions of the passive films. - Abstract: The passivity of 316L stainless steel in borate buffer solution has been investigated by Mott-Schottky, atomic absorption spectrometry (AAS) and X-ray photoelectron spectroscopy (XPS). The results indicate that the polarization curve in the passive region possesses several turning potentials (0 V{sub SCE}, 0.2 V{sub SCE}, 0.4 V{sub SCE}, 0.6 V{sub SCE} and 0.85 V{sub SCE}). The passive films formed at turning potentials perform different electrochemical and semiconductor properties. Further, the ...
The enhancement of positive secondary ion yields of silicon due to the presence of oxygen has been investigated quantitatively by low-energy (5 keV) oxygen implantation. Implantation and sputter profiling with 9 keV In/sup +/ were performed in the same ion microprobe instrument. Depth profiles of substrate and implanted oxygen atoms were measured for fluences ranging from 5x10/sup 15/ to 4x10/sup 16/ O-atoms/cm/sup 2/. The oxygen concentration, c(O), in the sample was deduced from the implanted fluence and the range distribution in the Gaussian approximation. It was found that the oxygen-enhanced Si/sup +/ intensity is proportional to c(O)sup(x) (with x=1.4) in the concentration regime, 1.5<=c(O)<=30 at%. The O/sup +/ intensity shows a similar dependence for c(O)> or approx.20 at.%.
This report presents the results obtained from the application of the accident consequence assessment code, called OSCAAR, developed in Japan Atomic Energy Research Institute to the Iput dose reconstruction scenario of BIOMASS Theme 2 organized by International Atomic Energy Agency. The Iput Scenario deals with {sup 137}Cs contamination of the catchment basin and agricultural area in the Bryansk Region of Russia, which was heavily contaminated after the Chernobyl accident. This exercise was used to test the chronic exposure pathway models in OSCAAR with actual measurements and to identify the most important sources of uncertainly with respect to each part of the assessment. The OSCAAR chronic exposure pathway models almost successfully reconstructed the whole 10-year time course of {sup 137}Cs activity concentrations in most requested types of agricultural products and natural foodstuffs. Modeling of {sup 137}Cs downward migration in soils is, ...
The International Atomic Energy Agency (IAEA) started the Coordinated Research Program entitled ```The Safety Assessment of Near-Surface Radioactive Waste Disposal Facilities.`` The program is aimed at improving the confidence in the modeling results for safety assessments of waste disposal facilities. The program has been given the acronym NSARS (Near-Surface Radioactive Waste Disposal Safety Assessment Reliability Study) for ease of reference. The purpose of this report is to present the ORNL modeling results for the first test case (i.e., Test Case 1) of the IAEA NSARS program. Test Case 1 is based on near-surface disposal of radionuclides that are subsequently leached to a saturated-sand aquifer. Exposure to radionuclides results from use of a well screened in the aquifer and from intrusion into the repository. Two repository concepts were defined in Test Case 1: a simple earth trench and an engineered vault.
This paper reports on the superiority of zeolites over amorphous solids which is well documented for solid acid catalysts of industrial use. Crystalline supports, likewise, open attractive perspectives for catalysis by metals, alloys, and ligated metal clusters. Size and location of clusters can be controlled by careful design of the preparation conditions. Pore dimensions control the access of reactants to active sites and escape paths for products. Cage dimensions determine which transition states can be attained; window apertures are functional in isolating metal clusters from each other, thus preventing ther coalescence and growth. The ship-in-a-bottle method permits deisgn of fairly large active complexes entrapped in zeolite cages. Orientation of non-spherical molecules in a zeolite proe helps to direct their collision with a metal particle to the head on mode; however, isolated Pt atoms hidden in niches of the pore walls can attack passing molecules at their ...
Monte-Carlo simulations of 2-MeV #alpha#-particle channeling in Si_1_-_xSn_x alloys with 0#<=#x#<=#1 have been performed. The simulations are compared with measured channeling-angular scans for strained Si_0_._9_5Sn_0_._0_5 layers grown by molecular beam epitaxy (MBE). Agreement between simulated and measured angular scans can only be achieved if we assume a deviation of the crystal structure from the ideal one. This deviation can be attributed to a mosaic structure in the films and to an atomic-scale distortion of the crystal lattice due to an expected difference in the bond lengths between the Si-Si, Si-Sn and Sn-Sn atoms (such a difference in bond lengths has been observed in the epitaxial Si_1_-_xGe_x system). The contributions from both of these imperfections are estimated and discussed.
New oxomolybdenum(V) complexes MoOClL (where LH/sub 2/ = Schiff base) derived from ethanolamine and salicylaldehyde, 5-chlorosalicylaldehyde, 5-bromosalicylaldehyde, 5-nitrosalicylaldehyde, 3-ethoxysalicylaldehyde and 2-hydroxy-1-naphthaldehyde have been synthesized and characterised by elemental analyses, conductance, molecular weight, I.R. and electronic spectra and magnetic measurements. The Schiff bases behave as dibasic tridentate ONO donor ligands. The complexes are non-electrolytes and dimers. The complexes exhibit subnormal magnetic moments and are involved in antiferromagnetic exchange with S = 0 ground state. The complexes exhibit electronic spectral bands at ca. 13000 and ca. 17000 cm/sup -1/ due to the transitions dsub(xy)- > dsub(xz,yz) (/sup 2/B/sub 2/- > /sup 2/E) and dsub(xy)- > dsub(x2-y2) (/sup 2/B/sub 2/- > /sup 2/B/sub 1/), respectively. The ..nu..(Mo = O) frequency of the complexes is observed in the 900-970 cm/sup -1/ region. On the basis of the ...
New oxomolybdenum(V) complexes MoOClL (where LH_2 = Schiff base) derived from ethanolamine and salicylaldehyde, 5-chlorosalicylaldehyde, 5-bromosalicylaldehyde, 5-nitrosalicylaldehyde, 3-ethoxysalicylaldehyde and 2-hydroxy-1-naphthaldehyde have been synthesized and characterised by elemental analyses, conductance, molecular weight, i.r. and electronic spectra and magnetic measurements. The Schiff bases behave as dibasic tridentate ONO donor ligands. The complexes are non-electrolytes and dimers. The complexes exhibit subnormal magnetic moments and are involved in antiferromagnetic exchange with S = 0 ground state. The complexes exhibit electronic spectral bands at ca. 13000 and ca. 17000 cm"-"1 due to the transitions dsub(xy)->dsub(xz,yz) ("2B_2->"2E) and dsub(xy)->dsub(x2-y2) ("2B_2->"2B_1), respectively. The #nu#(Mo=O) frequency of the complexes is observed in the 900-970 cm"-"1 region. On the basis of the magnetic susceptibility, i.r. and molecular weight data a ...
We present an atomistic simulation of the Ostwald ripening of extrinsic defects (clusters, {l_brace}1 1 3{r_brace}s and dislocation loops) which occurs during annealing of ion implanted silicon. The model describes the capture and emission of Si interstitial atoms to and from extrinsic defects of sizes up to thousands of atoms and includes a loss term due to the flux of interstitials to the recombining surface. Key input parameters of the simulation are the variations of the formation energy and of the capture efficiency with the size of the different defects. This model shows that the kinetics of the well-known dissolution of {l_brace}1 1 3{r_brace} defects is only driven by the recombination efficiency at the surface and the distance from the defects to the sample surface. We have subsequently used this model to study defect evolution in low and ultra low energy (ULE) B implanted Si during annealing. Defect dissolution occurs earlier and at ...
We present an atomistic simulation of the Ostwald ripening of extrinsic defects (clusters, #left brace#1 1 3#right brace#s and dislocation loops) which occurs during annealing of ion implanted silicon. The model describes the capture and emission of Si interstitial atoms to and from extrinsic defects of sizes up to thousands of atoms and includes a loss term due to the flux of interstitials to the recombining surface. Key input parameters of the simulation are the variations of the formation energy and of the capture efficiency with the size of the different defects. This model shows that the kinetics of the well-known dissolution of #left brace#1 1 3#right brace# defects is only driven by the recombination efficiency at the surface and the distance from the defects to the sample surface. We have subsequently used this model to study defect evolution in low and ultra low energy (ULE) B implanted Si during annealing. Defect dissolution occurs ...
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 irradiation and during ...
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 scattering.
The local environment of Ca dopants in barium titanate, BaTiO_3, is investigated by Ca K-edge X-ray absorption near-edge structure (XANES) spectroscopy. In conjunction with experiments, first-principles calculations by two methods are systematically made. The projector-augmented wave (PAW) method is used to optimize the local structure and obtain the formation energy. The augmented plane wave plus local orbitals method is adopted to obtain theoretical XANES spectra. A comparison between experimental and theoretical XANES spectra shows that Ca dopants are located at the Ba"2"+ sites forming Ca"2"+. Formation energy calculations of Ca doped BaTiO_3 by the PAW method also give the same results. The Ca atom in BaTiO_3 is off-centering in comparison with the Ba site in BaTiO_3. The off-centering of Ca atom is newly revealed by the combination of XANES spectroscopy and first-principles DFT calculations.
We have measured the lattice relaxation around As in Si at a homogeneous As concentration of 4x10"1"8 cm"-"3 by EXAFS spectroscopy. From the absorption spectra, distances up to the 4th shell could be extracted. A sizeable misfit due to an increased distance is only observed for the 1st shell. Complementing our experimental work we have performed ab initio calculations based on the density functional theory with the WIEN97 package which uses the linearised augmented plane wave method and with the FHI96md program which uses first-principles pseudo-potentials and a plane wave basis set to investigate the size dependence of the super-cells constructed around one substitutional As atom. The calculations yielded good agreement with our EXAFS experiment so that the determined relaxations can be used as a solid basis for further interpretations of derived parameters such as hyperfine interaction parameters in defect complexes.
The atomic structure of [001] tilt grain boundaries of {Sigma}5 (210), {Sigma}5 (310), {Sigma}13 (320) and {Sigma}17 (410) in TiO{sub 2}(rutile) were studied using high resolution electron microscopy and computer simulation. Regularly separated small steps (1/2 [120] high) and big steps (3/2 [120] high) which contain secondary dislocations were found in the (210) boundary as a result of deviation from the exact {Sigma}5 misorientation and (210) symmetric plane. Similar steps were also found in (310) and (320) boundaries. Flat segments between the steps were found to have very accurate misorientation of the {sigma}`s and a nearly symmetric boundary plane. Their rigid body translation, volume expansion and relaxed structures were determined by comparing HRTEM images with computer calculated structures and simulated images. An irregular core structure was found in the (410) boundary when its misorientation deviated 2{degree} from the exact {Sigma}17 misorientation.
The linearized-augmented-plane-wave (LAPW) method for thin films is generalized by removing the remaining shape approximation to the potential inside the atomic spheres. A new technique for solving Poisson's equation for a general charge density and potential is described and implemented in the film LAPW method. In the resulting full-potential LAPW method (FLAPW), all contributions to the potential are completely taken into account in the Hamiltonian matrix elements. The accuracy of the method: already well known for clean metal surfaces: is demonstrated for the case of a nearly free (noninteracting) O_2 molecule which is a severe test case of the method because of its large anisotropic charge distribution. Detailed comparisons show that the accuracy of the FLAPW results for O_2 exceeds that of existing state-of-the-art local-density linear-combination-of-atomic-orbitals (LCAO)-type calculations, and that taking the full potential LAPW results ...
Detailed spray characteristics were obtained for a small-capacity, pressure-swirl atomizer using an Aerometrics phase-Doppler particle analyzer. Measurements included drop size and velocity distributions, liquid volume fluxes, and air velocities at four axial locations, 25,50,75, and 100 mm, with complete radial traverses at each location. Drop size results were compared with measurements from a Malvern laser-diffraction instrument, and integrated liquid volume fluxes were compared with measured flow rates to estimate measurement uncertainties. Drop sizes measured by the two independent techniques and area-weighted-averaged over the radial traverses at each of the four axial stations varied on average by less than 4 percent. Integrated volume flux measurements by the phase-Doppler instrument at four axial stations differed from the nozzle flow rate by at most 19 percent, with some of the difference due to evaporation. The phase-Doppler data were used to begin an ...
A complete macromolecule modeling package must be able to solve the simplest structure prediction problems. Despite recent successes in high resolution structure modeling and design, the Rosetta software suite fares poorly on deceptively small protein and RNA puzzles, some as small as four residues. To illustrate these problems, this manuscript presents extensive Rosetta results for four well-defined test cases: the 20-residue mini-protein Trp cage, an even smaller disulfide-stabilized conotoxin, the reactive loop of a serine protease inhibitor, and a UUCG RNA tetraloop. In contrast to previous Rosetta studies, several lines of evidence indicate that conformational sampling is not the major bottleneck in modeling these small systems. Instead, approximations and omissions in the Rosetta all-atom energy function currently preclude discriminating experimentally observed conformations from de novo models at atomic resolution. These molecular ...
High concentrations of self-interstitials are trapped by dopant atoms during ion implantation into Si. For group V dopants, these complexes are sufficiently stable to survive solid-phase-epitaxial (SPE) growth but break up on subsequent thermal processing and cause a transient-enhanced diffusion. Dopant diffusion coefficients are enhanced by up to five orders of magnitude over tracer values and are characterized by an activation energy of approximately one half of the tracer values. In the case of group III dopants, any complexes formed during implantation do not survive SPE growth but a second source of self-interstitials becomes significant and leads to similar transient effects. This is the damaged layer underlying the original amorphous/crystalline interface. These observations provide direct evidence for long-range self-interstitial migration in Si, and we believe these are the first observations of the interstitialcy diffusion mechanism with no vacancy ...
High concentrations of self-interstitials are trapped by dopant atoms during ion implantation into Si. For group V dopants, these complexes are sufficiently stable to survive solid-phase-epitaxial (SPE) growth but break up on subsequent thermal processing and cause a transient-enhanced diffusion. Dopant diffusion coefficients are enhanced by up to five orders of magnitude over tracer values and are characterized by an activation energy of approximately one half of the tracer values. In the case of group III dopants, any complexes formed during implantation do not survive SPE growth but a second source of self-interstitials becomes significant and leads to similar transient effects. This is the damaged layer underlying the original amorphous/crystalline interface. These observations provide direct evidence for long-range self-interstitial migration in Si, and we believe these are the first observations of the interstitialcy diffusion mechanism with no vacancy ...
In the present paper it is assumed that above a limiting value of fission fluency (burn-up) a more intensive process of irradiation introduced chemical interaction occurs. A significant part of fission gas product is thus expected to be chemically bounded in the matrix of UO_2 fuel. The fission gas atoms substituting, for example, uranium atoms in the crystallographic lattice can form weak facets. At a certain saturation condition, division of the grains can occur at the weak facets and the increase in fission-gas products release may be expected. The fact that the process of grain division for high burn-ups (70-80 MWd/kgU) forms an extremely fine structure up to the temperature as high as 1100 "oC and simultaneously the observed decreases in fission gas concentration in the fuel supports this concept. The analysis of fission gas concentration change due to the formation of nanostructures in UO_2 fuel at high burn-ups in terms of total surface ...
The atomic structures of calcium sialons Ca_xSi_1_2_-_mAl_mN_1_6 (m = 0.5, 1, 2, 4) with the #alpha#- or #beta#-Si_3N_4-type structure were calculated, using the ab initio DFT approach, including relaxations of both lattice parameters and positions of the atoms. For all m values the #alpha#-Si_3N_4-type structure has a lower energy than the #beta#-type. For m = 1, 2 and 4 the #alpha#-type structure is also stable against decomposition into the metal nitrides, in agreement with experimental data. For m = 0.5 stability becomes uncertain. Al ions prefer positions close to Ca. Rather strong structural relaxations occur around the Ca ion.
Over the past few years, NPCIL has performed comprehensive Level-1 Probabilistic Safety Assessment (PSA) for a 220 MWe Pressurised Heavy Water Reactor (PHWR) at Kakrapar Atomic Power Station (KAPS) and for the first 540 MWe PHWR at Tarapur Atomic Power Project (TAPP- 3 and 4). The major objective of these PSAs was to present an integrated picture of the safety of the plant to identify and understand key plant vulnerabilities. As a result of the availability of these PSAs, there is a desire to use them to operate the plants in the most efficient manner practicable. In recent years, the operation of Indian Nuclear Power Plants has been characterized by improved availability/capacity factors and reduced forced outages. Frequency of planned outages is also being reduced. In order to achieve this, the PSAs are now being used as an engineering tool for optimization of Technical Specifications with regard to Allowed Outage Time (AOT) and Surveillance ...
Three types of titanium hydrides have been reported: #delta#, #epsilon# and #gamma# hydrides. The #delta# hydride forms in the composition range from TiH/sub 1.5/ to TiH/sub 1.99/ and has a CaF/sub 2/ structure with metal atoms on an fcc lattice and hydrogen atoms randomly occupying tetrahedral interstitial sites. At higher hydrogen concentrations, TiH/sub 2/, the fct (c/a # #epsilon# transformation is apparently diffusionless, similar to that operating in the cubic/tetragonal transformation in zirconium hydride. The metastable fct #gamma# hydride having a c/a value of 1.09 or 1.12 forms from solid solutions of hydrogen in the hcp #alpha# matrix. While the titanium hydride precipitation in #alpha#-Ti and its alloys has attracted extensive investigation, hydride formation in bcc #beta#-Ti alloys has rarely been studied because they have not been thought to be liable to hydride formation. This paper shows conclusive evidence for the fcc #delta# ...
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 such as electrode kinetics, electron ...
In this work, the silicon oxynitride layer was studied as a tunneling layer for non-volatile memory application by fabricating low temperature polysilicon thin film transistors on glass. Silicon wafers were oxynitrided by only nitrous oxide plasma under different radio frequency powers and plasma treatment times. Plasma oxynitridation was performed in RF plasma using inductively coupled plasma chemical vapor deposition. The X-ray energy dispersive spectroscopy was employed to analyze the atomic concentration ratio of nitrogen/oxygen in oxynitride layer. The oxynitrided layer formed under radio frequency power of 150 W and substrate temperature of 623 K was found to contain the atomic concentration ratio of nitrogen/oxygen as high as 1.57. The advantage of high nitrogen concentration in silicon oxide layer formed by using nitrous oxide plasma was investigated by capacitance-voltage measurement. The analysis of capacitance-voltage characteristics ...
In this work, the silicon oxynitride layer was studied as a tunneling layer for non-volatile memory application by fabricating low temperature polysilicon thin film transistors on glass. Silicon wafers were oxynitrided by only nitrous oxide plasma under different radio frequency powers and plasma treatment times. Plasma oxynitridation was performed in RF plasma using inductively coupled plasma chemical vapor deposition. The X-ray energy dispersive spectroscopy was employed to analyze the atomic concentration ratio of nitrogen/oxygen in oxynitride layer. The oxynitrided layer formed under radio frequency power of 150 W and substrate temperature of 623 K was found to contain the atomic concentration ratio of nitrogen/oxygen as high as 1.57. The advantage of high nitrogen concentration in silicon oxide layer formed by using nitrous oxide plasma was investigated by capacitance-voltage measurement. The analysis of capacitance-voltage characteristics ...
The KLL Auger electron spectrum of "8"8Sr generated in the EC-decay of "8"8Y has been analyzed at the instrumental resolution of 11 eV using a combined electrostatic spectrometer. Energies and relative intensities of the all nine transitions were determined and compared with theoretical predictions. Our value of 12067.3(12) eV measured for the absolute energy of the dominant KL_2L_3("1D_2) transition was found to be higher by 7.4 eV (i.e., more than 3#sigma#) than that one obtained in a measurement with external excitation. The discrepancy indicates substantial influence of the 'atomic structure effect' on absolute transition energies in our experiment. Very good agreement of the measured 0.14(3) and predicted 0.12 values for the KL_1L_2("3P_0/"1P_1) Auger transition intensity ratio clearly proved the predicted strong influence of the relativistic effects on the KL_1L_2("3P_0) transition rate even at Z = 38.
In this paper, we study the effect of the Ge{sup +} preamorphization dose on boron diffusion and on the thermal evolution of end of range (EOR) defects during annealing. Amorphizations were carried out by implanting Ge{sup +} at 150 keV to doses ranging from 1x10{sup 15} to 8x10{sup 15} ions/cm{sup 2}. Boron was subsequently implanted at 3 keV with a dose of 1x10{sup 14} ions/cm{sup 2}. Rapid thermal annealing (RTA) was performed for various time/temperature combinations in nitrogen ambient. Secondary ion mass spectroscopy (SIMS) and transmission electron microscopy (TEM) were used to study boron diffusion and defect evolution, respectively. We have found that after a given annealing, both the defect size and boron diffusivity are independent on the Ge ion dose. Increasing this dose only results in an increase of the defect density. These results are discussed and definitely show that EOR defects are involved in a quasi-conservative Ostwald ripening process during annealing. The ...
In this paper, we study the effect of the Ge"+ preamorphization dose on boron diffusion and on the thermal evolution of end of range (EOR) defects during annealing. Amorphizations were carried out by implanting Ge"+ at 150 keV to doses ranging from 1x10"1"5 to 8x10"1"5 ions/cm"2. Boron was subsequently implanted at 3 keV with a dose of 1x10"1"4 ions/cm"2. Rapid thermal annealing (RTA) was performed for various time/temperature combinations in nitrogen ambient. Secondary ion mass spectroscopy (SIMS) and transmission electron microscopy (TEM) were used to study boron diffusion and defect evolution, respectively. We have found that after a given annealing, both the defect size and boron diffusivity are independent on the Ge ion dose. Increasing this dose only results in an increase of the defect density. These results are discussed and definitely show that EOR defects are involved in a quasi-conservative Ostwald ripening process during annealing. The diffusive behavior of boron suggests ...
The effect of hydrostatic pressure applied at high temperature on photoluminescence of Si-implanted SiO_2 films was studied. A 'blue'-shift of PL spectrum from the SiO_2 films implanted with Si"+ ions to total dose of 1.2x10"1"7 cm"-"2 with increase in hydrostatic pressure was observed. For the films implanted with Si"+ions to a total dose of 4.8x10"1"6 cm"-"2 high temperature annealing under high hydrostatic pressure (12 kbar) causes a 'red'-shift of photoluminescence spectrum. The 'red' photoluminescence bands are attributed to Si nanocrystals while the 'blue' ones are related to Si nanocrystals of reduced size or chains of silicon atoms or Si-Si defects. A decrease in size of Si nanocluster occurs in result of the pressure-induced decrease in the diffusion of silicon atoms. (author)
Human hair fibers experience tensile forces during grooming and styling processes. The tensile response of hair is hence of considerable interest to the cosmetics industry. In this study, in situ tensile characterization studies have been carried out in an atomic force microscope (AFM) on different hair under different conditions. A custom-built AFM sample stage allows hair fibers to be loaded in tension. A technique to locate and image the same control area at different strains has been developed to study the changes in morphology that occur with deformation. Virgin Caucasian, Asian and African hair were studied to understand the differences between different ethnic hair types. Also, the tensile response and morphological changes of virgin, chemically damaged and conditioner-treated Caucasian hair after soaking were compared against the corresponding dry tensile response. Finally, virgin, damaged and treated Caucasian hair fibers were subjected to fatigue cycling ...
Kaolinite intercalated with potassium acetate is of great interest in the areas of environmental remediation and industrial application; however, its exact atomic structure and the changes which occur when heated have remained largely elusive. Here, neutron pair distribution function analysis is used to investigate the local structural characteristics of this complex material, revealing that hydrated potassium acetate exists as a single layer in the interlamellar spacing of kaolinite. Furthermore, the potassium ions within the intercalated complex are most likely associated with the resonance structure of the acetate molecules, and upon heating (and decomposition of the carbon containing molecules), these ions become strongly associated with the negative charge located on the oxygen atoms in the alumina layers of dehydroxylated kaolinite. Several possible orientations of hydrated potassium acetate within the interlamellar spacing of kaolinite ...
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, thermal scattering data, and ...
Displacements per atom (DPA) is a widely used damage unit for displacement damage in nuclear materials. Calculating the DPA for SiC irradiated in a particular facility requires a knowledge of the neutron spectrum as well as specific information about displacement damage in that material. In recent years significant improvements in displacement damage information for SiC have been generated, especially the energy required to displace an atom in an irradiation event and the models used to describe electronic and nuclear stopping. Using this information, numerical solutions for the displacement functions in SiC have been determined from coupled integro-differential equations for displacements in polyatomic materials and applied in calculations of spectral-averaged displacement cross sections for SiC. This procedure has been used to generate spectrally averaged displacement cross sections for SiC in a number of reactors used for radiation damage ...
Displacements per atom (DPA) is a widely used damage unit for displacement damage in nuclear materials. Calculating the DPA for SiC irradiated in a particular facility requires a knowledge of the neutron spectrum as well as specific information about displacement damage in that material. In recent years significant improvements in displacement damage information for SiC have been generated, especially the energy required to displace an atom in an irradiation event and the models used to describe electronic and nuclear stopping. Using this information, numerical solutions for the displacement functions in SiC have been determined from coupled integro-differential equations for displacements in polyatomic materials and applied in calculations of spectral-averaged displacement cross sections for SiC. This procedure has been used to generate spectrally averaged displacement cross sections for SiC in a number of reactors used for radiation damage ...
The purpose of this communication is to determine whether the solubility enhancements for cold-worked Pd-Ni alloys increase or decrease with atom fraction of Ni. Substitutional Ni atoms contract and Pd lattice, in contrast to the lattice expansion resulting from substitutional Ag in Pd. The Pd-Ni alloy system forms a continuous series of fcc solid solution alloys over the whole composition range. The solubility enhancements will also be determined for a series of homogeneous, ternary Pd[sub 1[minus]x]Ni[sub 1/2x]Ag[sub 1/2x] alloys for x in the range from 0 to 0.2. For this series of ternary alloys the fcc lattice parameters do not change significantly from that of pure Pd. The alloys used in this research were purchased from Tanaka Kikinzoku Kogyo K.K. The detailed experimental procedure has been described previously. The alloys were all deformed by cold-rolling ca 90%. Both the binary and ternary alloys showed only single sets of fcc lattice ...
X-ray magnetic diffraction (XMD) technique was applied to an orbital ordering compound of ferromagnetic YTiO_3 for the first time. The orbital-magnetic form factor #mu# _L(k) and the spin-magnetic form factor #mu# _S(k) were independently measured by utilizing the LS separation ability of the XMD. The #mu# _L(k) was measured for ten reciprocal-lattice points. No significant values of the #mu# _L(k) were observed for most of the reciprocal-lattice points within the estimated statistical errors, which suggested quenching of the orbital moment. The #mu# _S(k) was measured for 22 reciprocal-lattice points. Fourier synthesis of the #mu# _S(k) gave the spin density distribution m _S(r) in the real space. The obtained m _S(r) map shows the characteristic feature of the electron distribution of 3d electron in the t_2_g state of a Ti atom coordinated by O"2"- ions, in which the electrons are distributed away from the negative O"2"- ions. It is concluded that the electron ...
In this experiment, a Si wafer containing four lightly doped B marker layers epitaxially grown by CVD has been implanted with 100 keV Si{sup +} ions to a dose of 2 x 10{sup 14} ions/cm{sup 2} and annealed at 850 deg. C for several times in an RTA system in flowing N{sub 2}. TEM and SIMS analysis, in conjunction with a transient enhanced diffusion (TED) evaluation method based on the kick-out diffusion mechanism, have allowed us to accurately study the boron TED evolution in presence of extended defects. We show that the silicon surface plays a key role in the recombination of Si interstitial atoms by providing the first experimental evidence of the resulting Si{sub int}s supersaturation gradient between the defect region and the surface. Our results indicate an upper limit of about 200 nm for the surface recombination length of Si interstitials at 850 deg. C in a N{sub 2} ambient.
In this experiment, a Si wafer containing four lightly doped B marker layers epitaxially grown by CVD has been implanted with 100 keV Si"+ ions to a dose of 2 x 10"1"4 ions/cm"2 and annealed at 850 deg. C for several times in an RTA system in flowing N_2. TEM and SIMS analysis, in conjunction with a transient enhanced diffusion (TED) evaluation method based on the kick-out diffusion mechanism, have allowed us to accurately study the boron TED evolution in presence of extended defects. We show that the silicon surface plays a key role in the recombination of Si interstitial atoms by providing the first experimental evidence of the resulting Si_i_n_ts supersaturation gradient between the defect region and the surface. Our results indicate an upper limit of about 200 nm for the surface recombination length of Si interstitials at 850 deg. C in a N_2 ambient.
Determination of principal and impurity components in monocrystals of erbium and yttrium formates grown on the basis of high-pure formates from oriental primers, using the method of isothermal evaporation of the salt aqueous solutions with pH 4.4 - 4.5, is described. Er and Y were determined complexonometrically by the titration of the complex with arsenazo 1 by EDTA solution, and formate-ion was determined iodometrically. Impurities were analyzed by atomic-absorption and titrimetric methods. The atomic-absorption method permits to determine in the monocrystal from 1 x 10"-"4 to 5 x 10"-"3 % Mg at relative standard deviation S_r = 0.05; from 1 x 10"-"3 to 2.5 x 10"-"2 % Ca at S_r = 0.07 and from 2 x 0"-"4 to 5 x 10"-"3 % Pb ar S_r = 0.08.
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 refinement. It is found that the ...
The crystal structure and phonon densities of states (DOS) of #beta#'-SiAlON ceramics, Si_6_-_zAl_zO"zN_8_-_z (0 #<=# z #<=# 4), prepared by a novel slipcast method, are studied by neutron-scattering techniques. The samples with z < 4 form a single-phase solid solution of Si-Al-O-N isostructural to #beta#-Si_3N_4 (space group P6_3/m). A consistent preferential occupation of the 2c sites by oxygen atoms and the 6h sites by nitrogen atoms exists within this structure. The phonon DOS of #beta#'-SiAlON displays phonon bands at #approx#50 and 115 meV. These features are considerably broader than the corresponding ones in #beta#-Si_3N_4 powder.
The method of superposition of configurations was applied to the triplet sigma, pi, and delta states of HeH"+ which correlate to the separated atom states of principal quantum number less than or equal to 3. The calculations were done for internuclear separations, 0< or =R< or =65.5 a.u., on a mesh adequate for interpolation. Similar calculations on the singlet states have already been reported. The present calculations complete the accurate evaluation of the potential energy curves for this system which are required for low- and intermediate-energy collision studies. In addition to the energy eigenvalues and eigenfunctions, dipole, gradient, and radial coupling matrix elements were calculated for the sigma and pi states. Primarily, this paper presents information on the eigenvalues. The accuracy of the triplet-state calculations is comparable to that obtained for the singlet states. The similarities and differences in the pattern of avoided crossings for the ...
The localized Pt deposition on Si by 30 keV Ga"+ focused ion beam (FIB), 10 keV electron beam (EB) or dual beams (FIB and EB) using precursor gas has been compared by analysis using a 300 keV Be"2"+ microprobe with a beam spot size of 80 nm. The distribution of deposited Pt, Ga from the ion beam itself, and C from the precursor gas was obtained at and nearby the deposited areas by micro-RBS spectra and RBS mapping. All of the beam processed areas showed a uniform Pt distribution at the deposited areas. The amount of Pt atoms increased with the increase in ion or electron dose due to the decomposition of precursor gas. The thickness of Pt layer by EB is considerably less than that by FIB due to the reduced deposition rate. Ga atoms from the center of processed areas partly redeposited at and nearby the FIB processed areas within #approx#3 #mu#m. The Ga incorporation by dual beam processing was reduced compared with that by FIB processing. The ...
The results of experimental measurements and theoretical simulations of circular dichroism in the angular distribution (CDAD) of photoemission from atomic core levels of each of the enantiomers of a chiral molecule, alanine, adsorbed on Cu(1 1 0) are presented. Measurements in, and out of, substrate mirror planes allow one to distinguish the CDAD due to the chirality of the sample from that due to a chiral experimental geometry. For these studies of oriented chiral molecules, the CDAD is seen not only in photoemission from the molecular chiral centre, but also from other atoms which have chiral geometries as a result of the adsorption. The magnitude of the CDAD due to the sample chirality differs for different adsorption phases of alanine, and for different emission angles and energies, but is generally small compared with CDAD out of the substrate mirror planes which is largely unrelated to the molecular chirality. While similar measurements ...
Inert gas contamination, structure and mechanical properties of consolidated high-Ni alloy powder material were studied to improve its characteristics. In experiment, the chemical composition and fraction of porosity in cross sections of Alloy 625 powder were examined which was produced by Ar gas atomization method impinging supplemental gas jet onto accumulated alloy powder in the bottom of a tank for rapid cooling. The structure and mechanical properties of the alloy rod were also examined which was produced by hot hydrostatic pressing or hot extrusion of the powder filled into a capsule. As a result, although Ar content included in the powder produced by Ar gas atomization method decreased with reduction in grain size, the fine powder less than 22{mu}m still included Ar of nearly 0.5mass-ppm. Obvious correlation was found between the fraction of porosity in powder cross sections and Ar in the powder. Although cavities were detected in the ...
Although B-spline techniques have been used to solve two-point boundary value problems with Dirac Hamiltonians for more than 20 years, the treatment of boundary conditions is still a matter of controversy. Spurious, non-physical, solutions are endemic when boundary conditions are not handled correctly. These pathological problems are absent when traditional finite difference methods are used as in computer packages such as GRASP. Accurate approximation using both finite differences and B-splines depends on controlling local approximation errors, and this common property suggests no a priori reason to suppose that B-spline algorithms should be more prone to generate spurious solutions. The relativistic Bloch operators of [24], when added to the Dirac differential operator, permit the construction of a self-adjoint differential operator for the two-point boundary value problem on a finite interval. Approximate solution of this problem exploiting the properties of B-splines in variational ...
The two-phase annular regime is characterized by a high velocity gas stream flowing through the core of the tube surrounded by a thin, highly agitated liquid film flowing concurrently along the tube wall. Part of the liquid may be entrained as droplets in the gas phase. The specific goals of this study were to measure fully developed rates of interchange and entrained fraction over a wide range of flow variables in the upward configuration of the annular regime, to obtain a more fundamental understanding of liquid interchange phenomena via studies of liquid film characteristics and to develop an improved design correlation for the entrained fraction. Towards this end, air-water experiments were conducted in two vertical pipe lines, 2.54 and 4.20 cm in diameter. Air velocities ranging from 20 to 120 m/s and total liquid flow rates ranging from 10 to 100 g/s were investigated. Two models for the rate of atomization, proposed by Tatterson (1975) and Leman (1985), were ...
The atomic masses of the alkali-metal isotopes "6Li,"2"3Na,"3"9","4"1K,"8"5","8"7Rb, and "1"3"3Cs have been obtained from measurements of cyclotron frequency ratios of pairs of ions simultaneously trapped in a Penning trap. The results, with one standard deviation uncertainty, are: M("6Li)=6.015 122 887 4(16)u,M("2"3Na)=22.989769 282 8(26)u,M("3"9K)=38.963 706 485 6(52)u,M("4"1K)=40.961 825 257 4(48)u,M("8"5Rb)=84.911 789739(9)u,M("8"7Rb)=86.909 180 535(10)u, and M("1"3"3Cs)=132.905 451 963(13)u. Our mass of "6Li yields an improved neutron separation energy for "7Li of 7251.1014(45) keV.
We report a simple method for the label-free detection of double-stranded DNA using surface-enhanced Raman scattering (SERS). We prepared cetyltrimethylammonium bromide (CTAB)-capped silver nanoparticles and a DNA-nanoparticle complex by adding silver nanoparticles to {lambda}-DNA solutions. In the present study, the utilization of CTAB-capped silver nanoparticles facilitates the electrostatic interaction between DNA molecules and silver nanoparticles; at the same time, the introduction of DNA avoids adding aggregating agent for the formation of nanoparticle aggregates to obtain large enhancement of DNA, because the DNA acts as both the probe molecules and aggregating agent of Ag nanoparticles. Atomic force microscopy (AFM) studies show that the morphology of DNA-Ag nanoparticle complexes seems to be determined by the concentrations of the DNA and the nanoparticles. Surface-enhanced Raman scattering (SERS) studies show that the morphology of the complexes plays a ...
Research and development and other activities of the various constituent units of Department of Atomic Energy (DAE) and also of the institution aided by DAE for the year 2005-2006 are reported. The various constituents units of DAE consist of nuclear research centres, nuclear power stations, fuel reprocessing and heavy water plants, nuclear fuel fabrication facilities, electronic and instrumentation production organisations, atomic mineral processing units and other nuclear installations. The activities of DAE cover the whole gamut of nuclear fuel cycle, research and development in nuclear science and reactor technology, applications of radiation and radioisotopes, radiation protection, research and development in front line areas such as robotics, lasers, mathematics and computational sciences. International research collaborations like CERN-DAE collaboration were completed by BARC. These activities are described broadly under: executive ...
The Korea Atomic Energy Research Institute has launched a decommissioning program of uranium conversion plant. One of the important tasks in the decommissioning program is the treatment of the sludge, which was generated during operation and stored in the two ponds of the lagoon. The treatment requires the volume reduction of lagoon sludges for the low cost of the program and the conversion of the chemical forms, including uranium, for the acceptance at the final disposal site. The physical properties, such as densities, were measured and chemical compositions and radiological properties were analyzed. The denitration was a candidate process which would satisfy the requirements for sludge treatment, and the characteristics of thermal decomposition and dissolution with water were analyzed. The main compounds of the sludge were ammonium and sodium nitrate from conversion plant and calcium nitrate, calcium carbonate from Ca precipitation and impurities of the yellow ...
Tarapur Atomic Power Station Unit-4 was made critical on 6th March 2005. Since radiation field builds up with the power level due to formation of fission products and activation products in different systems. Radiation dose rates were recorded from different areas using Area Radiation Monitors (ARMs) installed at different areas. These monitors are connected to Radiation Data Acquisition System (RADAS). The trend of radiation field build-up was also analyzed by making survey of different plant areas at various power levels and comparison was made with RADAS readings. The results obtained were compared with 220 MWe dose rates. This study discusses about the dose rates observed at accessible area, shut down accessible area and hotspots observed during the early stage of operation of the reactor. The attempt was also made to find the contributing factors of the high dose rates. It was found that the finding of the study was utilized for the shielding augmentation. ...
Packages used for the storage and transportation of radioactive spent fuel must demonstrate the ability to withstand severe impact scenarios such as those established by the Atomic Energy Control Board (AECB) in Canada and the International Atomic Energy Agency (IAEA). One such package is the Dry Storage Container (DSC) for transporting and storing used fuel. The DSC model is comprised of several interactive components with materials such as high density concrete and polyurethane foam. To accurately model these materials, experimental studies were performed in order to provide material properties for the in-house finite element analysis code used. Structural assessments of the package design subject to postulated impact scenarios included a 9 meter center of gravity over corner drop, a 1 meter pin drop over the welded lid closure and a 1 meter center of gravity over lid pin drop. Simulations were carried out using full scale analytical models ...
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 water, and for treatment ...
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 bidentate.
A correlation investigation was carried out on the series of atomic coordinates (MPV) and temperature factor (T {sub f}), respectively for human hemoglobin and HIV-1 protease protein main chains. The MPV series revealed resemblances to the corresponding T {sub f} series. Each minor or major peak in a series had a corresponding peak in the related series. This brings a qualitative evidence for the connection of the two parameters. The series were further subjected to spectral and detrended fluctuation analysis which all revealed long-range correlation properties. This combined analysis revealed that the data were controlled both by the correlation of stationary fluctuation and trends or non-stationary contribution to correlation. The correlation of all MPV series was found to be much less sensitive to ligand binding than the corresponding T {sub f} series. Thus the long-range correlation properties of the protein main chain structure and mobility revealed two ...
A correlation investigation was carried out on the series of atomic coordinates (MPV) and temperature factor (T _f), respectively for human hemoglobin and HIV-1 protease protein main chains. The MPV series revealed resemblances to the corresponding T _f series. Each minor or major peak in a series had a corresponding peak in the related series. This brings a qualitative evidence for the connection of the two parameters. The series were further subjected to spectral and detrended fluctuation analysis which all revealed long-range correlation properties. This combined analysis revealed that the data were controlled both by the correlation of stationary fluctuation and trends or non-stationary contribution to correlation. The correlation of all MPV series was found to be much less sensitive to ligand binding than the corresponding T _f series. Thus the long-range correlation properties of the protein main chain structure and mobility revealed two complementary ...
Studies of destruction of very-high-n (100atoms in collisions with the polar targets HF and NH_3 are reported. Analysis of the data using the essentially-free-electron model suggests that, for ultralow electron energies (#approx#80 #mu#eV--1.4 meV), the cross section #sigma#(var-epsilon) for rotationally inelastic scattering of electrons by a polar target varies approximately as 1/var-epsilon, where var-epsilon is the electron energy.