International Nuclear Information System (INIS)

Bulk electronic properties and photoelectron spectra of UNiAl and UPdSn are discussed in terms of varying degree of the localization of 5f states. For UPdSn with #gamma#=5 mJ/mol K"2, localized 5f states can be expected, but photoemission shows still the presence of 5f states at E_F. (orig.).

International Nuclear Information System (INIS)

Hybrid density functionals, which replace a fraction of density functional theory (DFT) exchange with exact Hartree-Fock (HF) exchange, have been used to study the structural, magnetic, and electronic properties of #delta#-Pu. The fraction of exact Hartree-Fock exchange used were 25%, 40%, and 55%. Compared to the pure PBE functional, the lattice constants expanded with respect to the experimental value when the PBE-HF hybrid functionals were applied. For pure PBE and hybrid functionals with HF exchanges amounts of 25% and 40%, the ground state structure was anti-ferromagnetic, while for 55% HF contribution the ground state was non-magnetic. The 5f electrons tend to exhibit slight delocalization of itinerancy for the pure PBE functional and well-defined localization for the hybrid functionals, with the degree of 5f electron localization ...

International Nuclear Information System (INIS)

The electronic structure of UPd_3 has been determined by means of XPS and BIS experiments. The core level line shapes and the valence band spectra of occupied and empty states clearly reveal the localized character of the 5f electrons in this actinide compound. From these spectra their Coulomb correlation energy is found to be about 2 eV. (author).

Energy Technology Data Exchange (ETDEWEB)

The potential use of uranium in the field of catalysis is presented in the first part of this paper. Numerous applications of uranium binary oxides, as well as mixed oxides, are reviewed with a special emphasis on the role of U-Sb-O catalysts in selective oxidation (and ammoxidation) processes. Attempts are made to correlate the electronic structure of uranium, and especially the role that 5f electrons play in bonding, with its promising catalytic properties. In the second part, new data are given for uranium-bismuth mixed oxides in the catalytic oxidation of CO by O/sub 2/. Kinetic tests performed in a flow microreactor allow a mechanism to be proposed that involves the direct participation of lattice oxygen of the catalyst in the chemical process (redox mechanism). The high activity can be related to the ability of uranium to change reversibly its oxidation state.

International Nuclear Information System (INIS)

Many important advances in the physics of strongly correlated electron systems have been driven by the development of new materials: for instance the filled skutterudites MT4X12 (M=alkali metal, alkaline earth, lanthanide, or actinide; T=Fe, Ru, or Os; X=P, As, or Sb), certain lanthanide and actinide intermetallic compounds such as URu2-xRexSi2 and CeTIn5 (T=Co, Rh, or Ir), and layered oxypnictides and related materials. These types of complex multinary d- and f-electron compounds have proven to be a vast reservoir of novel strongly correlated electron ground states and phenomena. In these materials, the occurrence of such a wide range of ground states and phenomena arises from a delicate interplay between competing interactions that can be tuned by partial or complete substitution of one element for another, as well as the application of pressure, and magnetic fields, resulting in rich and complex electronic phase diagrams ...

International Nuclear Information System (INIS)

Observed 7-eV satellites in the XPS spectra of UGa_2 and other B-group compounds are shown to be due to two-hole final states as confirmed by existing Auger data. The presence of these satellites is an indication for a weak fd hybridization and, when compared to uranium--transition-metal compounds, increased 5f localization.

Energy Technology Data Exchange (ETDEWEB)

Many important advances in the physics of strongly correlated electron systems have been driven by the development of new materials: for instance the filled skutterudites MT{sub 4}X{sub 12} (M=alkali metal, alkaline earth, lanthanide, or actinide; T=Fe, Ru, or Os; X=P, As, or Sb), certain lanthanide and actinide intermetallic compounds such as URu{sub 2-x}Re{sub x}Si{sub 2} and CeTIn{sub 5} (T=Co, Rh, or Ir), and layered oxypnictides and related materials. These types of complex multinary d- and f-electron compounds have proven to be a vast reservoir of novel strongly correlated electron ground states and phenomena. In these materials, the occurrence of such a wide range of ground states and phenomena arises from a delicate interplay between competing interactions that can be tuned by partial or complete substitution of one element for another, as well as the application of pressure, and magnetic fields, resulting in rich ...

International Nuclear Information System (INIS)

We investigate a two-orbital Anderson lattice model with Ising orbital intersite exchange interactions on the basis of a dynamical mean field theory combined with the static mean field approximation of intersite orbital interactions. Focusing on Ce-based heavy-fermion compounds, we examine the orbital crossover between two orbital states, when the total f-electron number per site n_f is #approx#1. We show that a 'meta-orbital' transition, at which the occupancy of two orbitals changes steeply, occurs when the hybridization between the ground-state f-electron orbital and conduction electrons is smaller than that between the excited f-electron orbital and conduction electrons at low pressures. Near the meta-orbital critical end point, orbital fluctuations are enhanced and couple with charge fluctuations. A critical theory of meta-orbital fluctuations is also developed by applying the ...

Science.gov (United States)

Hydrogen molecule adsorption on the (0001) surface of double hexagonal closed packed americium has been studied in detail within the framework of density functional theory. Weak molecular hydrogen adsorptions were observed. The most stable configuration corresponded to a Hor2 approach molecular adsorption at the one-fold top site where the molecule's approach is perpendicular to a lattice vector. Adsorption energies and adsorption geometries for different adsorption sites will be discussed. The change in work functions, magnetic moments, partial charges inside muffin-tins, difference charge density distributions and density of states for the bare Am slab and the Am slab after adsorption of the hydrogen molecule will be discussed. Reaction barrier for the dissociation of hydrogen molecule will be presented. The implications of adsorption on Am 5f electron localization-delocalization will be summarized.

International Nuclear Information System (INIS)

The electronic structures of URh_3, UPd_3, UPt_3 and UAu_3 are calculated with the self-interaction-corrected local-spin-density approximation. We find that only in URh_3 the f-electrons are fully delocalized. UPt_3 has one f-electron localized at each U site, whilst a localized f"2 configuration of the U-ion is found for UPd_3. It is predicted that upon application of pressure, UPd_3 will acquire the f"1 configuration and possibly exhibit heavy-fermion behaviour. We find that UAu_3 is characterized by the same mixed localized-delocalized f-electron manifold as UPd_3. (author)

International Nuclear Information System (INIS)

The inverse susceptibilities of the monopnictides and monochalcogenides of the light rare earths plotted vs. temperature flatten off at high temperatures. This behaviour is well explained by van Vleck paramagnetism of the excited states of the multiplet. For almost all actinide pnictides and chalcogenides a similar flattening-off is observed. Since spin orbit coupling is much stronger than in the light rare earth compounds an analogous interpretation is not possible. Susceptibility curves for uranium compounds can be fitted by adding a temperature dependent enhanced Pauli paramagnetism to the Curie-Weiss term (modified Curie-Weiss law). The high temperature susceptibility behaviour of neptunium compounds is very similar to uranium compounds i.e. an appreciable deviation from the Curie-Weiss law is only visible for the chalcogenides. The plutonium chalcogenides show a temperature independent paramagnetism, which can be explained either by a model of mixed valency, ...

International Nuclear Information System (INIS)

On the basis of experimental and extrapolated values the physico-chemical properties of astatine are reviewed considering all oxidation states.

CERN Document Server

The Schmidt decomposition is an important tool in the study of quantum systems especially for the quantification of the entanglement of pure states. However, the Schmidt decomposition is only unique for bipartite pure states, and {\\it some} multipartite pure states. Here a generalized Schmidt decomposition is given for a class of mixed quantum states. It is shown that it shares some desirable properties with its pure-state counterpart, but lacks some properties which make the pure-state decomposition so important. Experimental methods for the identification of this class of mixed states are provided and some examples are discussed which show the utility of this description.

Energy Technology Data Exchange (ETDEWEB)

Algebraic properties of the analytical model, describing electro-magnetic weak interaction with the two-level system with two-fold degenerate state are considered. The expressions for the coherent states and Green function of the system are obtained.

International Nuclear Information System (INIS)

Ab initio total energy calculations within the framework of density functional theory have been performed for atomic hydrogen and oxygen chemisorption on the (0001) surface of double hexagonal packed (dhcp) americium using a full-potential all-electron linearized augmented plane wave plus local orbitals method. Chemisorption energies were optimized with respect to the distance of the adatom from the relaxed surface for three adsorption sites, namely top, bridge, and hollow hcp sites, the ad-layer structure corresponding to the coverage of a 0.25 monolayer in all cases. Chemisorption energies were computed at the scalar-relativistic level (no spin-orbit coupling NSOC) and at the fully relativistic level (with spin-orbit coupling SOC). The two-fold bridge adsorption site was found to be the most stable site for O at both the NSOC and SOC theoretical levels with chemisorption energies of 8.204 eV and 8.368 eV respectively, while the three-fold hollow hcp adsorption site was found to be ...

Energy Technology Data Exchange (ETDEWEB)

The implicit curve-fitting method has been used for fast and stable calculations of thermodynamic properties of subcritical refrigerants, and it has to use the saturated liquid or vapor state as the reference state. In order to extend the application range of this method in supercritical region, an isothermal state in the supercritical region is used as the reference state, and the implicit equations for supercritical refrigerants in this state and out of this state are established, respectively. The new calculation method can be used in the entire supercritical region. With the new method, thermodynamic properties of supercritical CO{sub 2} and R410A are predicted and compared with REFPROP 8. It shows that the total mean relative deviations of the fast calculation formulae from REFPROP 8 are less than 1%, while the mean ...

Science.gov (United States)

Geometrical structures and energetic properties for different tautomers of adenine are calculated in this study, using multi-configurational wave functions. Both the ground and the lowest singlet excited state potential energy surfaces are studied. Four t...

International Nuclear Information System (INIS)

1972. United States Narayanan, GH Archbold, TF Univ. of California Press.;

CERN Document Server

The hyperfine interactions at the uranium site in the antiferromagnetic USb2 compound were calculated within the density functional theory (DFT) employing augmented plane wave plus local orbital (APW+lo) method. We investigated the dependence of the nuclear quadruple interaction to the magnetic structure in USb2 compound. The result shows that the 5f-electrons have the tendency to be hybridized with the conduction electrons.

Energy Technology Data Exchange (ETDEWEB)

The state of lithium electrode surface after contact with triethylamine-modified propylene carbonate solutions of lithium perchlorate was studied using the pulse galvanostatic technique as well as methods of SIMS and electron microscopy. It was shown that amine added into the solutions stabilizes the state of lithium and prevents the formation of a secondary porous passive film on the lithium surface. Chemical composition of the primary film remains unchanged. Certain properties of passive films formed in electrolyte solutions studied were evaluated.

Energy Technology Data Exchange (ETDEWEB)

Critical properties of a fluid or fluid mixtures are important for describing fluid phase behavior, predicting physical properties, developing equations of state, and designing supercritical-fluid extraction processes, and compression and refrigeration units. The predictive capability of the Peng-Robinson-Styjek-Vera (PRSV-2) equation of state (1986) for critical properties of binary mixtures was investigated. The procedure adopted by Heidemann and Khalil (1980) and discussed by Abu-Eishah et al. (1998) was followed. An optimized value for the binary interaction parameter based on minimization of error between experimental and predicted critical temperatures was used. The standard and the average of the absolute relative deviations in critical properties are included. The predicted critical temperature and pressure for several nonpolar and polar systems agree ...

International Nuclear Information System (INIS)

Time-odd parton distribution functions in a Drell-Yan process are here studied by examining the evolution of the internal statistical properties of the interacting hadrons. Time-odd functions are shown to be a signature of the irreversible process in which a hadronic state characterized by long range correlation properties (hadronic phase) decays to produce a cloud of independent partons (partonic phase) because of initial/final state interactions. The relevant considered variable is the rate of increase of the entropy of the hadronic system. This quantity is shown to be roughly equal to the decay rate of the hadronic state. Conditions for getting a leading twist time-odd effect are established on this basis. Last, the relevant case of a large entropy increase associated with transverse-dominated initial/final state interactions is analyzed.

UK PubMed Central (United Kingdom)

A combined approach based on the use of ATR-FT/IR and steady-state fluorescence spectroscopy allowed to shed light on the effects of the additive methoxypolyethylene glycol (MePEG) on the hydration,...Full Text Available

International Nuclear Information System (INIS)

Using an ab initio pseudopotential method within a generalized gradient approximation of the density functional theory, the structural, electronic, and phonon properties of SrS in the B1 (NaCl) and B2 (CsCl) structures have been studied. The calculated lattice constants, static bulk modulus, and first-order pressure derivative of the bulk modulus are reported for both the B1 and B2 structures and compared with previous experimental and theoretical calculations. Electronic band structures and densities of states have been derived for SrS. Subsequently, a linear-response approach to the density functional theory is used to derive the phonon frequencies and densities of states.

CERN Document Server

The mean-field pictures based on the standard time-dependent variational approach have widely been used in the study of nonlinear many-boson systems such as the Bose-Hubbard model. The mean-field schemes relevant to Gutzwiller-like trial states $|F>$, number-preserving states $|\\xi >$ and Glauber-like trial states $|Z>$ are compared to evidence the specific properties of such schemes. After deriving the Hamiltonian picture relevant to $|Z>$ from that based on $|F>$, the latter is shown to exhibit a Poisson algebra equipped with a Weyl-Heisenberg subalgebra which preludes to the $|Z>$-based picture. Then states $|Z>$ are shown to be a superposition of $\\cal N$-boson states $|\\xi>$ and the similarities/differences of the $|Z>$-based and $|\\xi>$-based pictures are discussed. Finally, after proving that the simple, symmetric ...

British Library Electronic Table of Contents (United Kingdom)

The analysis of complex fluids such as crude oils, fuels, vegetable oils and mixed waste streams poses significant challenges arising primarily from the multiplicity of components, the different properties of the components (polarity, polarizability, etc.) and matrix properties. We have recently introduced an analytical strategy that simplifies many of these analyses, and provides the added potential of linking compositional information with physical property information. This aspect can be used to facilitate equation of state development for the complex fluids. In addition to chemical characterization, the approach provides the ability to calculate thermodynamic properties for such complex heterogeneous streams. The technique is based on the advanced distillation curve (ADC) metrology, wh...

International Nuclear Information System (INIS)

The magnon dispersion curve of Gd metal has been determined from first principles by use of augmented-plane-wave energy bands and wave functions. The exchange matrix elements I (k,k') between the 4f electrons and the conduction electrons from the first six energy bands were calculated under the assumption of an unscreened Coulomb interaction. The results are in good overall agreement with experiment provided the I (k,k') are diminished by a constant scale factor of about 2 which may be caused by screening.

International Nuclear Information System (INIS)

The properties of "1"7"7Ta and sup(181, 182, 187)Re states are discussed in the framework of the rotational model with the Coriolis coupling. The relations are obtained for calculating magnetic moments by this model in the jlK representation. The valent-nucleon spin polarization found on the basis of a comparison of the experimental values of magnetic moments with the calculated ones, is shown to depend on the number of nucleons of the same type.

International Nuclear Information System (INIS)

The optical properties of uranium monochalcogenides and monopnictides are discussed in terms of their electronic structure. A comparison is made with corresponding rare earth compounds. It is shown that there are close similarities to mixed valence CeN. the results support the occurrence of a dip in the density of d states near Esub(F), where the f density of states has its maximum. Empirical energy level schemes are derived which are found to agree with the existing information from XPS measurements and recent theories. (orig.).

International Nuclear Information System (INIS)

Within the tight binding framework, a study is made of how the disorder affects the electronic properties of A-15 compounds. In particular it is shown that for compounds of two transition metals in the A-15 structure, the vacancy formation affects the density of states only in the low energy region or in the high energy region, in opposition with the isolated chain model of Labbe and Friedel. It is concluded that interchain interactions are important. (U.K.).

Energy Technology Data Exchange (ETDEWEB)

Solid-state acoustic sensors for monitoring conditions at a surface immersed in a liquid and for monitoring concentrations of species in a liquid and for monitoring electrical properties of a liquid are formed by placing interdigital input and output transducers on a piezoelectric substrate and propagating acoustic plate modes therebetween. The deposition or removal of material on or from, respectively, a thin film in contact with the surface, or changes in the mechanical properties of a thin film in contact with the surface, or changes in the electrical characteristics of the solution, create perturbations in the velocity and attenuation of the acoustic plate modes as a function of these properties or changes in them.

International Nuclear Information System (INIS)

It is pointed out that a recently claimed result regarding the removal of sharp structure in the electronic density of states N(E) of A-15 superconducting compounds at T approximately equal to Tsub(c) was in fact, shown earlier by one of the present authors (M.N.M.). Merely the variation of N(E) with energy in the vicinity of the Fermi level in these materials cannot explain their anomalous normal state properties and high values of lambda and Tsub(c). Rather a non-varying N(E) accompanied by phonon softening is in better agreement with experiment. (author).

British Library Electronic Table of Contents (United Kingdom)

The molten salt reactor (MSR), which is one of the generation IV reactors, can meet the demand of transmutation and breeding. The thermodynamic properties of the molten salt system like LiF-NaF-BeF2 influence the design and construction of the fuel salt and coolant in the MSR for the new generation. In this paper, the equation of state of the ternary system 15%LiF-58%NaF-27%BeF2, over the temperature range from 873.15 to 1 073.15 K at one atmosphere pressure, is described using a modified Peng-Robinson (PR) equation. The densities of the ternary system and its components are estimated by this equation directly, and compared with the experimental data. Based on the equation of state, the other thermodynamic properties such as the enthalpy, entropy and heat capacity at constant pressure are ...

Science.gov (United States)

Radon-222 was shown to be useful in-situ tracer for studying thermodynamic, geologic, and transport properties of geothermal reservoirs. The relationships to reservoir properties are based on steady-state and non-steady-state models which incorporate the thermodynamic state and relative mobility of the fluids, and partitioning between the fluid phases. The steady-state thermodynamic models assume equilibrium between radon emanation from the reservoir rock and the geofluid concentration. The non-steady-state model solves the partial differential equations describing radon transport under transient two-phase geothermal flow conditions. Radon concentrations of fluids from nine geothermal reservoirs showed strong correlations to the specific volume of the reservoir fluid. Lowest values were associated with all-liquid wells at Cerro Prieto, ...

British Library Electronic Table of Contents (United Kingdom)

Abstract This study was undertaken over a 10-month period under environmental conditions within the state of Mato Grosso, Brazil, to evaluate the causes of variation in the technological and thermal properties of raw natural rubber (NR) from different clones of Hevea brasiliensis (GT 1, PR 255, FX 3864, and RRIM 600). These clones were chosen to represent good clones available in Brazil. The technological properties of raw NR were evaluated in terms of their dry rubber content (DRC), Wallace plasticity, plasticity retention index (PRI), and Mooney viscosity. The thermal performance was evaluated with the thermogravimetry (TG)/differential thermogravimetry (DTG) technique. There were significant variations (p < 0.01 and p < 0.05) between clones and tappings for all technological properties,...

International Nuclear Information System (INIS)

The self-consistent-pseudopotential method is applied to the A-15 compounds Nb_3Ge and Nb_3Al. The Fermi energy is found to lie in a region of very flat bands having a bonding character along the Nb chains. Comparison with the band structures of the (nonexistent) A-15 materials Nb_3Nb and Nb_3/sup asterisk/ (chains only) suggest that the p states on the Ge and Al atoms are instrumental in determining the position of the Fermi level. There is little evidence for rigid-band behavior in the Nb_3Al/sub x/Ge/sub 1-x/ system. Studies of the effects of chain dimerization in Nb_3Ge suggest that states at R and M are more likely candidates to participate in structural transitions than states at GAMMA or X.

CERN Document Server

Although hydrogen is the simplest of atoms, it does not form the simplest of solids or liquids. Quantum effects in these phases are considerable (a consequence of the light proton mass) and they have a demonstrable and often puzzling influence on many physical properties, including spatial order. To date, the structure of dense hydrogen remains experimentally elusive. Recent studies of the melting curve of hydrogen indicate that at high (but experimentally accessible) pressures, compressed hydrogen will adopt a liquid state, even at low temperatures. In reaching this phase, hydrogen is also projected to pass through an insulator-to-metal transition. This raises the possibility of new state of matter: a near ground-state liquid metal, and its ordered states in the quantum domain. Ordered quantum fluids are traditionally categorized as superconductors or superfluids; these respective ...

Energy Technology Data Exchange (ETDEWEB)

The properties of the triplet of low-lying states in {sup 101}Mo have been studied through spectroscopy of the {gamma} radation following thermal neutron capture in {sup 100}Mo and {beta}-decay of {sup 101}Nb and through a measurement of the proton angular distributions in the {sup 100}Mo(d, p) reaction with 14 MeV deuteron energy. The half-lives of the 13.5 keV state and the 57.0 keV 5/2{sup +} state have been measured as 226(7) and 133(7) ns, respectively. These values and the quadrupole/dipole mixing ratios of the 13.5 keV and 43.5 keV transitions yield spin and parity 3/2{sup +} for the 13.5 keV level. The E2 components in the 13.5 (3/2{sup +}->1/2{sup +}) and 43.5 keV (5/2{sup +}->3/2{sup +}) transitions are {le} 8x10{sup -4} and 54(9)%, respectively. The possibility of an additional state near to the 57.0 keV level is discussed. IBFM/PTQM calculations, taking into ...

Energy Technology Data Exchange (ETDEWEB)

We present a description of the ground state and low-lying excited states of two holes in the 4x4 cluster t-J model in terms of a simple model for the motion of a single bipolaron. The existence of short-range antiferromagnetic correlations has been assumed. According to the suggested scenario, the formation of the bipolaron is mediated by the reduction of the magnetic energy in the case of two holes occupying nearest neighbor sites. The relevant part of the Hilbert space consists of wave functions corresponding to holes oscillating around pairs of nearest neighbor sites and trapped in a potential well due to strings of spin defects. Virtual processes which connect these states involve both the kinetic term and the transverse part of the Heisenberg Hamiltonian. Many properties of energy level schemes obtained by numerical diagonalizations such as the sequence of the lowest states ...

CERN Document Server

We propose genuine ($k$, $m$)-threshold controlling schemes for controlled teleportation via multi-particle entangled states, where the teleportation of a quantum state from a sender (Alice) to a receiver (Bob) is under the control of $m$ supervisors such that $k$ ($k\\leq m$) or more of these supervisors can help Bob recover the transferred state. By construction, anyone of our quantum channels is a genuine multipartite entangled state of which any two parts are inseparable. Their properties are compared and contrasted with those of the well-known Greenberger-Horne-Zeilinger, W, and linear cluster states, and also several other genuine multipartite entangled states recently introduced in literature. We show that our schemes are secure against both Bob's dishonesty and supervisors' treacheries. For the latter case, the game theory is ...

Energy Technology Data Exchange (ETDEWEB)

In this systematic examination of some of the spectroscopic properties of the f-elements we deal with both the trivalent lanthanides and actinides. We summarize the present status of our energy level calculations in single crystal matrices and in aqueous solution, and compare the predicted crystal-field structure in certain low-symmetry sites with that observed. Some interesting new structural insights are thereby gained. The state eigenvectors from these calculations are then used in part in reassessing and interpreting the intensities of transitions in aqueous solution via the Judd-Ofelt theory. The parameters of this theory derived from fitting experimental data are compared with those computed from model considerations. Finally, we discuss some recent contributions to the interpretation of excited state relaxation processes in aqueous solution. 79 references, 23 figures, 17 tables.

International Nuclear Information System (INIS)

The coherent flucton model is applied to the description of some basic nuclear properties, such as: ground state energies, bond energies, nucleon momentum spectra, and nuclear density distributions. It is shown that the momentum distributions of the nucleons coincide with the Fermi distribution for small momenta and exhibit a well pronounced high energy ''tail'', thus providing inclusive reactions of pi-meson generations in kinematically forbidden areas at nucleon-nucleon collisions. Analytical expressions for the bond energy and nuclear density distribution are derived. An agreement with the experimentally obtained data is achieved. The model features are discussed referring to the processes, characterized mainly by the geometric and dynamic properties of the nuclei, as well as by nuclear density distribution. In particular, ion-ion scattering processes at high energy are considered.

International Nuclear Information System (INIS)

The fluorescence properties of protopine and allocryptopine in aqueous and organic environments are described for the first time. The fluorescence of alkaloids and their pH-dependent interconversion to cationic forms (transannular interaction) were studied using steady-state and time-resolved fluorescence techniques. For the analysis of tricyclic base and cis/trans tetracyclic cations of the alkaloids, NMR and X-ray crystallography were used. - Highlights: ? We describe fundamental fluorescence characteristics of alkaloids protopine and allocryptopine. ? We analyzed the pH-dependent transitions and cis/trans isomerization. ? These two alkaloids can be better distinguished by their fluorescence decay characteristics. ? The fluorescence parameters are related to the NMR and crystallographic structural data.

Energy Technology Data Exchange (ETDEWEB)

The solvation properties of a chlorine ion in small water clusters are investigated using state-of-the-art statistical mechanics. The simulations employ the polarizable water model developed recently by Dang [J. Chem. Phys. [bold 97], 2659 (1992)]. The ion--water interaction potentials are defined such that the successive binding energies for the ionic clusters, and the solvation enthalpy, bulk vertical binding energy, and structural properties of the aqueous solution agree with the best available results obtained from experiments. Simulated vertical electron binding energies of the ionic clusters Cl[sup [minus

Energy Technology Data Exchange (ETDEWEB)

A study was made of the variation in strength characteristics of group IV transition metal carbon nitrides alloyed with carbides or group V metal nitrides. A complex solid solution of titanium-niobium carbonitride was preliminarily synthesized to a homogeneous equilibrium state and then crushed. The calculated quantity of binder metal was added as elemental powders, the mixture was vibration ball milled in ethanol and the plasticized charge was used to press experimental specimens for mechanical testing. The studies showed that the high-temperature strength properties of the new cermet are superior to standard type KNT. The material is thus promising for use in the manufacture of tools. 8 references, 3 figures.

Energy Technology Data Exchange (ETDEWEB)

Properties of unique parity states in odd-proton (/sub 77/Ir, /sub 79/Au) and odd-neutron nuclei (/sub 78/Pt) are investigated in the framework of the interacting boson-fermion approximation model. The core (boson)-particle (fermion) interaction is represented by a quadrupole-quadrupole interaction and an exchange term, which takes into account the effects of the Pauli exclusion principle. The even-even core nucleus is described in terms of the IBA-1 hamiltonian. The change in the properties of the corresponding odd-A nuclei can be interpreted in terms of a transition of the core hamiltonian between the O(6) and SU(3) limiting cases.

Energy Technology Data Exchange (ETDEWEB)

Creep properties of modified 9 Cr-1 Mo steel, an alloy significantly improved in elevated-temperature strength over 2 1/4 Cr-1 Mo and other similar alloys, are presented here. Data are primarily on material in the normalized and tempered condition. Effects of variables such as isothermal annealing treatment, cold work, normalizing temperature, tempering temperature, notch, and biaxial stress state have also been examined. Data analysis and comparisons have shown that modified 9 Cr-1 Mo alloy is very insensitive in response to several material variables, heat treatments, and specimen design variables.

Energy Technology Data Exchange (ETDEWEB)

Thermodynamic states encountered during combustion of Aluminum powder in Shock-Dispersed-Fuel (SDF) explosions were analyzed with the Cheetah code. Results are displayed in the Le Chatelier diagram: the locus of states of specific internal energy versus temperature. Accuracy of the results was confirmed by comparing the fuel and products curves with the heats of detonation and combustion, and species composition as measured in bomb calorimeter experiments. Results were fit with analytic functions u = f(T) suitable for specifying the thermodynamic properties required for gas-dynamic models of combustion in explosions.

Energy Technology Data Exchange (ETDEWEB)

An equation of state of neutron star matter with strange baryons has been obtained. The effects of the strength of hyperon-hyperon interactions on the equations of state constructed for the chosen parameter sets have been analysed. Numerous neutron star models show that the appearance of hyperons is connected with the increasing density in neutron star interiors. The performed calculations have indicated that a change of the hyperon-hyperon coupling constants affects the chemical composition of a neutron star. The obtained numerical hyperon star models exclude a large population of strange baryons in the star interior.

Science.gov (United States)

Tb3+-activated Sr3AlO4F phosphors were synthesized by a high-temperature solid-state reaction method. The investigation of photoluminescence and cathodoluminescence indicates that these phosphors can be effectively excited by ultraviolet light and low-voltage electron beam. The phosphors exhibit a tunable-green emission. The luminescence behaviors are explained by the site occupancy of Tb3+ ions in the host crystal and the cross-relaxation of 5D3 to 5D4 state.

Energy Technology Data Exchange (ETDEWEB)

A gelcasting composition has improved drying behavior, machinability and shelf life in the dried and unfired state. The composition includes an inorganic powder, solvent, monomer system soluble in the solvent, an initiator system for polymerizing the monomer system, and a plasticizer soluble in the solvent. Dispersants and other processing aides to control slurry properties can be added. The plasticizer imparts an ability to dry thick section parts, to store samples in the dried state without cracking under conditions of varying relative humidity, and to machine dry gelcast parts without cracking or chipping. A method of making gelcast parts is also disclosed.

Energy Technology Data Exchange (ETDEWEB)

The structure of the low-lying levels of the [sup 91]Zr nucleus is discussed in a framework of the cluster-phonon coupling model. In order to describe simultaneously positive- and negative-parity states, octupole as well as quadrupole vibrations of the [sup 88]Sr core are allowed. The cluster states include two single protons coupled to a single neutron. The residual interaction among the cluster particles is assumed to be the modified surface [delta] interaction. Energy levels and electromagnetic properties are calculated and compared with the experimental data.

International Nuclear Information System (INIS)

Neutron diffraction and magnetometric measurements on polycrystalline samples of DyPd_2Si_2 and ErPd_2Si_2 were carried out in the temperature range from 2 to 293 K. Both compounds show tetragonal ThCr_2Si_2 type crystal structure and order at 12 K in a sine modulated magnetic structure with propagation vectors k=[0.609,0,0.155] and [0.575, 0, 0.083] respectively. The oscillatory character of magnetic order found in RPd_2Si_2 (R=Tb-Er) compounds suggests exchange interaction described by the RKKY model to be dominant, but the non-monotonic dependence of respective Neel temperatures on the number of f-electrons indicates the influence of a crystalline electric field (CEF) on the magnetic behaviour in this series. (orig.).

CERN Document Server

The hyperfine interactions at the uranium site in the antiferromagnetic USb2 compound were calculated within the density functional theory (DFT) employing the augmented plane wave plus local orbital (APW+lo) method. We investigated the dependence of the nuclear quadruple interactions to the magnetic structure in USb2 compound. The investigation were performed applying the so called band correlated LDA+U theory self consistently. The self consistent LDA+U calculations were gradually added to the performed generalized gradient approximation (GGA) including scalar relativistic spin orbit interactions in a second variation scheme. The result, which is in agreement with experiment, shows that the 5f-electrons have the tendency to be hybridized with the conduction electrons in the ferromagnetic uranium planes.

International Nuclear Information System (INIS)

The electronic structure and optical properties in tetragonal ceramics PbTiO_3, are studied by using full-potential linearized augmented plane wave method in density functional theory with the generalized gradient approximation by WIEN2K package. The theoretical calculated optical properties and energy loss spectrum yield a static refractive index of 2.59 and a plasmon energy of 22.7eV for the tetragonal phase. The effective electron number at low energy saturates near 22-23eV with the value of 50 for the effective electron number. The results show a indirect band gap of 2.2eV at the I' point in the Brillouin zone. The :calculated band structure and density of states of PbTiO_3 agree with previous experimental and theoretical results.

Energy Technology Data Exchange (ETDEWEB)

Organic/metal interface properties are of high interest for the application of molecular (sub)monolayers to modify surface properties. They are applied for, e.g., molecular electronics, chemical sensing, or the tuning of injection barriers in organic electronic devices. We present a joint theoretical and experimental study of F{sub 4}TCNQ adsorbed on Cu(111). The electronic and structural properties were determined by ultraviolet photoelectron spectroscopy (UPS) and X-ray standing wave (XSW) measurements. To better understand the complex process of binding, we modelled the system using density-functional theory. We find forward-donation from the lone pairs of the molecule into metallic states and back-donation from the metal into the LUMO of the molecule. The data on Cu(111) are compared to F4TCNQ on Au(111) and Ag(111) as well as to investigations of pyrenetetraone on various coinage metals.

British Library Electronic Table of Contents (United Kingdom)

Product-sum property states that an ordered pair (s"n,p"n) is unique for any ordered set a"1,a"2,...,a"n where a"i,n@?N, and s"n and p"n are the sum and product of the elements of the set, respectively. This fact has been exploited to develop an O(log(M)) time complexity algorithm for pattern searching in a large dataset, where M is the number of records in the dataset. Two potential applications (from databases and computational biology) of this property have been demonstrated to show the effectiveness and working of the proposed algorithm. The space complexity of the algorithm rises to the quadratic order.

International Nuclear Information System (INIS)

We have calculated the electronic structure of Eu for the bcc, hcp, and fcc crystal structures for volumes near equilibrium up to a calculated 90 GPa pressure using the augmented-plane-wave method in the local-density approximation. The frozen-core approximation was used with a semi-empirical shift of the f-states energies in the radial Schroedinger equation to move the occupied 4f valence states below the #GAMMA#_1 energy and into the core. This shift of the highly localized f-states yields the correct europium phase ordering with lattice parameters and bulk moduli in good agreement with experimental data. The calculated superconductivity properties under pressure for the bcc and hcp structures are also found to agree with and follow a T_c trend similar to recent measurement by Debessai et al.

British Library Electronic Table of Contents (United Kingdom)

A superhydrophobic SiO2/nylon 6,6 nanocomposite coating was fabricated by a facile casting process. Compared with the intrinsically hydrophilic pure nylon 6,6, the as-prepared coating displayed a superhydrophobic property in the pH range from 1 to 14. It was also found that the resulting water contact angles of the as-prepared surface were always larger than 159?, but the sliding angles had an obvious decrease from about 33.4??1? as the content of SiO2 nanoparticles increased. In addition, a transition from the transitional superhydrophobic state between Wenzel?s and Cassie?s state to the Cassie?s state was observed.

UK PubMed Central (United Kingdom)

When high-purity copper (≥99.98%_wt) is melted, held in its liquid state for a few hours with iterative thermal cycling, then allowed to resolidify, the ingot surface is found to have...Full Text Available

International Nuclear Information System (INIS)

The influence of heat treatment on the structure, mechanical properties and fracture peculiarities of high-strength (#alpha#+#beta#)-titanium alloy VT22 has been studied. It is ascertained that thermal cycling and subsequent high-temperature aging permit to reduce considerably crack growth rate. Thermal cycling is realized in the following mode: heating in #beta#-region, cooling and allowance in (#alpha#+#beta#)-region, heating in #beta#-region.

CERN Document Server

We provide an analytic study of the dynamics of semiconductor lasers with injection (pump) of spin-polarized electrons, previously considered in the steady-state regime. Using complementary approaches of quasi-static and small signal analyses, we elucidate how the spin modulation in semiconductor lasers can improve performance, as compared to the conventional (spin-unpolarized) counterparts. We reveal that the spin-polarized injection can lead to an enhanced bandwidth and desirable switching properties of spin-lasers.

CERN Document Server

A Multi-Channel Algebraic Scattering (MCAS) theory is presented with which the properties of a compound nucleus are found from a coupled-channel problem. The method defines both the bound states and resonances of the compound nucleus, even if the compound nucleus is particle unstable. All resonances of the system are found no matter how weak and/or narrow. Spectra of mass-7 nuclei and of {}^{15}F, and MCAS results for a radiative capture cross section are presented.

Energy Technology Data Exchange (ETDEWEB)

The enhancement of longitudinal heat transfer by means of fluid pulsation in a pipe has been investigated analytically and numerically, including the transient state. The effects of pulsation amplitude, frequency, and pipe length on thermal properties such as effective thermal diffusivity and delay time are clarified. Their effects on numerical calculations are also presented and suggestions for efficient numerical calculations of this problem are made concerning the combination of parameters.

Energy Technology Data Exchange (ETDEWEB)

This thesis deals with the special electronic properties of the transition-metal aluminides. Following quasicrystals and their approximants it is shown that even materials with small elementary cells exhibit the same surprising effects. So among the transition-metal aluminides also semi-metallic and semiconducting compounds exist, although if they consist of classic-metallic components like Fe, Al, or Cr. These properties are furthermore coupled with a deep pseusogap respectively gap in the density of states and strongly covalent bonds. Bonds are described in this thesis by two eseential properties. First by the bond charge and second by the energetic effect of the bond. It results that in the caes of semiconducting transition-metal aluminides both a saturation of certain bonds and a bond-antibond alteration in the Fermi level is present. By the analysis of the near-order in form of the so-calles ...

International Nuclear Information System (INIS)

The static thermophysical properties of the molten salt system like LiF-NaF-BeF_2 influence the design and construction of the fuel salt and coolant in the Molten Salt Reactor for the new generation. In this paper, the equation of state of the ternary system 0.15LiF-0.58NaF-0.27BeF_2, over the temperature range from 873.15K to 1073.15K at one atmosphere pressure, is described by using modified Peng-Robinson equation. The density of the ternary system is evaluated by this equation directly, and compared with the experimental data. Base on the equation of state, the other static thermophysical properties such as the enthalpy, entropy and heat capacity at constant pressure are evaluated by the fugacity coefficient and residual function methods respectively. The density calculated by Peng-Robinson equation is in highly agreement with the experimental data, and the enthalpy, entropy and heat capacity ...

Science.gov (United States)

The static thermophysical properties of the molten salt system like LiF-NaF-BeF2 influence the design and construction of the fuel salt and coolant in the Molten Salt Reactor for the new generation. In this paper, the equation of state of the ternary system 0.15LiF-0.58NaF-0.27BeF2, over the temperature range from 873.15K to 1073.15K at one atmosphere pressure, is described by using modified Peng-Robinson equation. The density of the ternary system is evaluated by this equation directly, and compared with the experimental data. Base on the equation of state, the other static thermophysical properties such as the enthalpy, entropy and heat capacity at constant pressure are evaluated by the fugacity coefficient and residual function methods respectively. The density calculated by Peng-Robinson equation is in highly agreement with the experimental data, and the enthalpy, entropy and heat capacity evaluated ...

Energy Technology Data Exchange (ETDEWEB)

Mining lakes are of a world-wide challenging problem caused by the well known acid mine drainage (AMD) and the dynamics of it. In the past, there was no possibility to monitor these mining lakes for an investigation of chemical and biological parameters. But, in general, remote sensing methods are suitable for a monitoring of natural lakes, and now, at the first time, those can be used for a distinction of acid mining lakes in central Germany into different types. In acid mining lakes unusual absorption and scattering properties exist due to the water constituents which are quite different in their optical properties to those of natural lakes. The artificial lakes show high concentrations of metal ions and compounds. This fact was used to discriminate the mining lakes into initial stage, early stage, transitional state and late state. The result is a map of the area where the mining lakes are presented ...

International Nuclear Information System (INIS)

The A-15 compounds are known to favor the occurrence of high temperature superconductivity (transition temperature T/sub c/ > 15K). The origin of superconductivity in these metals is a subject of much controversy and importance. A useful approach to this problem is to study comparatively the superconducting and normal-state properties of the A-15 superconductors and their amorphous counterparts. Efforts along these lines have yielded some insight into the mechanisms responsible for high temperature superconductivity. It is interesting to note that most high-T/sub c/ A-15 compounds contain one glass-forming element such as Ge, Si or Al and are thus conducive to the formation of a non-crystalline phase. The amorphous (or higher disordered) state of the A-15 compounds can be achieved, for example, by one of the following techniques: (1) sputtering or co-evaporation onto substrates held at relatively low temperatures; (2) ...

Energy Technology Data Exchange (ETDEWEB)

This project has been concerned with the understanding of certain key physical and physical chemical properties of polymeric systems which are related to their use as working substances in mechanochemical systems. Since the crystal-liquid phase transition is involved in the process of interest, attention has been focused on this transition and on the properties of semi-crystalline polymers. Two kinds of behavior and properties have been studied in this program. One of these is concerned with melting-crystallization under an applied external force. Here the primary matters of concern are the equilibrium melting temperature-stress relations and the associated problem of crystallization kinetics under an applied external stress. The other area of study involves mechanical properties, with particular emphasis on the influence of the morphological and structural variables which describe the semi-crystalline ...

Energy Technology Data Exchange (ETDEWEB)

In the production of heavy-sectioned ferritic spheroidal graphite iron castings for such parts as spent fuel shipping container (cask), undesirable structures like abnormal graphite lamella, pearlite or so-called chinese script type of inclusions tend to appear, deteriorating the mechanical properties at the central part of the section where molten iron freezes last. 500 mm thick cylindrical vessels with bottom, weighing 18 tons and 33 tons, were poured as trial products of casks. Solidification structure and mechanical properties were examined at many portions of the castings. By controlling chemical composition, solidification time and inoculation process the structure and the mechanical properties in the last portion of the section to solidify were improved. Sufficiently homogeneous heavy-sectioned ferritic spheroidal graphite iron castings were successfully produced in the as-cast state. In ...

CERN Document Server

We improve the steady-state ab initio laser theory (SALT) of Tureci et al. by expressing its fundamental self-consistent equation in a basis set of threshold constant flux states that contains the exact threshold lasing mode. For cavities with non-uniform index and/or non-uniform gain, the new basis set allows the steady-state lasing properties to be computed with much greater efficiency. This formulation of the SALT can be solved in the single-pole approximation, which gives the intensities and thresholds, including the effects of nonlinear hole-burning interactions to all orders, with negligible computational effort. The approximation yields a number of analytic predictions, including a "gain-clamping" transition at which strong modal interactions suppress all higher modes. We show that the single-pole approximation agrees well with exact SALT calculations, particularly for high-Q cavities. Within ...

International Nuclear Information System (INIS)

The frequency dependence of the tunneling spectrum #alpha#"2F (#omega#) is analyzed in terms of electron pairing induced by exchange of acoustic plasmons in addition to the usual phonon-exchange mechanism. Analytic expressions are obtained for the electron self-energy, the tunneling function #alpha#"2F, and the electron pairing coupling lambda which determines the superconducting properties. The resulting theory is applied to recent tunneling data of Nb_3Sn in order to examine the anomalous discrepancies with the phonon density of states found by neutron scattering experiments. The results demonstrate how the high-temperature (T/sub c/ approx. 20 "0K) superconducting properties of A-15 compounds are enhanced by acoustic-plasmon contributions, and thus they reconcile these high transition temperatures with the relatively small values of the phonon part of lambda estimated from several independent experiments.

British Library Electronic Table of Contents (United Kingdom)

Based on the corrected phase diagrams proper growth conditions for Li2Zn2(MoO4)3 crystals are selected. Large crystals (up to 100 mm), both impurity-free and activated by transition metal ions (Cu, Cr), are grown by the low-gradient Czochralski method. By the EPR method the charge state and structural position of copper and chromium ions are determined. The performed studies of luminescent properties show that for impurity-free crystals luminescence with ? = 388 nm with a two-exponential luminescence decay with ?1 = 2 ns and ?2 = 6 ns is observed at room temperature. At 77 K for both impurity-free crystals and those activated with transition metal ions luminescence with ? = 560 nm and the luminescence lifetime ? = 100 ns is observed, the intensity of luminescence with ? = 560 nm depending ...

Energy Technology Data Exchange (ETDEWEB)

The spectroscopic properties of Cr{sup 2+}, Co{sup 2+}, and Ni{sup 2+}-doped single crystals of ZnS, ZnSe, and ZnTe have been investigated to understand their potential application as mid-IR tunable solid-state laser media. The spectroscopy indicated divalent Cr was the most favorable candidate for efficient room temperature lasing, and accordingly, a laser-pumped laser demonstration of Cr:ZnS and Cr:ZnSe has been performed. The lasers` output were peaked at {approximately} 2.35 {mu}m and the highest measured slope efficiencies were {approximately} 20% in both cases.

Energy Technology Data Exchange (ETDEWEB)

Photocurrent and capacitance measurements of semiconductor passive films formed on metals and alloys can be used to study the electronic properties and reveal indirect information about structure and composition. The current work used these techniques to investigate the electronic properties of the passive films formed on three austenitic stainless steels, types 304L, 316L and 254SMO, in borate. Evidence was found for the existence of a large number of localised mid bandgap states, consistent with amorphous oxides. However, the flat-band potentials of the austenitic stainless steel passive films were found to be independent of both composition and measuring frequency. The most credible explanation for the bandgap values determined from photocurrent measurements is that the passive films are formed as dual layers, iron oxide outer layer and chromium oxide inner layer. This model does not need to evoke the potential dependent ...

Energy Technology Data Exchange (ETDEWEB)

To represent a heterogeneous unsaturated fractured rock by its homogeneous equivalent, Monte Carlo simulations are used to obtain upscaled (effective) flow properties. In this study, we present a numerical procedure for upscaling the van Genuchten parameters of unsaturated fractured rocks by conducting Monte Carlo simulations of the unsaturated flow in a domain under gravity-dominated regime. The simulation domain can be chosen as the scale of block size in the field-scale modeling. The effective conductivity is computed from the steady-state flux at the lower boundary and plotted as a function of the averaging pressure head or saturation over the domain. The scatter plot is then fitted using van Genuchten model and three parameters, i.e., the saturated conductivity K{sub s}, the air-entry parameter {alpha}, the pore-size distribution parameter n, corresponding to this model are considered as the effective K{sub s}, effective {alpha}, and ...

Energy Technology Data Exchange (ETDEWEB)

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 ...

International Nuclear Information System (INIS)

Isotropic Compton profiles of TaC and TaN have been measured for the first time, at an intermediate resolution, using 662 keV #gamma#-radiation. Energy bands, density of states and Fermi surface topology of TaC and TaN have been computed using linear combination of atomic orbitals with density functional theory and full potential linearised augmented plane wave method. Both band structure calculations predict the metallic character of TaC and TaN. The electron momentum densities calculated using various approaches of density functional theory are compared with the present measurements. On the basis of Mulliken's population, it is also seen that TaC has more covalent bonding than TaN. The optical properties computed using full potential linearised augmented plane wave method are explained in terms of intraband transitions.

Energy Technology Data Exchange (ETDEWEB)

This paper presents the results of the dynamic response analysis of the pipe-restraints system by the general purpose finite element program ADINA. The analysis was carried out for the pipe whip tests performed under the PWR-LOCA conditions using 4-in. test pipe. In the analysis, the test pipe was modeled by an assemblage of the beam elements with the isotropic elastic-plastic material properties and the restraints were represented by the truss elements with the nonlinear elastic material properties including gap effect. The following results are obtained through the analysis. (1) Pipe can be modeled with the beam elements, when the overhang length is short and, therefore, the flattening of a cross-section of pipe is small. (2) The steady state restraint force can be predicted by modeling the restraints with the truss elements.

Energy Technology Data Exchange (ETDEWEB)

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.

CERN Document Server

The emergence of nanoscience has increased the importance of experiments able to probe the very local structure of materials, especially for disordered and heterogeneous systems. This is technologically important; for example, the nanoscale structure of glassy polymers has a direct correlation with their macroscopic physical properties. We have discovered how a local, high frequency dynamic process can be used to monitor and even predict macroscopic behavior in glassy polymers. Polyvinylethylenes vitrified by different chemical and thermodynamic pathways exhibit different densities in the glassy state. We find that the rate and amplitude of a high frequency relaxation mode (the Johari-Goldstein process involving local motion of segments of the chain backbone) can either correlate or anti-correlate with the density. This implies that neither the unoccupied (free) volume nor the configurational entropy governs the local dynamics in any general ...

Energy Technology Data Exchange (ETDEWEB)

A study was made of the uncoupling action of polychlorinated biphenyls (Kanechlor-400) on oxidative phosphorylation in rat liver mitochondria. Kanechlor-400 (KC-400) at 20 ..mu..g/ml stimulated state 4 respiration of rat liver mitochondria more than 4-fold with ..cap alpha..-ketoglutarate/malate as a substrate, and released the oligomycin-inhibited state 3 respiration. KC-400 also dissipated the membrane potential across the mitochondrial membranes; thus, it acts as an uncoupler of oxidative phosphorylation in rat liver mitochondria. KC-400 altered the permeability properties of mitochondrial membranes as evidenced by the release of endogenous K/sup +/ and the oxidation of exogenously supplied NADH. It is concluded that KC-400 produces a nonspecific increase in mitochondrial ion permeability, thereby dissipating membrane potential, which leads to the uncoupling.

Energy Technology Data Exchange (ETDEWEB)

This report is submitted to Congress by the Secretary of the Air Force, the Secretary of the Navy, and the Secretary of the Interior pursuant to Section 6 of the Military Lands Withdrawal Act of 1986. It contains an analysis and evaluation of the effects on public health and safety resulting from DOD and Department of Energy (DOE) military and defense-related uses on withdrawn public lands in the State of Nevada and in airspace overlying the State. This report describes the cumulative impacts of those activities on public and private property in Nevada and on plants, fish and wildlife, cultural, historic, scientific, recreational, wilderness and other resources of the public lands of Nevada. An analysis and evaluation of possible measures to mitigate the cumulative effects of the withdrawal of lands and the use of airspace in Nevada for defense-related purposes was conducted, and those considered practical are listed.

Energy Technology Data Exchange (ETDEWEB)

We consider the dynamics towards the initial singularity of Bianchi type IX vacuum and orthogonal perfect fluid models with a linear equation of state. Surprisingly few facts are known about the 'Mixmaster' dynamics of these models, while at the same time most of the commonly held beliefs are rather vague. In this paper, we use Mixmaster facts as a base to build an infrastructure that makes it possible to sharpen the main Mixmaster beliefs. We formulate explicit conjectures concerning (i) the past asymptotic states of type IX solutions and (ii) the relevance of the Mixmaster/Kasner map for generic past asymptotic dynamics. The evidence for the conjectures is based on a study of the stochastic properties of this map in conjunction with dynamical systems techniques. We use a dynamical systems formulation, since this approach has so far been the only successful path to obtain theorems, but we also make ...

British Library Electronic Table of Contents (United Kingdom)

The present study was designed with an aim to analyze the effect of acute aluminium phosphide (ALP) exposure (10mg/kg b.wt, intragastrically) on the kinetic characteristics of cytochrome oxidase and energy metabolism in male Wistar rat liver mitochondria. Liver mitochondrial preparations from ALP-treated rats exhibited significant decrease (66%) in the activity of cytochrome oxidase suggesting that there was a decrease in the catalytic efficiency of the active oxidase molecules on ALP treatment. The decreased activity of cytochrome oxidase with altered NADH and succinic dehydrogenase activities might have contributed towards a significant decline in state 3 and state 4 respiration as observed. These alterations in the electron transport chain complexes in turn adversely affected the ATP sy...

Science.gov (United States)

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.

International Nuclear Information System (INIS)

Electronic energy bands of LaH"2 and NdH"2 have been calculated by the composite-wave variational version of the augmented plane wave method. Crystal potentials for both the hydrides were constructed by the superposition of the atomic potentials of Herman and Skillman. From the band structure data, density of states, joint density of states, optical absorption spectra and Fermi surfaces of these two hydrides have been calculated. The results of the optical studies have been successfully compared with the experimental results of Weaver et al. From the theoretical point of view the present results for LaH"2 have been satisfactorily compared with the results of Gupta et al. Since no theoretical calculation exists for ndH"2, theoretical comparison, in this case, was not possible for NdH"2. (author).

Energy Technology Data Exchange (ETDEWEB)

The effects of antimony addition on the microstructures and creep behavior of AZ31 have been studied. Constant load creep tests were carried out at 200 C and an initial stress of 50MPa for AZ31 alloys containing antimony up to 0.84% by weight. Results show that Small additions of antimony to AZ31 effectively decreased the creep extension and steady state creep rates. The steady state creep rate of AZ31 was reduced 2.5 times by the addition of 0.84% of antimony by weight. The main reason for the higher creep resistance is due to the presence of high volume fraction ({proportional_to} 20%) of second phases including Mg{sub 3}Sb{sub 2}, which effectively hindered the movement of dislocations during the elevated temperature creep. (orig.)

International Nuclear Information System (INIS)

Hyperspherical-harmonics method to investigate the lightest nuclei having three-cluster structure is discussed together with recent experiments. Properties of bound states and methods to explore three-body continuum are presented. The challenges created by large neutron excess and halo phenomena are highlighted. Astrophysical aspects of the "7Li + n "#-># "8Li + #gamma# reaction and the solar-boron-neutrinos problem are analyzed. Three-cluster structure of highly excited states in "8Be is shown to be responsible for extreme isospin mixing. Progress in studies of "6He- and "1"1Li-induced inclusive and exclusive nuclear reactions is demonstrated, providing information on the nature of continuum structures of Borromean nuclei.

International Nuclear Information System (INIS)

The purpose of the present study is to develop a new method for chemical state analysis by means of EPMA(Electron probe microanalyser). The measured X-ray intensity of Si-K#beta# characteristic X-ray spectra were read-out by a 16 bit microcomputer with a RS-232C interface. And using the curve fitting method the quantitative analysis of chemical compositions in a ternary compound that constituted of the same element has been established. The present method was applied to analyse of the friction and wear properties of Si-base ceramics sliding materials. It was found that the wear debris contains both the compositions of the sliding materials and SiO_2, and the SiO_2 contents in wear debris was changed with relative humidity. The results clearly showed that the proposed method is very useful for determing the compositions in the ternary compound. (author).

International Nuclear Information System (INIS)

The fundamental optical properties of dysprosium (Dy) doped strontium sulfide bulk samples for various dopant concentrations from 0.1 to 1.0 at.% were investigated by X-ray diffraction (XRD), electron paramagnetic resonance spectroscopy (EPR), room temperature photoluminescence (PL), photoluminescence excitation (PLE) and diffuse reflectance spectroscopy (DRS). Investigations by electron paramagnetic resonance yielded the state of Dy in the sample as Dy3+. An additional ESR line due to F+ center was observed. The PL emission spectrum consisted of several intense lines and a number of weaker ones which were identified as transitions between energy levels of Dy3+. The optimum doping concentration for maximum intensity was found to be 0.25 at.%. Blue shift of the absorption edge energy and red shift of the PLE spectrum were observed with increasing doping concentration. The former is due to Burstein-Moss (BM) effect and the latter is attributed ...

British Library Electronic Table of Contents (United Kingdom)

This work is concentrated on growth, spectroscopy and laser performance of thulium-doped vanadate crystals. At the beginning the growth techniques are analyzed and then the matrix of vanadates crystal, its structure and physicochemical properties are explained together with the rare earth activators influence. Detailed spectroscopy of the thulium-doped vanadate crystals then follows. On the background of this theoretical analysis and state of the art of the subject the description of thulium vanadate lasers (especially Tm:YVO"4, Tm:GdVO"4, and Tm:LuVO"4) together with their generated output radiation characteristics are presented.

Energy Technology Data Exchange (ETDEWEB)

Strains in multivalley semiconductors can destroy the strict equivalence of the valleys that is demanded by cubic symmetry. Significant changes in the properties of a semiconductor may result. A proposed implementation of quantum computing with donor atoms in silicon would suffer from alterations of the donor wave functions caused by strains that are produced by fabrication processes. Deliberately straining the silicon to an extent that removed all but one valley from participation in the lowest donor state, would prevent further changes in the wave function by strain. The strain required can be achieved with established technology for depositing silicon on SiGe alloys. (author)

International Nuclear Information System (INIS)

The effect of heat transfer is described from heat exchange tubes of a horizontal steam generator on the distribution of primary water to the individual tubes of the tube bundle. It is shown that in a broad interval of mass flow rates and lengths of heat exchange tubes, the simplified method of calcualtion, i.e., calculation of the distribution of primary water into heat exchange tubes neqlecting the changes of physical properties of water along the heat exchange tubes, will yield sufficiently accurate results. (author).

CERN Document Server

We construct representation of the Separated Variables (SoV) for the quantum SL(2,R) Heisenberg closed spin chain and obtain the integral representation for the eigenfunctions of the model. We calculate explicitly the Sklyanin measure defining the scalar product in the SoV representation and demonstrate that the language of Feynman diagrams is extremely useful in establishing various properties of the model. The kernel of the unitary transformation to the SoV representation is described by the same "pyramid diagram" as appeared before in the SoV representation for the SL(2,C) spin magnet. We argue that this kernel is given by the product of the Baxter Q-operators projected onto a special reference state.

International Nuclear Information System (INIS)

This report provides a summary of theoretical and experimental studies of actinide spectra in condensed phases. Much of the work was accomplished at Argonne National Laboratory, but references to related investigations by others are included. Spectroscopic studies of the trivlent actinides are emphasized, as is the use of energy level parameters, evaluated from experimental data, to investigate systematic trends in electronic structure and other properties. Some reference is made to correlations with atomic spectra, as well as with spectra of the (II), (IV), and higher valence states. 207 refs., 39 figs., 38 tabs.

Energy Technology Data Exchange (ETDEWEB)

Microorganisms are ubiquitous in subsurface environments although their populations sizes and metabolic activities can vary considerably depending on energy and nutrient inputs. As a result of their metabolic activities and the chemical properties of their cell surfaces and the exopolymers they produce, microorganisms can directly or indirectly facilitate the biotransformation of radionuclides, thus altering their solubility and overall fate and transport in the environment. Although biosorption to cell surfaces and exopolymers can be an important factor modifying the solubility of some radionuclides under specific conditions, oxidation state is often considered the single most important factor controlling their speciation and, therefore, environmental behavior.

International Nuclear Information System (INIS)

The results obtained from the magnetization, specific heat and electrical resistivity measurements on a polycrystalline sample of Pr_2Pd_3Si_5 are reported. The temperature dependence of magnetic susceptibility at low field (0.01 T) exhibits pronounced anomaly below 7 K due to antiferromagnetic ordering. The electrical resistivity and specific heat data also exhibit sharp transition at 6.6 K evidencing the onset of antiferromagnetic order. A fit to the electrical resistivity data below 6 K suggests the presence of an energy gap in magnon spectrum in the ordered state. (author)

International Nuclear Information System (INIS)

A study is made into microhardness and structure of coatings on various system steels (37G2S, 25Kh5M, R6M5), obtained by ion nitriding in a low pressure (10"-"1 Pa) arc discharge plasma. A comparison of properties is accomplished for steels nitrided in an arc gas discharge and in a furnace. It is stated that ion-plasma nitriding in an arc gas plasma generator is an efficient method of alloy steels hardening which allows changing the structure and increasing the hardness of a surface layer up to rather great depth

International Nuclear Information System (INIS)

A review is given of the state of knowledge of the chemistry of astatine with the oxidation number +1. According to the position in the periodic system, astatine has metalloidal properties. The existence of a singly-charged cation in acid solution and the complex formation reactions with halide ions (Cl"-, Br"-, and I"-), with pseudohalide ions (SCN"-, CN"-, C(CN)_3"-, and N_3"-), and with thioureas and their derivatives underline the metalloidal character of At(I). Optimal preparation conditions, chemical composition of astatine compounds, existence and stability regions of At(I) complexes, and stability constants have been investigated by means of electromigration in free electrolyte solutions.

Science.gov (United States)

Spectral and energy luminescence characteristics of R6G dye solutions in ethanol with addition of Ag nanoparticle suspensions in different aggregate states are experimentally investigated. It is demonstrated that incorporation of non-aggregated and aggregated nanoparticles causes the superluminescence thresholds in R6G solutions to decrease. It is established that the optical properties of the laser beam propagation channel are transformed when low-power (20 mW) cw laser radiation passes through the suspension of nanoparticles. This is manifested through the occurrence of a region with enhanced nanoparticle density in the laser beam center, on which diffraction of laser radiation is observed.

Energy Technology Data Exchange (ETDEWEB)

The physics of microcavities have been a subject of intense study over the past 25 years. This work stimulated a large body of experimental and theoretical work on the optimization of the light extraction properties of light-emitting diodes. Not only has this led to the current high efficiency microcavity LEDs but also to the high brightness LEDs based on other approaches, which are presently available on the market. An overview of the state of the art of planar semiconductor microcavity LEDs will be presented. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

International Nuclear Information System (INIS)

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.

Energy Technology Data Exchange (ETDEWEB)

Thick targets of several heavy lanthanide (Ho-Lu) compounds were bombarded by protons and /sup 3/He ions of 3 MeV/amu, and M/sub ..cap alpha../ and M/sub ..beta../ X-rays were measured with a crystal spectrometer. Ionization probabilities of the N-shell for zero impact parameter were obtained from the X-ray intensity ratio for proton and /sup 3/He ion impacts. A shell dependence of the ionization probability was found in a scaling plot. X-ray spectra of lanthanide compounds were compared and no chemical effect was observed. This result is considered to be due to the fact that the main component of M/sub ..cap alpha../ and M/sub ..beta../ lines is for radiative transition after the refilling of the 4f orbit (3d/sup -1/4f/sup n+1/ -> 4f/sup n/) where n denotes the number of 4f electrons of the target atom before ionization.

International Nuclear Information System (INIS)

High temperature thermochemistry of thoria-urania fuel for Advanced Heavy Water Reactor was investigated. Oxygen potential development within the matrix and distribution behaviors of the fission products (fps) in different phases were worked out with the help of thermodynamic and transport properties of the fps as well as fission generated oxygen and the detailed balance of the elements. Some of the necessary data for different properties were generated in this laboratory while others were taken from literatures. Noting the behavior of poor transports of gases and volatile species in the thoria rich fuel (thoria-3 mol% urania), the evaluation shows that the fuel will generally bear higher oxygen potential right from early stage of burnup, and Mo will play vital role to buffer the potential through the formation of its oxygen rich chemical states. The problems related to the poor transport and larger retention of fission ...

Energy Technology Data Exchange (ETDEWEB)

Nitinol has found growing applications in vascular stents, with the recent introduction on the market of a number of new nitinol tubular devices for coronary and peripheral usage. These stents can be produced either through the expansion of a pattern cut on a small tube (pre-cut) or by cutting the deployed design on a tube of a larger size (pre-expanded). The aim of the study was to analyze the differences of properties induced by the two manufacturing methods. For this purpose, differential scanning calorimetry (DSC) measurements were performed on various specimens from the two types of stents. A first set of measurements shows that pre-expanded stents exhibit usual A<->R<->M transformations whereas multi-stage transformations occur for pre-cut stents. Two types of DSC specimens were then prepared for each stent, corresponding to the straight sections and the curved parts of the stent. It is shown that the pre-cut stents exhibit less ...

Energy Technology Data Exchange (ETDEWEB)

For the purpose of proposing it to ISO, the R and D were conducted of a new evaluation method of thermal properties of polymer materials. The FY 1999 results were summarized. In this fiscal year, the development of the ac Joule heating equipment was proceeded with based on the study at the technical committee, and the measuring device was installed. In the comparative measurement with conventional methods, study was proceeded with of the laser flash method, AC calorimetry method and specific heat measurement. In the technical survey, the developmental state of the ac method, especially, was examined as a testing method of thermal properties of polymer materials. It is in the stage of the basic research by keyword selection, and the search for literature is to be made in full scale. As to the needs in the industrial circle, as a result of the questionnaire survey made, it was found out that there were a wide variety of the ...

Energy Technology Data Exchange (ETDEWEB)

The objective of this task was to obtain powder property data on candidate glass former materials, sufficient to guide conceptual design and estimate the cost of glass former handling facilities as requested under Part B1 of BNFL Technical and Development Support. Twenty-nine glass forming materials were selected and obtained from vendors for the characterization of their physical properties, durability in caustic solution, and powder flow characteristics. A glass former was selected based on the characterization for each of the ten oxide classes required for Envelope A, B, and C mixtures. Three blends (A, B, and C) were prepared based on formulations provided by Vitreous State Laboratory and evaluated with the same methods employed for the glass formers. The properties obtained are presented in a series of attached Tables. It was determined that five of the ten glass formers, (kyanite, iron oxide, ...

International Nuclear Information System (INIS)

The "7Be(#alpha#,#gamma#)"1"1C and "7Li(#alpha#,#gamma#)"1"1B reactions are investigated in the three-cluster Generator Coordinate Method. The microscopic wave functions are described from #alpha# and "3He ("3H) clusters, with two coupling modes: #alpha#+"7Be ("7Li) and "3He ("3H)+"8Be. Different internal states of "7Be ("7Li) and "8Be are taken into account. The model is tested on "1"1C and "1"1B spectroscopic properties, which agree fairly well with experiment. We suggest that, in both nuclei, the (3)/(2)"- and (5)/(2)"- states located close to the #alpha#+"7Be ("7Li) threshold, are intruder states. The "7Be(#alpha#,#gamma#)"1"1C and "7Li(#alpha#,#gamma#)"1"1B reaction rates are calculated for temperatures up to 10"9 K. A strong enhancement is found with respect to the reaction rates currently used in astrophysical calculations. ((orig.)).

International Nuclear Information System (INIS)

For the first time, rheological phase method, a simple and effective route, is applied to synthesize novel cathode material LiCoPO4. X-ray diffraction spectrometer (XRD), X-ray photoelectron spectrometer (XPS), transmission electron microscope (TEM) and electrochemical impedance spectroscopy (EIS) are taken to investigate this material, respectively. XRD figure shows that the rheological sample is better crystallized than the solid-state one. XPS result of the rheological sample exhibits that the valence of Co is 2+. TEM images show that better dispersed particles with smaller size can be formed by rheological method comparing to the solid-state route. Charge-discharge test is carried out in the range of 3.0-5.0 V at 0.2 mA cm-2. The initial discharge capacity for rheological phase and solid-state powder is 71.5 and 30.9 mAh g-1, respectively. The better electrochemical property should be ascribed to ...

Energy Technology Data Exchange (ETDEWEB)

A class-V myosin, myosin V, one of 18 known classes of actin-based motor proteins, plays a role in transporting organelles within a cell. Unlike myosin-II, which functions as an assembly in the thick filaments of muscle, myosin V is a two-headed processive motor protein, which functions as a single molecule: myosin V performs many consecutive steps before it detaches from an actin filament accompanied by catalytic cycles of ATP (adenosine 5'-triphosphate) ase. The mechanism of such chemomechanical steps is explained by a 'Hand-over-hand model' in which two heads of myosin V alternately repeat single-headed and double-headed bindings with an actin filament. To investigate the binding state of myosin V at several key nucleotide states during ATP hydrolysis, we measured the mechanical properties of a single myosin V - actin complex by applying an external load with optical trap.

CERN Document Server

This study explores a method to characterize temporal structure of intermittent phase locking in oscillatory systems. When an oscillatory system is in a weakly synchronized regime away from a synchronization threshold, it spends most of the time in parts of its phase space away from synchronization state. Therefore characteristics of dynamics near this state (such as its stability properties/Lyapunov exponents or distributions of the durations of synchronized episodes) do not describe system's dynamics for most of the time. We consider an approach to characterize the system dynamics in this case, by exploring the relationship between the phases on each cycle of oscillations. If some overall level of phase locking is present, one can quantify when and for how long phase locking is lost, and how the system returns back to the phase-locked state. We consider several examples to illustrate this approach: ...

International Nuclear Information System (INIS)

We have performed inelastic neutron scattering (INS) experiments on CeRh_3B_2 at various temperatures to obtain direct information on the crystal electric field (CEF) in this compound, which exhibits some very peculiar magnetic properties for a Ce system: it is ferromagnetic with an unusually high Curie temperature (115 K), which contrasts with a strongly reduced and anisotropic magnetization (0.4 #mu#_B/fu within the c-plane of the hexagonal structure). Measurements with high incident energies show only one well defined magnetic excitation around 150 meV, its exact position varying with the temperature. These results, combined with our previous data of magnetization and magnetic form factor, have permitted us to determine the CEF energy level scheme taking into account the two J multiplets of the Ce"3"+ ion. Information on the ground state (quasielastic contribution and ground state moment) has also been obtained by ...

International Nuclear Information System (INIS)

Relative densities and relative massic heat capacities have been measured for aqueous solutions of Y(ClO_4)_3, Yb(ClO_4)_3, Dy(ClO_4)_3, and Sm(ClO_4)_3 at T=(288.15,298.15,313.15, and 328.15) K and p=0.1 MPa. These measurements were made in the concentration range 0.01624#<=#m/(mol#centre dot#kg"-"1)#<=#0.41822 using a Sodev 02D Vibrating Tube Densimeter and a Picker Microflow Calorimeter, respectively. To counter the potential effects of hydrolysis, aqueous solutions of the investigated salts were acidified with perchloric acid. After correcting for the presence of the acid, the measured properties were used to calculate apparent molar volumes and apparent molar heat capacities for solutions of the perchlorate salts in water. The calculated apparent molar properties were modeled at each investigated temperature using Pitzer ion interaction equations to produce estimates of apparent molar volumes and heat capacities at infinite dilution. ...

Energy Technology Data Exchange (ETDEWEB)

Individual nanoscale building blocks exhibit a wide range of size-dependent properties, since their size can be tuned over known characteristic length scales of bulk materials. In the last several years, the possibility of combining different materials in the form of two and three component nanoparticles (NPs) has been extensively explored. Also multi-component materials can be obtained via self-assembly of NPs from their binary colloidal mixtures. These new nanocrystal solids may possess tunable collective properties that originate from interactions between size and composition controlled building blocks. Exchange coupling between neighboring NPs of magnetically soft and hard materials enhances the magnetic energy product of the nanocomposite material. Randomly mixed solids of small and large semiconducting CdSe NPs revealed enhancement of photoluminescence intensity of large semiconductor particles accompanied by quenching of ...

Energy Technology Data Exchange (ETDEWEB)

The shortage of fresh water is increasing at alarming levels, even in temperate zones. Desalination of brackish and seawater is being considered as a solution to growing water demands. Seawater desalination can be accomplished through reverse osmosis, vapor compression, vapor absorption and thermally driven systems. The most suitable process for large-scale desalination plants is successive brine evaporation-condensation with intermediate heat recovery. However, higher process efficiency could be achieved. The use of low temperature heat sources in seawater desalination requires an efficient method of evaporation and condensation at relatively low vapor pressures. This could be achieved in a humidification-dehumidification process using circulated air to enhance evaporation of water. Simulation models, however, neglect either the heat of evaporation or the changes in air and water properties within humidification and condensation towers. Therefore, the purpose of ...

Energy Technology Data Exchange (ETDEWEB)

Recently, the public has become aware of keywords like ''Quantum computer'' or ''Quantum cryptography''. Regarding their potential application in solid state based quantum information processing and their overall benefit in fundamental research quantum dots have gained more and more public interest. In this context, quantum dots are often referred to as ''artificial atoms'', a term subsuming their physical properties quite nicely and emphasizing the huge potential for further investigations. The basic mechanism to be considered is the theoretical model of a two-level system. A quantum dot itself represents this kind of system quite nicely, provided that only the presence or absence of a single exciton in the ground state of that structure is regarded. This concept can also be expanded to the presence of two excitons ...

International Nuclear Information System (INIS)

Interest to thin film of metals' silicides first of all is conditioned intrinsic al them unique physical properties. On their basis of it is possible to produce extremely sophisticated devices of solid-state electronics, production which needs the controlled change of physics, chemical and electrical properties with high-level of accuracy. On the present time most are in detail investigated composition, structure and properties of three-dimensional samples of metals' silicides. In the last years the intensive are led to researches in the direction of creation and study of physical-chemical properties thin (500-1000 Angstroms) and ultrafine (100-120 Angstroms) films silicides. It has information about composition, morphology of surface and emission of properties of thin film of silicides of barium, of cobalt and of palladium, was obtained in conditions of ...

Energy Technology Data Exchange (ETDEWEB)

A review of the various solidification agents and techniques that are currently available or potentially applicable for the solidification of low-level radioactive wastes is presented. An overview of the types and quantities of low-level wastes produced is presented. Descriptions of waste form matrix materials, the wastes types for which they have been or may be applied and available information concerning relevant waste form properties and characteristics follow. Also included are descriptions of the processing techniques themselves with an emphasis on those operating parameters which impact upon waste form properties. The solidification agents considered in this survey include: hydraulic cements, thermoplastic materials, thermosetting polymers, glasses, synthetic minerals and composite materials. This survey is part of a program supported by the United States Department of Energy's Low-Level Waste Management ...

International Nuclear Information System (INIS)

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 of states for the ...

International Nuclear Information System (INIS)

A semirelativistic two-component extended linear augmented plane-wave k#centre dot#p method is described. In order to ensure a high accuracy of the k#centre dot#p method, it is necessary to include into the radial-basis set, which is used for the augmentation of the plane waves, functions that are neither solutions of the Schrodinger equation nor their energy derivatives. The usual scalar relativistic procedure, which is nonlinear in energy, is not applicable to such basis sets. As an alternative, we suggest an approximation to the Foldy-Wouthuysen Hamiltonian that produces an explicitly Hermitean matrix in the augmented plane wave representation. The technique is applied to the calculation of the full dielectric matrix and optical properties of palladium and platinum metals over the photon energy region up to 100 eV. Special attention is paid to the far ultraviolet absorption by the excitations of semicore Pd 4p and Pt 5p and 4f states. A ...

British Library Electronic Table of Contents (United Kingdom)

Photoluminescence properties and local electronic structures of rare earth (Eu^3^+ and Ce^3^+) activated Sr3AlO4F have been studied. X-ray powder diffraction data indicated that the activator ions of Eu^3^+ and Ce^3^+ can be incorporated into the Sr3AlO4F lattice and formed limited solid solutions of Sr3-2xLnxNaxAlO4F (Ln=Eu, Ce) with Na^+ as a charge compensator ion. The local structure around Sr sites was initially explored using Eu-activated Sr3AlO4F as a structural probe. Sr3AlO4F:Eu^3^+ exhibits orange-red emission ranging from 520 to 740nm with a maximum peak at about 619nm mainly originating from the ^5D0->^7FJ (J=0, 1, 2, 3, 4) transitions, indicating that Eu exists mainly in the trivalent state due to a strong oxidative lattice in Sr3AlO4F. Sr3AlO4F:Ce^3^+ shows an unusual long-wa...

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Semiconductive crystalline PZT powders doped with Bi and K were synthesized by hydrothermal reaction at 200{degree}C for 48 hours. The synthesis of the crystalline powders became difficult with an increase in doped amount of Bi and K, and in Zr/(Ti+Zr) ratio. Since substantial amounts of Pb remained in solution after hydrothermal reaction, the addition of Pb in excess of 25% was necessary to obtain the stoichiometric composition of the PZT solid solution. Bi contents in the powders were identical to those in starting materials, while K contents were less than expected ones. The electromechanical properties of the sintered bodies could be precisely measured by an admittance-curve-fitting method. The electromechanical coupling factor and piezoelectric coefficient of the sintered bodies varied with the Bi content like those of specimens prepared by solid state reaction, and showed the maximum values at a given Bi content. However, the change in ...

Energy Technology Data Exchange (ETDEWEB)

Semiconducting properties of passive films formed on AISI 304 stainless steel grade were investigated by capacitances measurements in chloride containing aqueous solutions for different surface finishes: BA (bright annealing in hydrogen containing atmospheres) and 2B (standard annealing in oxidising atmospheres followed by pickling in acid, then water rinsing). Mott-Schottky analysis shows that for high enough electrode potential, and whatever the surface finish, the films behave like n-type semiconductors. 2B passive film appears to be more donor-doped than BA one and the density of donor states increases with chloride concentration. The electron donor levels are assumed to be generated by negatively charged cations vacancies produced by the chloride ions reaction with the outer passive film. This reaction looks easier for 2B than BA condition, which explains why BA resists better than 2B to pit nucleation.

International Nuclear Information System (INIS)

Makrofol-De 1-1 CC Polycarbonate is a class of polymeric solid state nuclear track detectors which has many applications in various industrial fields. A study of the modification possibility of the dielectric properties of Makrofol polymer using laser irradiation has been carried out. In tbe present work, Makrofol samples were irradiated using different fluences between 0.47 and 10.4 J/cm"2 of 5 watt infrared pulsated laser. The mollifications in the laser irradiated Makrofol samples have been studied as a function of fluence using dielectric constant #epsilon#', dielectric loss #epsilon#"and AC conductivity #sigma#_AC measurements. Tbe frequency dependencies (100 Hz-5 MHz) of #epsilon#', #epsilon#"and #sigma#_AC at 35 degree c were investigated. The dielectric constant #epsilon#', dielectric loss #epsilon#"and AC conductivity #sigma#_AC were found to increase at heating up to 100 degree C. This indicates that #epsilon#', #epsilon#"#sigma#_AC ...

International Nuclear Information System (INIS)

Holmium doped barium based hexaferrites BaFe_1_2_-_2_xHo_2_xO_1_9 with (x = 0.0-1.0) were synthesized by solid state reaction method. Structural and magnetic characterization of these ferrites provide significant information about their reactive physical properties. X-ray analysis reveals that in all samples M-type structure exist with few secondary phases. Scanning electron microscope revealed the grain size of the specimen. The results show that grain size decreases with the substitution degree of Holmium. Thus rare earth element Holmium Ho"3"+ acts as a grain growth inhibitor. The magnetic hysteresis loops show the variation in the values of magnetic parameters like saturation magnetization (M_s), remanent magnetization (M_r) and coercivity (H_c) were observed by changing Ho"3"+ content in BaFe_1_2_-_2_xHo_2_xO_1_9 ferrites. Coercivity showed a maximum value of 2230 Oe for (x = 0.4) and then decreasing trend were observed in the values of ...

CERN Document Server

We present new results from accurate and fully general-relativistic simulations of the coalescence of unmagnetized binary neutron stars with various mass ratios. The evolution of the stars is followed through the inspiral phase, the merger and prompt collapse to a black hole, up until the appearance of a thick accretion disk, which is studied as it enters and remains in a regime of quasi-steady accretion. Although a simple ideal-fluid equation of state with \\Gamma=2 is used, this work presents a systematic study within a fully general relativistic framework of the properties of the resulting black-hole--torus system produced by the merger of unequal-mass binaries. More specifically, we show that: (1) The mass of the torus increases considerably with the mass asymmetry and equal-mass binaries do not produce significant tori if they have a total baryonic mass M_tot >~ 3.7 M_sun; (2) Tori with masses M_tor ~ 0.2 M_sun are measured for binaries ...

International Nuclear Information System (INIS)

We study the dynamical evolution of globular clusters containing primordial binaries, including full single and binary stellar evolution using our Monte Carlo cluster evolution code updated with an adaptation of the single and binary stellar evolution codes SSE and BSE from Hurley et al. We describe the modifications that we have made to the code. We present several test calculations and comparisons with existing studies to illustrate the validity of the code. We show that our code finds very good agreement with direct N-body simulations including primordial binaries and stellar evolution. We find significant differences in the evolution of the global properties of the simulated clusters using stellar evolution compared with simulations without any stellar evolution. In particular, we find that the mass loss from the stellar evolution acts as a significant energy production channel simply by reducing the total gravitational binding energy and can significantly ...

CERN Document Server

We use X-ray scattering and molecular simulations to investigate the structural properties of complexes of multivalent cationic lipids and DNA molecules. At low mole fraction of neutral lipids (NLs), $\\Phi_{\\rm NL}$, the complexes show dramatic DNA compaction down to essentially close packed DNA arrays with a DNA interaxial spacing $d_{\\rm DNA}=25\\AA$. A gradual increase in $\\Phi_{\\rm NL}$ does not lead to a continuous increase in $d_{\\rm DNA}$ as observed for DNA complexes of monovalent cationic lipids (CLs). Instead, distinct spacing regimes exist, with sharp transitions between them. Three packing states have been identified: (i) close packed, (ii) condensed, but not close packed, with $d_{\\rm DNA}=27-28\\AA$, and (iii) an expanded state, where $d_{\\rm DNA}$ increases gradually with $\\Phi_{\\rm NL}$. Based on our experimental and computational results, we conclude that the DNA condensation is mediated by the ...

Energy Technology Data Exchange (ETDEWEB)

In this paper, the state-of-the-art ultrasonic and magnetic measuring techniques developed at Kawasaki Steel and used in the production process of steel sheets are described. Representative examples shown here are as follows: (1) Magnetic flux leakage testing system for the detection of nonmetallic inclusions, (2) Nondestructive orientation measurement for secondary re-crystallized grains in grain-oriented electrical steel by ultrasonic interferometry, (3) Immersion testing method for the detection of nonmetallic inclusions, (4) Surface wave probe for the detection of surface flaws in rolls used in rolling mills. Developments of these techniques and their applications to actual steel sheets production processes have contributed to advance in technologies for quality assurance and control. With the help of these techniques, steel sheet products with advanced and uniform properties are being continuously produced to meet customers' ...

Science.gov (United States)

The relationship between processing, microstructure, and properties was studied for A-15 compounds in multifilamentary composites produced by solid-state diffusion and in thin-film samples produced by vapor deposition. Grain sizes of A-15 superconducting compounds were measured by transmission electron microscopy of multifilamentary composites reacted at various temperatures. Critical current densities at 4.2 K and fields up to 6 T were found to be similar for niobium-tin, vanadium-gallium, and vanadium-silicon of the same grain size. Study of the Cu-V-Si phase diagram led to the production of improved multifilamentary vanadium-silicon conductors. The effects of various alloying elements on A-15 layers produced by solid-state diffusion were studied. The most promising new observation was that tantalum can be incorporated into niobium-tin reaction layers, leading to an enhancement of critical currents at high fields. The ...

International Nuclear Information System (INIS)

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 ...

International Nuclear Information System (INIS)

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 dissolution and variational collapse are ...

Energy Technology Data Exchange (ETDEWEB)

A new two-step solid-state process was developed for synthesis of a pure phase 4.7 V LiMn{sub 1.5}Ni{sub 0.5}O{sub 4-{delta}} (LMNO) spinel of good electrochemical properties. This process which was based on formation of stable Ni{sub 1-x}Mn{sub 2}O{sub 4-{delta}} (x {<=} 0.33) spinel followed by subsequent lithiation, demonstrated the emerging of LiMn{sub 1.5}Ni{sub 0.5}O{sub 4-{delta}} frame work at temperatures of as low as 350 C. During this lithiation process, migration of metal ions (Ni/Mn) from partially occupied tetrahedral 8a sites (in Ni{sub 0.67}Mn{sub 2}O{sub 4-{delta}}) toward octahedral 16d site occurred. The resultant spinel material displayed low irreversible loss, a 97% columbic efficiency and 6% loss in discharge capacity after 100 cycles at 60 C. (author)

Energy Technology Data Exchange (ETDEWEB)

This study compares the microstructure and mechanical properties of plain and 0.9 or 3.6 wt% VC- or Cr{sub 3}C{sub 2}-doped WC-12 wt% Co hardmetals with 40 wt% NbC, prepared by pulsed electric current sintering (PECS) in the solid state for 4 min at 1240 deg. C and conventional pressureless liquid phase sintering (CS) for 1 h at 1420 deg. C. The addition of VC or Cr{sub 3}C{sub 2} was found to inhibit grain growth of the residual WC grains, whereas the size of the solid solution (Nb,W,V/Cr)C grains was hardly influenced. The type of grain growth inhibitor and densification temperature however, strongly influenced the composition of the NbC solid solution formed, which was thermodynamically and experimentally assessed.

International Nuclear Information System (INIS)

The spin relaxation processes within the pyrochlore Ho_2Ru_2O_7 have been investigated by neutron scattering and bulk property techniques. A single-ion process, that is thermally activated, dominates the spin-spin relaxation spectrum above 2 K. Assuming Arrhenius behaviour, we found an activation energy #DELTA# = (329 #+-# 6) K and characteristic relaxation time #tau#_0 (5.2 #+-# 0.3) x 10"-"1"2 s in the paramagnetic state, akin to those found in the spin ice, Ho_2Ti_2O_7. Atlow temperature (T<95 K) the activation energy lowers and below 20 K the entropy and ac susceptibility are similar to that observed in other spin ice compounds within a 10 kOe field.

Energy Technology Data Exchange (ETDEWEB)

A solar thermophotovoltaic (STPV) system has both terrestrial and space applications because thermal energy storage can be utilized. Excellent properties (heat of fusion=1800 j/gm and melting temperature=1680 K) make silicon the ideal thermal storage material for an STPV system. Using a one dimensional model with tapering of the silicon storage material, it was found that several hours of running time with modest lengths ({approximately}15 cm) of silicon are possible. Calculated steady-state efficiencies for an STPV system using an Er-YAG selective emitter and ideal photovoltaic (PV) cell model are in the range of 15{percent}{endash}17{percent}. Increasing the taper of the storage material improves both efficiency and power output. {copyright} {ital 1996 American Institute of Physics.}

International Nuclear Information System (INIS)

The electrochemical/spectroscopic integrated measurement system was designed and set up for spectro-electrochemical measurements of lanthanide and actinide ions in high temperature molten salt media. A compact electrochemical cell and electrode system was also developed for the minimization of reactants, and consequently minimization of radioactive waste generation. By applying these equipment, oxidation and reduction behavior of lanthanide and actinide ions in molten salt media have been made. Also, thermodynamic parameter values are determined by interpreting the results obtained from electrochemical measurements. Several lanthanide ions exhibited fluorescence properties in molten salt. Also, UV-VIS measurement provided the detailed information regarding the oxidation states of lanthanide and actinide ions in high temperature molten salt media

International Nuclear Information System (INIS)

Progress in experimental investigations of high spin excitations in spherical and transitional nuclei in the A = 180 to 204 mass range is described. Most of the experiments were performed by in-beam #gamma#-ray spectroscopy using beams of "3He, "4He, and "1"2C ions from the Michigan State University cyclotron. The main results of studies of the nuclei "1"9"5 "1"9"7 "1"9"9 "2"0"1 "2"0"2 "2"0"3Pb, "1"9"6 "1"9"7 "1"9"9 "2"0"0Hg and "1"8"6 "1"8"7 "1"8"8 "1"8"9Pt are summarized.

Energy Technology Data Exchange (ETDEWEB)

In this paper the basic properties of non-rotating and slowly rotating protoneutron stars in the relativistic mean-field approach are discussed. The equation of state is the main input to the structure equations. The TM1 parameter set extended to the finite-temperature case is used to obtain the mass-radius relation for protoneutron stars. The occurrence of unstable branches in the mass-radius relation are presented. This allows for the existence of distinctively different evolution tracks for protoneutron stars. The low-density protoneutron star configurations are estimated. The stable configurations obtained for fixed lepton number Y{sub L}=0.4 are compared with those obtained for fixed proton fraction Y{sub P}=0.1776. (author)

Energy Technology Data Exchange (ETDEWEB)

Heat transfer experiments were performed in the post-CHF two-phase flow regime in a vertical tube. The tube inside diameter was 7.75 mm, and the boiling fluid was R-113. The experiments were performed at steady state by means of liquid heating of the test tube. Wall superheats were maintained below 70 C for heat exchanger/steam generator application. The mass flux range of the data was 379-816 kg m{sup -2} s{sup -1}. The use of R-113 significantly extended the property range of the existing low wall-superheat data base. Experimental data are presented in tabular as well as graphical form, and the results were used with low wall-superheat data from other fluids to add generality to a predictive heat transfer correlation. (orig.)

International Nuclear Information System (INIS)

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 computer.

Energy Technology Data Exchange (ETDEWEB)

Potassium clusters arrayed in zeolite A are known to show ferromagnetic properties at low temperature. The origin of the spontaneous magnetization has been explained by a model of spin-canting in an antiferromagnetically ordered state. The direct information for the magnetic structure, however, has not been obtained so far. In the present work, we measure the neutron powder diffraction by using pulsed neutron source at KEK-KENS below and above the Curie temperature. No significant temperature-dependence was, however, obtained within the statistical errors, namely, magnetic scattering could not be detected separately. We also estimate the intensity of magnetic scattering by assuming some possible magnetic structures with considering the magnetic form factor of the cluster wave function. The intensity of magnetic scattering is estimated to be extremely weak and higher S/N of {approx}10{sup 4} or more is required to detect the magnetic scattering ...

Energy Technology Data Exchange (ETDEWEB)

Materials and processing designs for advanced magnesium alloys with fine microstructures and superior properties were established by the combination of the repeated plastic working and the Mg{sub 2}Si synthesis in solid-state. The grain size was less than 1 {mu}m via RPW process due to its severe plastic working on raw powder. The hot extruded magnesium alloys produced in industries showed high ultimate tensile strength, e.g. 420{proportional_to}450 MPa, when employing Mg-Zn-Al-Ca-RE (Rare Earth) alloy coarse powder, having 0.5{proportional_to}2 mm diameter, as input materials. (orig.)

Energy Technology Data Exchange (ETDEWEB)

The magnetic susceptibility and electrical resistivity in cerium and neodymium titanate bronzes in Ln/sub 2/3+x/TiO/sub 3+y/ of the perovskite structure were investigated in the temperature range 77-450/sup 0/K. The deviation of the 1/x = f(T) dependence from the Curie-Weiss law, found for a majority of the compositions, was interpreted from the crystal-field effect based on the state of the Ce/sup 3 +/ and Nd/sup 3 +/ cations. For a number of the phases, a transition from metallic conductivity at high temperatures to semiconducting conductivity was detected at temperatures below 200-250/sup 0/K, which agrees well with the conclusion about the temperature dependence of x, related to the subsystem of Ti/sup 3 +/ cations.

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We present a systematic study of the magnetization, Hall effect and specific heat on single crystals of Mn{sub 4}Si{sub 7}. Curie-Weiss law is observed above 43 K. At low-temperature moments order in an anisotropic helical state and are aligned above 1 T. We observe an anomalous Hall effect in both {rho}{sub H} vs. B and in R{sub H} vs. T curves and a field dependence of the low T specific heat due to spin fluctuations. The magnetic moments (p{sub eff} and p{sub sat}) are the lowest reported for similar itinerant magnetic systems, this suggests that Mn{sub 4}Si{sub 7} is a good candidate to observe critical quantum fluctuations expected for a marginal Fermi liquid.

International Nuclear Information System (INIS)

Interaction of Yb-Pd-Si system components is studied, isothermal cross section of this system state diagram at 870 K is constructed. Five new ternary silicides are detected in the system: YbPd_5Si_3, Yb_3Pd_2_0Si_6, YbPd_2Si, YbPd_0_,_6_7Si_1_,_3_3, YbPdSi; the existence of one more -YbPd_2Si_2, earlier known, is confirmed. Crystal structure for all the compounds detected is determined and examined. Data on the materials magnetic properties are obtained. It is assumed that YbPd_2Si, YbPd_2Si_2 and YbPdSi compounds appear to be the Condo-systems. 10 refs., 3 figs., 3 tabs.

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In this work, we present results of a systematic study of optical properties of Er{sup 3+} ions in 6H SiC. The role of N-donors played in activation of photoluminescence (PL) of erbium at 1.5 {mu}m was investigated. We have confirmed that N-donors are necessary for activation of the Er PL on one hand, whereas on the other we present evidence that N-donors compete for excitation with Er centres. The high-resolution measurements of the Er{sup 3+} PL were performed aiming at determination of crystal field split levels of the {sup 4}I{sub 15/2} ground and {sup 4}I{sub 13/2} first excited multiplet of Er{sup 3+} ions. Careful analysis of temperature evolution of individual PL lines allowed proposing energy level schemes for the ground and first excited states.

Science.gov (United States)

Human embryonic stem (ES) cells can undergo spontaneously differentiation in standard culture conditions, demonstrating that the undifferentiated state is relatively unstable. The heterogeneous expression of SSEA3 observed within human ES colonies, provides a means to examine undifferentiated stem cell substates. Through functional testing of single cells we have shown that undifferentiated ES cells can be segregated into functionally discrete subpopulations on the basis of SSEA3 expression: SSEA3(High), SSEA(Low) and SSEA3(Negative). Human ES subpopulations were found to be interconvertible, but they possess distinct properties when challenged to differentiate along the neural lineage. These data suggest that ES cells with pluripotent/self-renewal capacities can exhibit different responses to induction of differentiation. PMID:21763622

International Nuclear Information System (INIS)

The potential material class for use at 600"0C and more, e.g. for steam turbines with improved thermal efficiency, are austenitic steels. Using these steels with welded joints, it is to be considered that, by superposition of weld residual stresses and service stresses, extensive creep strains - and in the worst case crack formation - can occur locally. To assess the influence of these effects on service behaviour, different material states of CrNi-steels and Incoloy 800 were investigated with respect to strength, ductility and, especially, to crack and creep crack growth in the temperature range around 600"0C. It is shown that creep embrittlement, not microstructural changes as effected by weld heat input, causes heat affected zone (HAZ)-reheat cracking. Creep embrittlement can be avoided by special design and fabrication rules. (orig.).

International Nuclear Information System (INIS)

The magnetic scattering spectra of RAgSb_2 (R = Ho, Er, Tm) intermetallic compounds are measured and their crystal electric field parameters are determined using inelastic neutron scattering. It is revealed that the ground state is a nonmagnetic singlet for the HoAgSb_2 compound, a Kramers doublet with a strongly anisotropic g factor for the ErAgSb_2 compound, and a quasi-doublet (random doublet) characterized by an extremely anisotropic g factor for the TmAgSb_2 compound. The exchange interaction is estimated in the molecular field approximation. The magnetic properties of the RAgSb_2 compounds are analyzed in terms of the energy level schemes and eigenfunctions determined in this study. The calculated anisotropic magnetic susceptibilities for all compounds are in good agreement with the experimental data obtained for single crystals.

British Library Electronic Table of Contents (United Kingdom)

In this paper, it is shown that (In1?xAlx)2S3 thin films can be grown through the co-evaporation of elemental indium, aluminum and sulfur. It is nevertheless observed that the introduction of aluminum within the indium sulfide thin films hinders the crystallites size and even yields almost amorphous films when x is 0.2. The investigations of the optical properties of the films reveal that contrary to what could be expected, the band gap increase is low; the highest values measured do not exceed 2.2eV. However, as suggested by X-ray photoelectron spectroscopy measurements, such widening most probably affects the lower conduction band states.

British Library Electronic Table of Contents (United Kingdom)

The z-phase, existing between 35% and 70% U in Pu, belongs to the high-density phases seen from the point of view of systematics of allotropic modifications of Pu metal. Despite the volume per actinide atom only slightly higher than for a-Pu, it magnetic susceptibility is much higher than for a-Pu and exceeds even the d-Pu value. Similarly, the Sommerfeld coefficient g>40mJ/mol Pu K2 exceeds the experimental d-Pu value. The data confirm that the volume is not the primary control parameter affecting the situation around the Fermi level of common Pu phases and they point against the traditional belief that they are essentially narrow 5f band systems. Electronic structure calculations suggest that the 5f states of Pu have slightly lower occupancy comparing with d-Pu. A tendency to the 5f loca...

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When backward time travel through wormholes is taken into account, classical physics loses its determinism and allows simulation of some quantum behaviours. We show how it is possible to simulate a non-local wavefunction reduction-type effect, i.e. we present a mechanical analogy for the collapse of the wavefunction of an entangled state of two removed particles. This situation can be seen as the simplest EPR situation, i.e. the situation where there is just one direction to measure along the spin (or the correlated properties). We present no rigorous results here, just a different point of view about something that is generally thought to be impossible: modelling a quantum indeterministic and non-local behaviour with a mechanical system.

Energy Technology Data Exchange (ETDEWEB)

A simple model based on surface chemistry is developed, based an simple concepts of contact angle, wetting and spreading. Results of the modeling can be stated by two simplified rules of thumb'': (1) A liquid will spread on the surface of a solid if the surface tension of the liquid is lose than the surface free energy of the solid, and (2) The liquid having the surface tension nearest that of the solid will preferentially wet the surface of the solid. These two rules can then be used to define the parameters that constitute a process for formulating a plastic bonded explosive (PBX), which is a crystalline high-explosive material coated with a small amount of plastic polymeric material (the binder). The PBX then can be pressed to a high density, and machined to a specific shape. The pressed and machined explosive material can then be used in a physics experiment to study fundamental properties of either the explosive or some ...

International Nuclear Information System (INIS)

Dy doped #alpha#-SiAlON ceramics prepared by the hot-pressing method show a high optical transmittance value, >70%, in the infrared region of 1.5-4.5 #mu#m. First principles calculations have been carried out to reveal the underlying transparency mechanism. It is found that the valence shell of doped Dy atoms interacts strongly with the doping states of #alpha#-SiAlON, resulting in the increase in the optical gap from 0.4 to 1.1 eV, which suppresses the photoabsorption in the wavelength region longer than 1.0 #mu#m and leads to the good transparency property. The calculated optical transmission spectra are in good agreement with the corresponding experiments.

International Nuclear Information System (INIS)

A study of the magnetic properties and the heat capacity as functions of temperature and magnetic field of two ternary carbides RNiC_2, where R=La and Ce, confirms that LaNiC_2 becomes superconducting at T_c=2.7thinspK, and that CeNiC_2 orders antiferromagnetically below 18thinspK. LaNiC_2 is a conventional superconductor with a critical field of 900 Oe at T=2thinspK. CeNiC_2 obeys the Curie-Weiss law between 50 and 300thinspK showing the nearly full Ce"3"+ magnetic moment, p_e_f_f=2.47(1)#mu#_B, and has a negative paramagnetic Weiss temperature #THETA#_p=-18.3(8)thinspK. A low net magnetic moment in the ordered state, which is far from saturation in a magnetic field of 5thinspT, is consistent with an antiferromagnetic ground state. Below 20thinspK CeNiC_2 shows multiple-step magnetic transitions at 18, 10, and 2.4thinspK. Both LaNiC_2 (in the normal state) and CeNiC_2 have the same electronic heat ...

International Nuclear Information System (INIS)

First-principles self-consistent band-structure calculations of potassium titanyl arsenate, KTiOAsO_4 (KTA), have been made using the full potential linearized augmented plane wave (FP-LAPW) method. Total and partial densities of states of the constituent atoms of KTA have been derived. The results obtained show that the valence band of KTA is dominated by contributions of the O 2p-like states, while the Ti 3d-like states are the main contributors into the conduction band of the compound. Additionally, the FP-LAPW calculations have revealed that potassium atoms are highly ionized in KTA. In the present work, the X-ray emission spectroscopy (XES) and X-ray photoelectron spectroscopy (XPS) methods were also employed to investigate experimentally the electronic structure of potassium titanyl arsenate. For the mentioned compound, the XES K Ll, Ti L#alpha#, As K#beta#_2 and O K#alpha# bands reflecting the valence K s-, Ti s,d-, ...

British Library Electronic Table of Contents (United Kingdom)

Philosophical semantics requires an ontology that includes negative as well as positive states of affairs as truth-makers and truth-breakers. Theories that try to do without negative states of affairs while interpreting propositional truth as positive correspondence with existent states of affairs are inherently inadequate and incomplete. A semantics and ontology of negative states of affairs can also do justice to positive states of affairs, since the iterated negative state of affairs that a negative state of affairs exists describes a positive state of affairs, but the iterated positive state of affairs that a positive state of affairs exists never describes a negative state of affairs. Negative states of affairs are not only essential ...

Science.gov (United States)

... Descriptors : *COMBUSTIBLE CARTRIDGE CASES, STYPHNATES, PHYSICAL PROPERTIES, TENSILE PROPERTIES, PRIMERS ...

Energy Technology Data Exchange (ETDEWEB)

We investigate the dynamics of an 11-dimensional homogeneous cosmological model. We assume that the t = const hypersurfaces are products of a 3-dimensional Bianchi type-IX space and a 7-dimensional torus. Most results of our investigation hold when the 7-dimensional torus is replaced by an m-dimensional torus T/sup m/. We show that for a large class of vacuum solutions the physical space expands while the microspace contracts providing a natural mechanism of dimensional reduction. Matter satisfying a simple barotropic equation of state always breaks the process of dynamical dimensional reduction. With special attention we study the behavior of our model close to the initial singularity. In contrast with the 4-dimensional Bianchi type-IX cosmological model the Kasner solution always describes an approach to the initial singularity. We study the transition from the Kasner regime to the oscillatory regime. We show that matter does not significantly change this ...

Energy Technology Data Exchange (ETDEWEB)

The rare-earth based nickelates RNiO{sub 3} (R = Pr, Nd, Sm, Eu, and Pr{sub 1-x}La{sub x}, 0{<=}x{<=}0.7) were studied by inelastic neutron scattering. Energy splittings due to the crystalline-electric-field (CEF) interaction at the R{sup 3+} site within the electronic ground-state J multiplet (for R = Pr, Nd, and Pr{sub 1-x}La{sub x}) as well as within the two lowest-lying J multiplets (for R = Sm and Eu) were directly observed, and the corresponding CEF energy-level schemes were reconstructed. The latter were rationalized in terms of CEF parameters, which vary smoothly over the rare-earth series and give magnetic properties associated with the R sublattice in agreement with results from neutron powder diffraction experiments. Across the metal-insulator transition, a continuous change in the electronic part of the CEF parameters is observed. However, an attempt to quantify a charge transfer from the observed variation of the CEF ...

International Nuclear Information System (INIS)

The rare-earth based nickelates RNiO_3 (R=Pr, Nd, Sm, Eu, and Pr_1_-_xLa_x, 0#<=#x#<=#0.7) were studied by inelastic neutron scattering. Energy splittings due to the crystalline-electric-field (CEF) interaction at the R"3"+ site within the electronic ground-state J multiplet (for R=Pr, Nd, and Pr_1_-_xLa_x) as well as within the two lowest-lying J multiplets (for R=Sm and Eu) were directly observed, and the corresponding CEF energy-level schemes were reconstructed. The latter were rationalized in terms of CEF parameters, which vary smoothly over the rare-earth series and give magnetic properties associated with the R sublattice in agreement with results from neutron powder diffraction experiments. Across the metal-insulator transition, a continuous change in the electronic part of the CEF parameters is observed. However, an attempt to quantify a charge transfer from the observed variation of the CEF parameters in an effective point charge ...

Energy Technology Data Exchange (ETDEWEB)

We examined a catalytic effect of niobium oxide (Nb{sub 2}O{sub 5}) on the hydrogen storage properties of MgH{sub 2} prepared by mechanical ball milling method. The MgH{sub 2} composite doped with 1 mol% Nb{sub 2}O{sub 5} by ball milling for 20 h desorbed hydrogen up to {approx}6 mass% in the temperature range from 200 to 250 {sup o}C at the heating rate of 5 {sup o}C/min under a purified helium flow. After dehydrogenation at 200 {sup o}C, the product showed remarkable hydrogen absorption kinetics. A large amount of gaseous hydrogen up to {approx}4.5 mass% was absorbed even at room temperature under 1 MPa hydrogen pressure within 15 s and finally its capacity reached up to 5 mass%. Furthermore, the valence state of Nb{sub 2}O{sub 5} doped in MgH{sub 2} was examined by X-ray absorption near edge structure (XANES) measurement. The results indicated that additive Nb{sub 2}O{sub 5} was reduced by MgH{sub 2} during mechanical milling. This suggests ...

Science.gov (United States)

... in the terminal state and ... Descriptors : (*OPTIMIZATION, *STOCHASTIC PROCESSES), (*INPUT ... DEVICES, OPTIMIZATION), QUEUEING THEORY ...

International Nuclear Information System (INIS)

The series of cubic pyrochlore structure compounds, R_2Mo_2O_7 (R = Nd-Yb, Y; R not= Eu), were prepared as single phase materials by solid state reaction between R_2O_3 and MoO_2 at 1400 "0C in a CO/CO_2 = 1 buffer gas atmosphere. Lattice constants obtained from X-ray powder data compare well with results from previous studies. Magnetic susceptibility and magnetization data were obtained for all samples between 300 K and 4.2 K (700 K for R = Gd) and a range of applied fields. For R = Nd, Sm, and Gd magnetic ordering is observed at 97 K, 93 K and 83 K respectively which is assigned to ferromagnetism on the Mo(IV) sublattice. The Mo(IV) moment in the ordered state is about 1 #mu#/sub B/. At low temperatures, the Gd(III) and Mo(IV) moments are apparently coupled feromagnetically in Gd_2Mo_2O_7 yet the high temperature susceptibility data seem to indicate a ferrimagnetic (antiparallel) Gd(III)-Mo(IV) coupling. The low-temperature magnetic ...

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The performance of binary geothermal power plants can be improved through the proper choice of a working fluid, and optimization of component designs and operating conditions. This paper reviews the investigations at the Idaho National Engineering Laboratory (INEL) which are examining binary cycle performance improvements: for moderate temperature (350 to 400 F) resources with emphasis on how the improvements may be integrated into design of binary cycles. These investigations are examining performance improvements resulting from the supercritical vaporization of mixed hydrocarbon working fluids and achieving countercurrent integral condensation with these fluids, as well as the modification of the turbine inlet state points to achieve supersaturated turbine vapor expansions. For resources where the brine outlet temperature is restricted, the use of turbine exhaust recuperators is examined. The baseline plant used to determine improvements in plant performance ...

International Nuclear Information System (INIS)

The valence and spin-state distributions of Co ions and the complex structure of antiferromagnetic Ba_2Co_9O_1_4 have led to the suggestion that doped Ba_2Co_9O_1_4 compounds may be good thermoelectric materials. We have checked this suggestion by measuring the magnetic properties as well as the transport properties of nominal Ba_1_._9A_0_._1Co_9O_1_4 (A=La or Na). We show that although all compounds are indicated to be single phase by powder X-ray diffraction analysis, they are all p-type polaronic conductors with low mobile-hole concentrations. Magnetic-susceptibility data of the parent and La-doped compounds give evidence of a second magnetic phase with ferromagnetic order setting in below 215 K; but this second phase is not seen in the Na-doped sample. We conclude that the structure is stabilized by oxidation and that cation exolution from the Ba_2Co_9O_1_4 structure creates cation vacancies that oxidize the high-spin ...

Energy Technology Data Exchange (ETDEWEB)

This paper surveys the publications available in the literature concerning the application of the second-law of thermodynamics to internal combustion engines. The availability (exergy) balance equations of the engine cylinder and subsystems are reviewed in detail providing also relations concerning the definition of state properties, chemical availability, flow and fuel availability, and dead state. Special attention is given to identification and quantification of second-law efficiencies and the irreversibilities of various processes and subsystems. The latter being particularly important since they are not identified in traditional first-law analysis. In identifying these processes and subsystems, the main differences between second- and first-law analyses are also highlighted. A detailed reference is made to the findings of various researchers in the field over the last 40 years concerning all types of internal ...

International Nuclear Information System (INIS)

A-15 compounds are extremely brittle and difficult to process for practical applications. A novel processing technique was developed to greatly improve the mechanical and superconducting properties of A-15 alloys. The new processing technique can be described as follows: (1) to select compounds that can form the A-15 phase (the selected A-15 compounds in this research were Ti3Nb6Mo3Si4 and Nb99.5-(x + y)AlxSiyB0.5 alloys); (2) to rapidly solidify them into the amorphous state; (3) to anneal the quenched amorphous products into ultra fine-grained single A-15 phase. The extreme grain refinement greatly improved the flexibility and the critical current density of the alloys. The melt spinning technique was used to rapidly solidify Ti3Nb6Mo3Si4 and Nb99.5-(x + y)AlxSiyB0.5 alloys. Ti3Nb6Mo3Si4 alloys were relatively easily formed into the amorphous state. Nb3Al alloys required the addition of glass forming elements Si and B. It ...

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Ethanol has excellent fuel properties, such as high octane, high heat of vaporization and low photochemical reactivity in the atmosphere. It is less volatile than gasoline and there is lower smog formation from evaporative emissions of pure ethanol compared to gasoline. As such, ethanol has emerged as an important alternative energy source that is sustainable, efficient, cost effective, convenient and safe. In 2006, global production of ethanol reached 13.5 billion gallons, up from 12.1 billion gallons in 2005. However, in light of the current debate of food versus fuel, the industry must shift to non-food feedstocks. This paper described an emerging technology to cost-effectively produce ethanol from sweet sorghum stalks, the most promising alternative feedstock to corn, via solid state fermentation (SSF). Experiments of advanced solid state fermentation (ASSF) for ethanol production from sweet sorghum by Saccharomyces ...

Energy Technology Data Exchange (ETDEWEB)

The aim of this paper is to present the phase-space properties of the systems that contain bradyons, luxons and tachyons. It is shown that particularly at low energy, these properties are quite different from the well-known properties of bradyons.

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Science.gov (United States)

... Accession Number : ADA136144. Title : Characteristics of the Mechanical Properties and the Fractures of an Alpha Beta Titanium Alloy,. ...

International Nuclear Information System (INIS)

Oxide superconducting thin films were irradiated with X-rays and ultra-violet (UV) light, and induced radiation effects on electrical and chemical properties were examined by transport measurement, X-ray diffraction analysis (XRD), diamagnetization measurement and X-ray photoemission spectroscopy (XPS). After irradiation for ErBa_2Cu_3O_x films with X-rays emitted from a Rh tube for 100 hours, superconductivity was remarkably damaged, destroying the zero-resistance state. The UV-light irradiation for Bi_2Sr_2CaCu_2O_x films was performed in He gas of about 500 Pa with a low pressure mercury lamp. The superconductivity was gradually degraded with the UV irradiation time up to 70 minutes. In both cases, adequate oxygen-annealing treatments restored superconductivity. The X-ray photoemission spectra showed that the mean Cu valence of the films was decreased approximately from +2 to +1 by the irradiation. From these results we can find that ...

Energy Technology Data Exchange (ETDEWEB)

For reduction of the amount of waste plastics, the paper summarized the actual recycling state and the present recycling technology in Japan. A total plastic discharge amount of Japan in 1995 is 8.84 million tons, approximately 60% of all the production amount, 950,000 tons of which are recycled. Reutilized are pallets and containers in the physical distribution field. Recycling is a cascade recycling to the usage field where the degree of the required properties is lower than that of products used in virgin. As to making it a chemical material, chemical recycling technology by depolymerization has been developed. Thermal recycling is a strong method where combustion heat energy of waste plastics is used for steam production and power generation. The thermal recycling is divided into a direct combustion method and a method of use as fuel. Keys to promote and settle recycling are summarized to the following five: promotion of the government ...