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The Yb{sup 3+}-doped non-linear rare-earth calcium oxoborate crystals GdCa{sub 4}O (BO{sub 3}){sub 3} (GdCOB) and YCa{sub 4}O(BO{sub 3}){sub 3} (YCOB) were investigated by low-temperature absorption and selective excitation spectroscopy. The selective excitation and emission spectra revealed the spectral features of the main Yb{sup 3+} centre and the principal minority one in both crystals. The energy level schemes for these centres in both hosts, as well as structural assignments, were proposed. It was established that the minority centre, which represents about 10% of the total intensity and was assigned to Yb{sup 3+} in a Ca{sup 2+} site, is not a trap but an energy donor for the main centre. Common features of and differences between the vibronic structure of the two centres in GdCOB and YCOB are discussed. The existence of additional ...

International Nuclear Information System (INIS)

Experimental data in the Kondo lattice YbPd_2Si_2 is compared with the results of a hybridization model, based ont he 'large degeneracy expansion' approximation, which takes into account the crystal field level splittings of the Yb ion. We show that satisfactory agreement is obtained with a unique set of crystal field and hybridization parameters. (orig.).

International Nuclear Information System (INIS)

The objectives of this research were to investigate the possibility of controlling the #alpha#'/#beta#' phase ratio and morphology in Sialon ceramics. These objectives have been sought by the control of the starting composition, and by post sintering heat treatment. The main emphasis has been on the production of a series of #alpha#' and (#alpha#'+#beta#') Sialon ceramics with a minimum amount of the glass phase by the pressureless sintering technique and using ytterbium (Yb) as an #alpha#' stabilising element. The Yb additions were made via the oxide or the alumino- silicate presynthesised glass; the latter was found to improve the density. The XRD analysis of the as sintered materials revealed #alpha#' to be the dominant phase with minor contributions from #beta#' sialon and/ or 12H A1N polytype. Additions of SiO_2 or #beta#-Si_3N_4 were made to various materials to assess potential mechanisms for obtaining control over the microstructural ...

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... low temperature moessbauer effect palladium silicides thulium silicides thulium

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Experimental data in the hybridised compound YbPd{sub 2}Si{sub 2} is compared with the results obtained with a recently proposed hybridisation model, based on the ''large-degeneracy expansion'' approximation, which takes into account the crystal field splittings of the rare earth ion energy levels. With a unique set of parameters, satisfactory agreement is simultaneously obtained for the thermal variation of the electronic specific heat, of the magnetic susceptibility and of the electric field gradient at the Yb site, as well as for the field variation of the low temperature magnetisation. (orig.).

International Nuclear Information System (INIS)

LaPO4 single crystals lightly doped with Er3+, and codoped with Er3+ and Yb3+ have been grown by spontaneous nucleation in a lead phosphate flux. Absorption and luminescence spectra have been measured in the visible and near-IR regions and the excited state dynamics has been studied upon pulsed laser excitation. The obtained results have allowed the evaluation of the effective emission cross-sections around 1.5 ?m, that have been found to be similar to important oxide laser crystals doped with Er3+. Efficient visible upconversion has been observed upon excitation at 980 nm in the codoped crystals. This behaviour is attributed to Yb3+-Er3+ energy transfer processes.

International Nuclear Information System (INIS)

The magnetization of a series of intermetallic compounds Au_3R, where R is Gd through Yb, was investigated at 2.5 to 300"0K in applied fields up to 26 kOe. All the compounds studied exhibited the orthorhombic TiCu_3--Do/sub a/ type structure. For high temperatures, the temperature dependence of the inverse susceptibility followed a Curie--Weiss law, yielding effective paramagnetic moments in good agreement with the values calculated for free tripositive rare earth ions. At low temperatures, deviations from Curie--Weiss behavior were observed in all cases. These deviations are ascribed to the influence of crystal-field and exchange interactions. (auth).

British Library Electronic Table of Contents (United Kingdom)

Yb-, Y-, Yb/Y-, and Yb/Nd-doped -SiAlON ceramics with 5-wt% barium aluminosilicate (BAS) were synthesized by hot pressing. Typical self-reinforced microstructures were obtained in all investigated -SiAlONs in spite of the type of doped cations. This is attributed to the incorporation of BAS, which could supply suitable liquid phase to promote the anisotropic growth of the -SiAlON grains. All the composites exhibited excellent high-temperature mechanical properties and thermal shock resistance due to the formation of a self-reinforced microstructure and the complete crystallization of BAS additive.

British Library Electronic Table of Contents (United Kingdom)

Single crystals of ytterbium tartrate trihydrate have been grown by gel method using silica and agar-agar gels as media of growth. The medium of growth influences the morphology of grown crystals, silica gel yielding single and polycrystalline in the form of spherulites whereas agar-agar gel leading to growth of single and twinned crystals. Materials grown as single crystals have been characterized by using optical and scanning electron microscopy (SEM), EDAX, XRD, FT-IR, CHN and thermogravimetric techniques. The stoichiometry of the grown single crystals is suggested to be Yb(C4H4O6) (C4H5O6).3H2O. The FT-IR spectrum shows the presence of singly as well as doubly ionized tartrate ligands. Results of thermal analysis indicate that the material is thermally stable up to a temperature of 200...

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A practical method to determine the ionic diffusion coefficient and activation energy by using quasielastic light scattering (QELS) is presented. It is shown that a temperature dependence curve of the QELS intensity at a fixed frequency can be well fitted by Jonscher's formula and that the diffusion parameters can be obtained from this curve fitting. This method is successfully applied not only to crystals with high optical quality, as reported earlier, but also to opaque ceramics, which are more important than the crystals from a practical point of view. The composition dependence of the ionic diffusion coefficient is studied in sintered YbSZ to show the usefulness of this method.

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... structure crystal-phase transformations fluorescence fluorescence spectroscopy

International Nuclear Information System (INIS)

The ternary stannides RE_3Ru_4Sn_1_3 (RE = La, Ce, Pr, Nd) were obtained by arc-melting of the elements. The polycrystalline samples were characterized by powder X-ray diffraction. The structures of three compounds were refined from single-crystal diffractometer data: Yb_3Rh_4Sn_1_3 type, Pm anti 3n, a = 977.74(3) pm, wR2 = 0.0379, 280 F"2 values for La_3Ru_4Sn_1_3, a = 971.34(9) pm, wR2 = 0.0333, 274 F"2 values for Ce_3Ru_4Sn_1_3, a = 970.68(8) pm, wR2 = 0.0262, 272 F"2 values for Nd_3Ru_4Sn_1_3 with 13 variables per refinement. The structures consist of three-dimensional networks of condensed RuSn_6_/_2 trigonal prisms with the RE (CN 16) and Sn2 (CN 12) atoms in two different types of cavities of the networks. The two crystallographically independent tin sites have been resolved by "1"1"9Sn Moessbauer spectroscopy. Temperature-dependent magnetic susceptibility measurements of Ce_3Ru_4Sn_1_3 gave a ...

British Library Electronic Table of Contents (United Kingdom)

Magnetic moment and susceptibility of single crystals of rare earth tartrates of the type R(C4H4O6)(C4H5O6)3H2O (where R = Gd, Ho, and Yb), using a vibration sample magnetometer are reported. The experimental values of molar susceptibilities for Gd(C4H4O6)(C4H5O6)3H2O, Ho(C4H4O6)(C4H5O6)3H2O, and Yb(C4H4O6)(C4H5O6)3H2O are 2.58x10-2, 4.66x10-2, and 8.03x10-3 (in cgs em units), respectively. The calculated effective magnetic moments are in good agreement with the theoretical predictions on rare earth ions.

Energy Technology Data Exchange (ETDEWEB)

In a laser system for converting infrared laser light waves to visible light comprising a source of infrared laser light waves and means of harmoic generation associated therewith for production of light waves at integral multiples of the frequency of the original wave, the improvement of said means of harmonic generation comprising a crystal having the chemical formula X.sub.2 Y(NO.sub.3).sub.5 .multidot.2 nZ.sub.2 o wherein X is selected from the group consisting of Li, Na, K, Rb, Cs, and Tl; Y is selected from the group consisting of Sc, Y, La, Ce, Nd, Pr, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu, Al, Ga, and In; Z is selected from the group consisting of H and D; and n ranges from 0 to 4.

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The ErNi{sub 1-} {sub x} Cu {sub x} Al compounds crystallize all in the hexagonal ZrNiAl-type structure. The concentration dependence of lattice constants shows a discontinuity between x=0.5 and 0.6. This structural change has no primary impact on the magnetic order in this series, but influences the crystal field. The lower part of the crystal-field energy-level schemes has been estimated from the specific-heat data.

Science.gov (United States)

Cadmium telluride single crystals were subjected to multiple-energy boron ion implants with total doses up to 1.5 x 10 sq cm. Various diagnostic techniques were used to assess the structural and electronic properties of these crystals in their as-implante...

International Nuclear Information System (INIS)

In YbPd_2Si_2, the valence of Yb is very close to 3+. Ge substitution of Si induces a negative pressure effect and the valence of Yb decreases. For the low Ge concentrations studied, the spin fluctuation temperature T_s_f increases and #chi#4f, the Yb derived 4f susceptibility, obeys the scaling law #chi#4f(T)=F(T/T_s_f). (orig.).

International Nuclear Information System (INIS)

1975. USSR Zabrodskij, VA Nedavnij, OI INIS-mf--3677. Available from

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Nuclear structure data pertaining to all known A = 166 nuclides (Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu, Hf, Ta, W, Re, Os, Ir, Pt) have been compiled and evaluated, and incorporated into the ENSDF data file. This evaluation for A = 166 supersedes the previous publication (E.N. Shurshikov and N.V. Timofeeva, Nuclear Data Sheets 67, 45 (1992) (literature cutoff date 1 October 1990)) and the revision by C.M. Baglin of {sup 166}W (literature cutoff data 16 April 2000). It includes literature available by 1 March 2008. Subsequent to the previous evaluation, {sup 166}Gd has been observed for the first time and the first observations of excited states in {sup 166}Tb, {sup 166}Re, {sup 166}Os and {sup 166}Ir have been reported: also, knowledge of collective structure in {sup 166}Dy. {sup 166}Ho, {sup 1676}Er, {sup 166}Tm, {sup 166}Yb, {sup 166}Lu, {sup 166}Hf, and {sup 166}Ta has been considerably expanded. However, ...

International Nuclear Information System (INIS)

Augmented plane wave calculation of gadolinium electronic structure crystallized in a hexagonal close-packed lattice is carried out.

International Nuclear Information System (INIS)

We present a study of the crystal field in PrNiAl, NdNiAl, ErNiAl and ErCuAl intermetallic compounds based on inelastic neutron spectroscopy. These compounds crystallize in the ZrNiAl-type hexagonal structure with an orthorhombic symmetry on rare-earth sites. The results are compared with the specific-heat data, and the lower parts of the crystal-field energy-level schemes are determined. (orig.)

International Nuclear Information System (INIS)

In this work, ZnO thin films have been grown on glass substrates by using a solution of propanol (C3H8O), water (H2O) and zinc acetate (Zn(CH3CO2)2) in acidified medium (pH 5). The obtained films were n doped with ytterbium (Yb) at the rates of 100, 200 and 300 ppm. The structural features of the doped films were investigated using XRD, atomic force microscopy and scanning electronic microscopy techniques. XRD analysis shows a strong (0 0 2) X-ray diffraction line for increasing Yb-doping amounts. This c-axis preferential orientation of ZnO crystallites is naturally required to use this oxide as transparent conductor in optoelectronic applications. Atomic force microscopy (AFM) analysis shows an enhancement in the surface roughness of the doped ZnO:Yb thin films. Optical measurements were performed in 300-1800 nm domain via transmittance T(?) and reflectance R(?) spectra. Conjoint optical and thermal ...

International Nuclear Information System (INIS)

The energy levels scheme of octahedrally coordinated Ni2+ ion in single crystal, powder nano-single crystal, ceramics and glass-ceramics of MgGa2O4 host matrix, has been calculated in the exchange charge model of crystal field. The parameters of the crystal field acting on the Ni2+ ion are calculated from the crystal structure data, after optimization of the geometry of the system. The energy level schemes have been calculated by diagonalization of the crystal field Hamiltonian of this system. The obtained results were compared with experimental data; a good agreement were demonstrated, which confirm the validity of the model and used method.

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The crystal and molecular structures of the anti-acquired immunodeficiency syndrome agent 3'-azido-3'-deoxythymidine (AZT) have been determined by x-ray diffraction. There are two crystallographically independent AZT molecules in the crystal asymmetric unit; they have similar conformation and differ primarily in the glycosyl torsion angle. Comparisons with a hydrated thymidylate structure indicate that the azido group does not significantly affect the gross conformational preference of the molecule. The comparisons also suggest possible functional roles for the azido group in enzyme binding.

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... magnetic susceptibility magnetization monocrystals neutron diffraction

British Library Electronic Table of Contents (United Kingdom)

Herein, we demonstrate the structure of the PS colloidal crystals which were fabricated on the hydrophilic/hydrophobic Si wafers by a spin-coating technique. Monodisperse PS colloids are spin-coated onto self-assembled monolayers of 3-(aminopropyl)triethoxysilane and propyltrimethoxysilane coated Si wafers. PS spheres organized as ordered close-packed face-centered cubic structure with (111) planes on the hydrophilic surface while they gathered without the crystal structure on the hydrophobic surface. This paper also reports a simple and rapid method to fabricate the close-packed structure of hollow TiO2 spheres. The colloidal crystal of TiO2 hollow spheres was prepared using the PS sphere template on the hydrophobic surface. The mechanism for the growing multilayers of self-assembled PS p...

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English 21 Jan 2001 [10 p.] United Kingdom Kumaran, D Eswaramoorthy,

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.

British Library Electronic Table of Contents (United Kingdom)

Background: Thyroid-stimulating autoantibodies (TSAb) bind to the thyrotropin receptor (TSHR) extracellular domain, or ectodomain (ECD), comprising a leucine-rich repeat domain (LRD) linked by a hinge region to the transmembrane domain (TMD). The LRD (residues 22???260; signal peptide 1???21) contains two disulfide-bonded loops at its N-terminus. In the crystal structure of the isolated LRD complexed with human TSAb monoclonal antibody (mAb) M22, N-terminal disulfide loop 1 (residues 22???30) could not be determined because of crystal disorder. Nevertheless, present crystal structure data are interpreted to exclude a role for the LRD N-terminal disulfide loops in the TSAb epitope(s), contradicting prior functional evidence of a role for these loops in TSAb function. Materials and Methods: ...

International Nuclear Information System (INIS)

The absorption, emission and magnetic circular dichroism spectra of the anionic complex (Cp_3Pr. NCS)"- were measured at room and low temperatures. On the basis of these spectra the electronic structure in the f-f range could be derived. The parameters of an empirical Hamiltonian were fitted to the experimentally determined crystal field splitting pattern. Compared with the previously examined neutral Cp_3 Pr.X complexes the quadratic crystal field parameter B_0"2 is considerably reduced.

International Nuclear Information System (INIS)

High-K states in the region of 177Lu have been studied using multi-nucleon transfer reactions with 136Xe beams and Gammasphere. Results include identification of the predicted 5-quasiparticle K#pi# = 39/2 - isomer in 177Lu, a 7-quasiparticle K#pi# = 49/2 + isomer in 179Ta with an anomalously fast decay, and numerous other examples in a range of Yb close to stability. The results are discussed in the context of the expectations for multi-quasiparticle states near Z = 72 and the factors which may both govern isomer formation and also give an insight into K-purity, specifically chance degeneracies, and statistical mixing above the yrast line.

International Nuclear Information System (INIS)

The development of tough #alpha#-SiAlON with elongated grains in the last five years is summarized. This progress has been guided by the improved understanding of phase relations and nucleation/growth kinetics in SiAlON ceramics. Although most #alpha#-SiAlON compositions can be processed to contain some elongated grains, their microstructure, fracture toughness and R-curve behavior vary greatly. Such variability is due to the different phase stability of #alpha#-SiAlONs and the varying physical chemistry of the competing phases, including the transient/residual liquid. For this reason, microstructure control of #alpha#-SiAlON must pay close attention to the composition, starting powder and heating schedule. Seeding with single crystals of an appropriate #alpha#-SiAlON composition provides an attractive alternative that simplifies the task of microstructure control, since such seeds are thermodynamically stable and they completely dominate the nucleation statistics. ...

International Nuclear Information System (INIS)

Single crystals of semi-organic L-histidine hydrobromide have been grown by slow evaporation technique from a mixture of L-histidine and hydrobromic acid in aqueous solution at ambient temperature. From high-resolution X-ray diffraction analysis, the crystalline perfection of the grown crystal has been studied. Single crystal X-ray diffraction analyses, Nuclear Magnetic Resonance spectral analysis, Thermo-Gravimetry (TG), Differential Thermal Analysis (DTA) and hardness test have been employed to characterize the as-grown crystals. The UV cutoff wavelength of the grown crystal is below 300 nm and has a wide transparency window, which is suitable for second harmonic generation of laser in the blue region. Nonlinear optical characteristics have been studied using Q switched Nd:YAG laser (#lambda#=1064 nm). The second harmonic generation conversion efficiency of the grown ...

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The structural change of the (100-x)(0.6Li{sub 2}S{center_dot}0.4SiS{sub 2})centre dotxLi{sub 3}PO{sub 4} oxysulfide glassesduring crystallization was analyzed by means of solid-state nuclear magnetic resonance (NMR) and X-ray photoelectron spectroscopy (XPS). The unique tetrahedral units of SiO{sub n}S{sub 4-n} (n=1,2,3) and PO{sub n}S{sub 4-n} (n=1,2,3) present in the glass samples vanished and the SiS{sub 4}, PS{sub 4}, SiO{sub 4} units increased with proceeding of the crystallization process. Nonbridging sulfur and oxygen atoms decreased while bridging oxygens and S{sup 2-} increased with proceeding of the crystallization process. Large structural difference between the glass and the corresponding crystallized sample explained the high stability against crystallization found in the oxysulfide glass with the composition of X=5. (author)

International Nuclear Information System (INIS)

The absorption and magnetic circular dichroism spectra of [N(n-Bu)_4]"+[(MeCp)_3PrCl]"- dissolved in 2-MeTHF were measured at room and at low temperatures. On the basis of these spectra the crystal field splitting pattern could be derived. The parameters of an empirical Hamiltonian were fitted to the energies of 42 levels to give an r.m.s. deviation of 23 cm"-"1. From the crystal field parameters obtained the crystal field strength of the ligand collective was estimated. Compared with neutral Cp_3Pr circle B complexes the crystal field strength of the anionic [(MeCp)_3PrCl]"- moiety is unusually low. (orig.)

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The preparation, crystal structure, and the electrical properties of the compound (ET)/sub 3/Ag/sub x/I/sub 8/ where x = approx. 6.4 and ET is bis(ethylenedithio)tetrathiafulvalene, C/sub 10/S/sub 8/H/sub 8/, are described. The compound possesses a truly two-dimensional polymeric anion, one which combines the structural features of both an organic electronic conductor and an inorganic solid electrolyte. The crystal structure consists of alternating anion and cation donor layers. The compound exhibits high electronic conductivity dominated by the electronic contribution, at least near room temperature.

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The exchange charge model of crystal field theory has been used to analyze systematically the ground state absorption spectra of octahedrally coordinated Ni{sup 2+} ion in isostructural nickel halide crystals NiCl{sub 2}, NiBr{sub 2}, and NiI{sub 2}. The parameters of the crystal field acting on the Ni{sup 2+} ion are calculated from the available crystal structure data. The obtained energy level schemes are compared with experimental absorption spectra; a good agreement with experimental data is demonstrated. Dependencies of the crystal field invariants and covalence effects on the type of ligands are considered. It is shown numerically that the overlap effects between Ni{sup 2+} ion and ligands increase with an increase of the ligands' atomic number resulting in the following order of the degree of covalence: NiI{sub 2}>NiBr{sub ...

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To improve organic electronic applications, knowledge about microscopic mechanisms determining the charge carrier mobilities is pivotal. 9,10-Diphenylanthracene (DPA) has been identified as model system to study those correlations due to its high electron and hole mobilities at room temperature and its complex structural phase behaviour. We demonstrate our temperature dependent Time-Of-Flight data on single crystals grown by vapor phase transport (VPT) and by Bridgman growth technique. Both preparation techniques revealed crystals of different morphologies resulting in significant variations of the related bipolar mobilities. As a key result, the charge carrier mobility of {proportional_to}1 cm{sup 2}/Vs at room temperature along the (111)-direction of Bridgman crystals exceeds that along the (001)-direction of VPT grown crystals by about one order of magnitude. The observed ...

International Nuclear Information System (INIS)

In CsCdBr_3, Tm"3"+ substitutes for Cd"2"+. It predominately forms symmetric dimer centers and single-ion centers, both of trigonal symmetry. The energy level schemes of both centers were determined by EPR and site-selective laser spectroscopy. To describe the spectra term dependent crystal-field parameters were deduced on the basis of a microscopic model taking into account the local lattice deformation induced by the impurity centers and the quasi-resonant virtual scattering of intrinsic lattice excitations by the Tm"3"+ ions. (orig.)

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White beam Laue micro-diffraction was performed on directionally solidified, single-crystal Mo pillars in the as-grown state, after focused ion beam (FIB) milling and after pre-straining. The Laue diffraction peaks from the as-grown pillars are very sharp and show no broadening, similar to those from single-crystal Si wafers. Significant broadening and streaking of the peaks occurred after FIB milling and pre-straining, indicative of the damage these treatments induce in the nearly perfect crystal structure of the directionally solidified Mo pillars.

International Nuclear Information System (INIS)

The nine title compounds were prepared from the elements by arc-melting and subsequent heat treatment in resistance and high-frequency furnaces. The crystal structure of these isotypic compounds was determined for YPdSi from single-crystal X-ray diffractometer data: Pmmn, a = 430.8(1) pm, b = 1391.2(1) pm, c = 743.1(1) pm, Z = 8, R = 0.024 for 417 structure factors and 40 variable parameters. The crystal structures of the isotypic compounds GdPdSi and ErPdSi were also refined from single-crystal data. The structure is of a new type. It consists of condensed, six-membered rings of alternating palladium and silicon atoms with Pd-Si bond distances varying between 249.6 and 258.8 pm. These two-dimensionally infinite nets are connected to each other via weak Pd-Si and Si-Si bonds with bond distances of 276.3 and 259.5 pm. The ...

British Library Electronic Table of Contents (United Kingdom)

We present a comparative study on the acoustic tunneling through artificial periodical composites, from phononic crystals to acoustic metamaterials. We find that the features of the acoustic tunneling are closely related with the origins of band gaps. In particular, the band gap associated with the negative effective material parameter in the metamaterial results in a better analog of the tunneling effect to the quantum system.

UK PubMed Central (United Kingdom)

Post-transcriptional nucleoside modifications fine-tune the biophysical and biochemical properties of transfer RNA (tRNA) so that it is optimized for participation in cellular processes. Here we report...Full Text Available

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This was a project to investigate the crystal chemistry of OH and H{sub 2}O substitution in silicate minerals by use of X-ray and neutron diffraction methods combined with IR spectroscopy and to interpret and generalize the results using an electrostatic model for these mineral structures. Using these data together with published H position data electrostatic parameters for H sites were calculated from a simple electrostatic model. The data were then used to refine the model for incorporation of H into the wadsleyite structure. This has led to recent work on the synthesis and characterization of hydrous wadsleyites.

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New alloys of Cu.sub.x Ag.sub.(1-x) InSe.sub.2 (where x ranges between 0 and 1 and preferably has a value of about 0.75) and CuIn.sub.y Ga.sub.(1-y) Se.sub.2 (where y ranges between 0 and 1 and preferably has a value of about 0.90) in the form of single crystals with enhanced structure perfection, which crystals are substantially free of fissures are disclosed. Processes are disclosed for preparing the new alloys of Cu.sub.x Ag.sub.(1-x) InSe.sub.2. The process includes placing stoichiometric quantities of a Cu, Ag, In, and Se reaction mixture or stoichiometric quantities of a Cu, In, Ga, and Se reaction mixture in a refractory crucible in such a manner that the reaction mixture is surrounded by B.sub.2 O.sub.3, placing the thus loaded crucible in a chamber under a high pressure atmosphere of inert gas to confine the volatile Se to the crucible, and heating the reaction mixture to its melting point. The melt can then be ...

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The luminescence spectra of trivalent europium ion embedded in various rare earth chromates were analysed. The spectroscopic data in most of chromates are in agreement with the structural determination but for some others the discrepancy between two methods is underlined. Energy level schemes were deducted from the experimental emission spectra and the crystal field simulation has been performed. The maximum splitting of the {sup 7}F{sub 1} manifold of the Eu{sup 3+} ion as a function of N{sub v}, the so-called crystal field strength parameter, is given. This allows us to classify the compounds according to their crystal field extent. (author) 11 refs, 8 figs, 2 tabs

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Radial sonic crystals (RSC) are fluidlike structures infinitely periodic along the radial direction that verify the Bloch theorem and are possible only if certain specially designed acoustic metamaterials with mass density anisotropy can be engineered (see Torrent and Sanchez-Dehesa 2009 Phys. Rev. Lett. 103 064301). A comprehensive analysis of two-dimensional (2D) RSC shells is reported here. A given shell is in fact a circular slab with a central cavity. These finite crystal structures contain Fabry-Perot-like resonances and modes strongly localized at the central cavity. Semi-analytical expressions are developed to obtain the quality factors of the different resonances, their symmetry features and their excitation properties. The results reported here are completely general and can be extended to equivalent 3D spherical shells and to their photonic counterparts.

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A number of different theoretical approaches have been used to model to atomic structure and properties of solid-liquid interfaces. Most calculations indicate that ordering occurs in the first several layers of the liquid, adjacent to the crystal surface. In contrast to the numerous theoretical investigations, there have been no direct experimental observations of the atomic structure of a solid-liquid interface for comparison. Saka et al. examined solid-liquid interfaces in In and In-Sb at lattice-fringe resolution in the TEM, but their data do not reveal information about the atomic structure of the liquid phase. The purpose of this study is to determine the atomic structure of a solid-liquid interface using a highly viscous supercooled liquid, i.e., a crystal-amorphous interface.

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Yb3+?Tm3+ codoped tellurite glasses containing silver nanoparticles (NPs) were synthesized and characterized using transmission electron microscopy and optical techniques. The samples? composition and the nucleation of NPs were investigated using electron diffraction and energy dispersive spectroscopy. For the optical experiments, the samples were excited using a diode laser operating at 980?nm, in resonance with the Yb3+ transition 2F7/2?2F5/2. Photoluminescence (PL) bands corresponding to Tm3+ transitions were observed at 480, 650, and 800?nm due to the Yb3+? Tm3+ energy transfer. PL enhancement was achieved by heat-treatment of the samples at 325?C during different time intervals. The growth of the PL bands correlates with the increase of the silver NPs concentration. The relevant mecha...

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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 ...

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Using the method of high resolution electron microscopy (HEM) the shape and structure of powder particles of elementary amorphous boron, prepared by plasmochemical reduction of boron trichloride by hydrogen before and after their heat treatment in vacuum of approximately 1 x 10 SPa at the temperature of approximately 800 deg C for 30 min, have been studied. It is established, that ultradispersed particles of amorphous boron present flat formations (discs) of stable configurations, composed of several icosahedrons (structural elements); their growth during heat treatment takes place first in habitus plane without far order formation, and then, after attaining the diameter of approximately 500 A, the process of three-dimensional crystallization starts, which leads to the formation of crystal lattice of boron US -rhombohedric modification.

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This work proposes an acoustic structure feasible to engineer that accomplishes the requirements of acoustic cloaking design recently introduced by Cummer and Schurig (2007 New J. Phys. 9 45). The structure, which consists of a multilayered composite made of two types of isotropic acoustic metamaterials, exactly matches the conditions for the acoustic cloaking. It is also shown that the isotropic metamaterials needed can be made of sonic crystals containing two types of material cylinders, whose elastic parameters should be properly chosen in order to satisfy (in the homogenization limit) the acoustic properties under request. In contrast to electromagnetic cloaking, the structure here proposed verifies the acoustic cloaking in a wide range of wavelengths; its performance is guaranteed for any wavelength above a certain cutoff defined by the homogenization limit of the sonic crystal ...

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DC resistivity, dc magnetization, and specific heat of eight Sc{sub 5}Co{sub 4}Ge{sub 10}-type crystal-structure compounds R{sub 5}T{sub 4}Ge{sub 10} for R = Dy, Ho, Er, Tm, and T = Rh and Ir are presented. The resistivity, single-crystal magnetization, and specific-heat results show that in all those compounds, the magnetic moments order antiferromagnetically in the c direction at low temperature. However, in the Er and Tm compounds, the magnetizations along x-y hard directions do not show any anomalies above 2.0 K. This suggests that the ordered Er and Tm ions, which have positive quadrupole coefficients, interact with a crystal field that has an electronic potential valley along the c axis. The fitting of the hard axis magnetizations to Curie-Weiss law suggests that the resulting antiferromagnetic-like {theta} reflects the strength of the crystal-field torque on the magnetic moments rather than the ...

UK PubMed Central (United Kingdom)

Two novel crystal structures of Zea mays protein kinase CK2α catalytic subunit, one in complex with the specific inhibitor 4,5,6,7-tetrabromobenzotriazole (TBB) and another...Full Text Available

International Nuclear Information System (INIS)

The structural changes attendant on intermartensitic transformation in a Ni-Mg-Ga shape memory alloy are considered using magneto-optical visualization with the help of ferrite-garnet monocrystalline films. It is established that on the intermartensitic transformation the complete reorganization of martensite macrostructure fails. Martensite crystals resulted from the basic transformation change somewhat their sizes on intermartensitic transition. The existence of large-scale labyrinth magnetic domain structure is revealed

UK PubMed Central (United Kingdom)

We report the 1.1-Å resolution crystal structure of a bulky rhodium complex bound to two different DNA sites, mismatched and matched in the oligonucleotide 5′-(dCGGAAATTCCCG)₂-3′....Full Text Available

UK PubMed Central (United Kingdom)

β-Lactamases are the main cause of bacterial resistance to penicillins and cephalosporins. Class A β-lactamases, the largest group of β-lactamases, have been found in many bacterial...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

This paper attempts to explain the peculiarities of the radial-distribution function of metal glasses without involving ideas of the amorphous structure. On a computer, the radial atomic density for a spherical eutectic single crystal of the composition Fe/sub 84/C/sub 16/ of radius 15 A formed by alternating small crystals of e-Fe and Fe/sub 3/C of cubic form with the edge of the cube ca 10 A. For the sake of clarity, the diagram of such a quasisingle crystal is shown and has been given a cubic boundary. The change in the relationship between the heights of the subpeaks of the second maximum of the radial distribution function of atoms in the Fe-B glasses with a change in the concentration of boron can be explained by the change in the space group of the Fe/sub 3/B metastable boride which is formed in this system.

British Library Electronic Table of Contents (United Kingdom)

A novel continuous laminar shear structuring crystallizer with a suitable cooling system was designed and built. This is a new method to continuously crystallize edible fat in the desirable polymorphic form from the melt while being uniformly sheared.The machine consists of four main sections: Feed unit, shearing mechanism, cooling system and power unit. In each of these sections specific design considerations are taken into account which makes the process controllable and continuous. The shearing unit is made of two concentric cylinders. The internal cylinder is stationary and has a cooling system inside for temperature control. The outer cylinder rotates to produce a uniform shear in the sample fluid placed in the 1.5mm gap between the cylinders. The sample's feed rate is controlled whil...

Energy Technology Data Exchange (ETDEWEB)

In CsCdBr{sub 3}, Tm{sup 3+} substitutes for Cd{sup 2+}. It predominately forms symmetric dimer centers and single-ion centers, both of trigonal symmetry. The energy level schemes of both centers were determined by EPR and site-selective laser spectroscopy. To describe the spectra term dependent crystal-field parameters were deduced on the basis of a microscopic model taking into account the local lattice deformation induced by the impurity centers and the quasi-resonant virtual scattering of intrinsic lattice excitations by the Tm{sup 3+} ions. (orig.) 22 refs.

International Nuclear Information System (INIS)

Precipitation-hardened single crystals of a beta (bcc) Ti--40 at. percent V--1.0 at. percent Si alloy were deformed in compression at 77 and 298"0K. The dependence of the yield stress upon aging time at 843"0K for solution-treated crystals shows two maxima which are caused by silicide precipitates. The orientation dependence of the yield stress and of the active macroscopic slip plane were determined as a function of aging time. The solution-treated as well as aged crystals exhibit an asymmetry of both the yield stress and the plane of slip, the degree of asymmetry being larger at 77 than at 298"0K. The asymmetry of slip and yielding is not affected by the presence of precipitation hardening. Results indicate that the effect of the dislocation core structure on dislocation motion is independent of the presence of precipitates. (auth).

Science.gov (United States)

With the help of self-assembly, thermal sintering, selective etching techniques and sol-gel process, the non-close packed (ncp) face-centered cubic (fcc) photonic crystals of titanium dioxide (TiO2) hollow spheres connected by TiO2 cylindrical tubes have been fabricated using silica template. The photonic bandgap calculations indicate that the ncp structure of TiO2 hollow spheres was easier to open the pseudogaps than close packed system at the lowest energy. PMID:17097102

International Nuclear Information System (INIS)

An annealing with the nanosecond laser light pulse is applied for crystal lattice reconstruction of a disturbed near-surface layer, which was created in semiconductor material as a result of the implantation process. Radiation with energy density higher than the threshold value causes the melting of the surface layer and than the epitaxial recrystallization from the melt on a different substrate. Structural changes occurring in the Ge implanted Si crystals after annealing with different energy densities are investigated by means of the cross-section high-resolution transmission electron microscopy. (author)

Energy Technology Data Exchange (ETDEWEB)

An analysis of the energy level structure of Cr{sup 3+} ions in Cs{sub 2}NaAlF{sub 6} crystal is performed using the exchange charge model (ECM) together with the crystal field analysis/microscopic spin Hamiltonian (CFA/MSH) computer package. Utilizing the crystal structure data, our approach enables modelling of the crystal field parameters (CFPs) and thus the energy level structure for Cr{sup 3+} ions at the two crystallographically inequivalent sites in Cs{sub 2}NaAlF{sub 6}. Using the ECM initial adjustment procedure, the CFPs are calculated in the crystallographic axis system centred at the Cr{sup 3+} ion at each site. Additionally the CFPs are also calculated using the superposition model (SPM). The ECM and SPM predicted CFP values match very well. Consideration of the symmetry aspects for the so-obtained CFP datasets reveals that the ...

CERN Document Server

We report an uncertainty evaluation of an optical lattice clock based on the $^1S_0\\leftrightarrow^3P_0$ transition in the bosonic isotope $^{174}$Yb by use of magnetically induced spectroscopy. The absolute frequency of the $^1S_0\\leftrightarrow^3P_0$ transition has been determined through comparisons with optical and microwave standards at NIST. The weighted mean of the evaluations is $\

Energy Technology Data Exchange (ETDEWEB)

Single crystals of trigonal Cr{sub 2}Te{sub 3}, monoclinic Cr{sub 5}Te{sub 8}, and trigonal Cr{sub 5}Te{sub 8} were prepared and the single crystal structures were determined. The structures are related to the NiAs structure type by successive removal of Cr in every second metal atom layer parallel to the c axis. The strong relationship between the structures is evidenced by their very similar X-ray powder patterns. In trigonal Cr{sub 2}Te{sub 3} excess Cr occupies only one of the two possible sites. In monoclinic Cr{sub 5}Te{sub 8} the Cr atoms occupy four different crystallographic sites. The resulting ordering of the vacancies is significantly different from the hitherto reported crystal structures of transition metal chalcogenides M{sub 5}X{sub 8}. A slight increase of the tellurium content leads to an order-disorder ...

Science.gov (United States)

Lecture notes (pdf) on Ceramics is part of a physics course on the properties of matter from the University of Auckland, Department of Chemical and Materials Engineering. The following topics are covered: types of chemical bonding, degree of ionic character, structure of ceramics and crystallography, interstitial sites in different crystal structures, silicate structures, glasses, glass transition temperature, glass viscosity, thermal and mechanical properties of ceramics and glasses, fracture properties of ceramics and processing of ceramic materials. Keywords: ionic bonds; covalent bonds; coordination numbers; thermal shock; grain growth; sintering; green body

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The morphological evolution of ripples formed on the surface of Cd2Nb2O7 pyrochlore single crystals by focused ion beam (FIB) bombardment was investigated using in situ electron microscopy. At high ion fluences and off-normal bombardment angles, faceted surface ripples with a terrace-like structure were observed. The ripple propagation direction was oriented along the projected ion beam direction at incident angles ranging from 35 to 65 following high-dose ion bombardment. One side of the terrace was found to be perpendicular to the incident ion beam direction, while the other side was parallel to the ion beam. The terrace propagation velocity and direction were determined and interpreted on the basis of this asymmetric structure. A model based on the propagation of a shock wave that effectively self-selects a stable slope, was developed in order to explain the observed faceted ripple formation.

CERN Document Server

Effect of a planar texture quality and its thickness on lasing spectrums and thresholds in dye-doped cholesteric liquid crystal (CLC) of steroid type is explored. Transition from the qualitative planar texture to the poor texture quality is accompanied by change of characteristic mode structures and by shift of barycentre in the long-wave side and the considerable growth of the lasing threshold. It is found that in the CLC texture created by substrates with perpendicular directions of orientation the stable single-mode lasing takes place. The nature of oscillated modes in such texture is caused by phase jump. The gained results show that in steroid CLC, unlike induced one, lasing spectrums is possible to feature with the coupled wave model. Key words: steroidal cholesteric liquid crystal, distributed feedback lasing, oscillation thresholds, phase defect of periodical structure, transmission and lasing ...

International Nuclear Information System (INIS)

A series of sputtered tungsten-carbon multilayer structures with periods ranging from 2 to 12 nm in the as-prepared state and after annealing at 500 degrees C for 4 hours has been studied with high resolution transmission electron microscopy. The evolution with annealing of the microstructure of these multilayers depends on their period.As-prepared structures appear predominantly amorphous from TEM imaging and diffraction. Annealing results in crystallization of the W-rich layers into WC in the larger period samples, and less complete or no crystallization in the smaller period samples. X-ray scattering reveals that annealing expands the period in a systematic way. The layers remain remarkably well-defined after annealing under these conditions.

International Nuclear Information System (INIS)

(#alpha#+#beta#)-SiALON ceramic composites are industrially important materials. Due to their unique chemistry, crystal structure and microstructural features, #alpha#-SiAlON has superior hardness while #beta#-SiALON offers high strength and toughness. The combination of the two phases enables materials engineers to design a ceramic where the physical properties of the composite can be tailored to a particular application. This article presents a general review of the crystal structures, fabrication and properties of the (#alpha#+#beta#)-SiALON composites with special highlights outlining how microstructural tailoring can control the properties of these advanced ceramic alloys. Copyright (1997) Institute of Metals and Materials Australasia Ltd.

British Library Electronic Table of Contents (United Kingdom)

The glasses with the composition of 37.5Li2O?(25?x)Fe2O3?xNb2O5?37.5P2O5 (mol%) (x=5,10,15) are prepared, and it is found that the addition of Nb2O5 is effective for the glass formation in the lithium iron phosphate system. The glass?ceramics consisting of Nasicon-type Li3Fe2(PO4)3 crystals with an orthorhombic structure are developed through conventional crystallization in an electric furnace, showing electrical conductivities of 3?10?6?Scm?1 at room temperature and the activation energies of 0.48?eV (x=5) and 0.51?eV (x=10) for Li+ ion conduction in the temperature range of 30?200??C. A continuous wave Nd:YAG laser (wavelength: 1064?nm) with powers of 0.14?0.30?W and a scanning speed of 10??m/s is irradiated onto the surface of the glasses, and the formation of Li3Fe2(PO4)3 crystals is c...

Energy Technology Data Exchange (ETDEWEB)

We report the experimental and theoretical results on the anisotropies in the magnetic properties and x-ray absorption spectra of single-crystal LiFePO4. A mean-field theory is developed to explain the observed strong anisotropies in Lande g-factor, paramagnetic Curie temperature, and effective moment for LiFePO4 single crystals. The values of the in-plane nearest- and next-nearest-neighbor spin exchange (J1 and J2), interplane spin exchange (J{perpendicular}), and single-ion anisotropy (D), obtained recently from neutron scattering measurements, are used for calculating the Curie temperatures with the formulas derived from the mean-field Hamiltonian. It is found that the calculated Curie temperatures match well with that obtained by fitting the magnetic susceptibility curves to the modified Curie-Weiss law. For the polarized Fe K-edge x-ray absorption spectra of single-crystal LiFePO4, a different feature assignment for ...

International Nuclear Information System (INIS)

A novel sodium lead pentaborate, NaPbB5O9, has been successfully synthesized by standard solid-state reaction. The single-crystal X-ray structural analysis showed that NaPbB5O9 crystallizes in the monoclinic space group P21/c with a=6.5324(10) A, b=13.0234(2) A, c=8.5838(10) A, ?=104.971(10)o, and Z=4. The crystal structure is composed of double ring [B5O9]3- units, [PbO7] and [NaO7] polyhedra. [B5O9]3- groups connect with each other forming two-dimensional infinite ?[B5O9]3- layers, while [PbO7] and [NaO7] polyhedra are located between the layers. [PbO7] polyhedra linked together via corner-sharing O atom forming novel infinite ?[PbO6] chains along the c axis. The thermal behavior, IR spectrum and the optical diffuse reflectance spectrum of NaPbB5O9 were reported. -- Graphical abstract: A new phase, NaPbB5O9, has been discovered in the ternary M2O-PbO-B2O3 (M=alkali-metal) system. ...

International Nuclear Information System (INIS)

A unique feature of cyanobacteria genomes is the abundance of genes that code for hypothetical proteins containing tandem pentapeptide repeats approximately described by the consensus motif A(N/D)LXX. To date, the structures of two pentapeptide-repeat proteins (PRPs) have been determined, with the tandem pentapeptide-repeat sequences observed to adopt a novel type of right-handed quadrilateral ?-helix, or Rfr-fold, in both structures. One structure, Mycobacterium tuberculosis MfpA, is a 183-residue protein that contains 30 consecutive pentapeptide repeats and appears to offer antibiotic resistance by acting as a DNA mimic. The other structure, Cyanothece 51142 Rfr32, is a 167-residue protein that contains 21 consecutive pentapeptide repeats. The function of Rfr32, like the other 35 hypothetical PRPs identified in the genome of Cyanothece, is unknown. In an effort to understand the role of PRPs in ...

International Nuclear Information System (INIS)

Biaxially textured tungsten nanorods (A15 crystal structure) have been grown by oblique angle DC magnetron sputtering using a novel rotation mode called 'two-step rotation'. In this mode, the substrate is given a fast rotation through 1800 at 90 rpm and this is followed by a rest period of 30 s. These nanorods are vertically aligned and have a [100] texture normal to the substrate along with preferential in-plane texture as shown by x-ray pole figure analysis. In contrast, the tungsten nanorods obtained without substrate rotation are slanted at an angle of ?450 and have a [100] texture tilted 160 with respect to the substrate normal. The flux is incident from two diametrically opposite points on the sample at an oblique angle, averaging out the growth into vertical columns that retain the in-plane texture. Scanning electron microscopy shows that the tungsten nanorods have a mixture of {211} and {421} crystal habits; these ...

Energy Technology Data Exchange (ETDEWEB)

In this review, the most important inorganic natural gels are presented: opal, aluminosilicate (allophanes) and hydrous iron oxides and silicates. It is demonstrated that natural gels are ordered at the atomic scale. In allophanes, Al is distributed between octahedral and tetrahedral sites. The amount of Al increases as Al/Si ratio decreases. Si-rich allophane have a local structure around Al and Si very different of that is known in kaolinite or halloysite. Transformation of Si-rich allophanes to crystallized minerals implies dissolution-recrystallization processes. On the contrary, in iron silicate with Fe/Si = 0.72, Si and Fe environments are close to those found in nontronite. The gel transformation to Fe-smectite may occur by long range ordering during ageing. In ferric silicate gels, the similarity of local structure around Fe in poorly ordered precursors and what is known in crystallized minerals ...

Energy Technology Data Exchange (ETDEWEB)

Here we present evidence that in water/acetonitrile solvent detailed structural and dynamic information can be obtained for important proteins that are naturally present as oligomers under native conditions. An NMR-derived human insulin monomer structure in H{sub 2}O/CD{sub 3}CN, 65/35 vol%, pH 3.6 is presented and compared with the available X-ray structure of a monomer that forms part of a hexamer (Acta Crystallogr. 2003 Sec. D59, 474) and with NMR structures in water and organic cosolvent. Detailed analysis using PFGSE NMR, temperature-dependent NMR, dilution experiments and CSI proves that the structure is monomeric in the concentration and temperature ranges 0.1-3 mM and 10-30 deg. C, respectively. The presence of long-range interstrand NOEs, as found in the crystal structure of the monomer, provides the evidence for conservation of the ...

International Nuclear Information System (INIS)

The crystal structure of borophosphates ABPO_5 (A = alkaline earth or Pb) was resolved on a polycrystalline sample using the Rietveld method. The x-ray diffraction patterns data show that ABPO_5 crystallize in a centrosymmetric space group P3_121 and their structure is related to the borogermanates REBGeO_5 with a stillwellite-type structure. Pr"3"+ ion was used as a local structural probe to corroborate the structural resolution results. Absorption and fluorescence spectra of A_1_-_xPr_xBP_1_-_xGe_xO_5 (A alkaline earth or Pb; x = 0.05) have been investigated at different temperatures. At 9 K the 3"H_4#->#"3P_0 transition of trivalent praseodymium ion (4f"2 configuration) is observed as a single line. This indicates a unique crystallographic site for the rare earth ion in these compounds replacing the divalent cation. Energy level ...

UK PubMed Central (United Kingdom)

A mixed copper complex with deprotonated nalidixic acid (nal) and histamine (hsm) was synthesized and characterized by FTIR, UV-Vis, elemental analysis, and conductivity. The crystal structure of [Cu(hsm)(nal)H₂O]Cl·3H₂O...Full Text Available

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Certain transition metal chalcogenides are promising materials for use as cathodes in nonaqueous lithium batteries involving the intercalation into these layered compounds. The electrochemical behavior of the chalcogenides depends on various properties such as structure, stoichiometry, electrical conductivity, crystal morphology, etc. The influence of these properties and of the ultimate practical application of the battery on the selection of cathode material is discussed. Battery performance of selected cathode materials is discussed and life limitations due to the limited cycle life of lithium anodes are outlined. 15 refs.

Energy Technology Data Exchange (ETDEWEB)

Nano-sized particles of a lithium ion conductive solid electrolyte, LiTi{sub 2}(PO{sub 4}){sub 3}, were prepared by laser ablation. The obtained particles were ca. 10nm in diameter. X-ray powder diffraction and Raman spectroscopy showed that they were amorphous with local structure similar to the crystalline counterpart. They were crystallized by the heating at ca. 630{sup o}C. (author)

Science.gov (United States)

The new three-dimensional k.p model for the electronic structure of A-15 compounds gives satisfactory results for the magnetic susceptibility; shear modulus; tetragonal strain at the transition temperature Tm; and the magnetic field effect on Tm and shear mode sound velocity. Supported by NSF grant # DMR76-02043.

International Nuclear Information System (INIS)

The crystal structure of outer surface protein A (OspA) from Borrelia burgdorferi contains a single-layer #beta#-sheet connecting the N- and C-terminal globular domains. The central #beta#-sheet consists largely of polar amino acids and it is solvent-exposed on both faces, which so far appears to be unique among known protein structures. We have accomplished nearly complete backbone H, C and N and C";/H"#beta# assignments of OspA (28 kDa) using standard triple resonance techniques without perdeuteration. This was made possible by recording spectra at a high temperature (45 "oC ). The chemical shift index and "1"5N T_1/T_2 ratios show that both the secondary structure and the global conformation of OspA in solution are similar to the crystal structure, suggesting that the unique central #beta#-sheet is fairly rigid.

British Library Electronic Table of Contents (United Kingdom)

Crystalline bis(O,O'-di-sec-butyldithiophosphato)platinum(II) was prepared and studied by means of 13C, 31P CP/MAS NMR spectroscopy and single-crystal X-ray diffraction. The unit cell of the platinum(II) compound is comprised of one centrosymmetric mononuclear molecule [Pt{S2P(O-sec-C4H9)2}2], in which the dithiophosphate groups display structural equivalence in both 31P NMR and XRD data. A pair of the dithiophosphate ligands exhibit the same S,S'-bidentate chelating structural function and form two planar four-membered chelate rings, [PtS2P], in this molecule. The planar configuration of the [PtS4] chromophore in structure 1 is governed by the dsp2-hybrid state of platinum(II). The structural states of the dithiophosphate groups in two different samples of complex 1 (one crystallised from...

Energy Technology Data Exchange (ETDEWEB)

The exchange charge model (ECM) of crystal field is utilized to provide the theoretical explanation of the ground state absorption and the excited state absorption observed for the octahedrally coordinated Ni{sup 2+} ions in the spinel MgAl{sub 2}O{sub 4}. The ECM enables modeling of the crystal field parameters (CFPs) for the impurity ions based on the crystal structure data of the host lattice. To ensure the reliability of the CFPs, the convergence of the CFP values with the increasing number of the coordination spheres taken into account in the ECM calculations is considered. The trigonal CFPs B{sub 2}{sup 0},B{sub 4}{sup 0}andB{sub 4}{sup -3} determined by the ECM, together with the appropriate Racah parameters B and C, serve as input to two crystal field analysis computer packages, which compute the energy level schemes within the whole 3d{sup 8} configuration. The cubic ...

Energy Technology Data Exchange (ETDEWEB)

For several decades most of the efforts to develop new scintillator materials have concentrated on high-light-yield inorganic single-crystals while polycrystalline ceramic scintillators, since their inception in the early 1980 s, have received relatively little attention. Nevertheless, transparent ceramics offer a promising approach to the fabrication of relatively inexpensive scintillators via a simple mechanical compaction and annealing process that eliminates single-crystal growth. Until recently, commonly accepted concepts restricted the polycrystalline ceramic approach to materials exhibiting a cubic crystal structure. Here, we report our results on the development of two novel ceramic scintillators based on the non-cubic crystalline materials: Lu SiO:Ce (LSO:Ce) and LaBr:Ce. While no evidence for texturing has been found in their ceramic microstructures, our LSO:Ce ceramics exhibit a surprisingly ...

Energy Technology Data Exchange (ETDEWEB)

The authors continued their efforts in studying the mechanism of carbalkoxylation of {sigma}-vinyls bound to platinum(II). In this work, the focus was specifically on the reductive elimination of {alpha},{beta}-unsaturated carboxylic esters form the carbonylated, alkoylated intermediates. Crystal structures of the carbonylated (12) and alkoxylated (13) intermediates were reported. Kinetic and NMR studies indicate that reductive elimination proceeds via a preequilibration involving phosphine dissociation, followed by a rate-determining trans-cis isomerization. 35 refs., 3 figs., 5 tabs.

Energy Technology Data Exchange (ETDEWEB)

This thesis dealt with the metal-organic gas phase epitaxy with nitrogen as carrier gas. For this first by means of three-dimensional modelings of the epitaxy process the influence of the carrier gas on the processes was explained. The optimization of the growth parameter for the whole light-emitting-diode structure in double-hetero arrangement resulted that an a temperature of 770 C and a V/ III-ratio of 150 layers with a high crystal quality could be reached.

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An investigation of the solidification behavior was carried out on the directionally solidified single crystal superalloy CMSX 6. The relationship between structure morphology and the process parameters has been experimentally determined and illustrated in a solidification diagram. The metallographic analyses of transverse sections within the solidification interval yield the sequence of phase formation and the evolution of solid fraction. The solidification process and the corresponding structure have been discussed in detail. (orig.)

Science.gov (United States)

The total area ( s m) of Voronoi-Dirichlet polyhedron faces corresponding to all intermolecular contacts of one molecule in the structure of crystals and the total volume of pyramids ( V m) built on such faces and containing the nuclei of atoms participating in intermolecular contacts in their vertices were determined for 19 unsaturated hydrocarbons. The differential molar heat of adsorption of the hydrocarbons on graphitized thermal carbon black was found to be linearly related to the s m or V m integral parameters of their Voronoi-Dirichlet polyhedra. Aromatic hydrocarbons on the one hand and saturated hydrocarbons, olefins, and acetylene on the other are characterized by different dependences because of the special shapes of their molecular Voronoi-Dirichlet polyhedra.

International Nuclear Information System (INIS)

Free Electron Laser (FEL) with wide wavelength tunability has been developed and used for various applications. We report the structural-changes in P-ion-implanted diamond when we can achieve resonant excitation of the vibrations of specific bonds in the lattice of target (P-C) by using FEL. The change of property was analyzed by SIMS and Raman spectroscopy. After 5.8 #mu#m-FEL irradiation, we observed the crystallization of amorphous structure which was induced by P-ion-implantation. These results indicated the FEL annealing of diamond at room temperature. (Copyright (c) 1998 Elsevier Science B.V., Amsterdam. All rights reserved.)

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The electron momentum density is measured applying positron annihilation and Compton spectroscopy in order to get information about electron wave functions. Compton spectroscopic measurements of Pd-Ag and Cu-Zn alloy systems are carried out taking into account crystal structure, mixability, and order state. Three-dimensional momentum densities of silicon are determined in order to get better information about its electronic structure. The momentum density and the spin density of ferromagnetic nickel are investigated using angular correlation curves.

Energy Technology Data Exchange (ETDEWEB)

The structure of ammonium azide (NH{sub 4})N{sub 3} was (re-)determined ab initio from x-ray powder diffraction experiment using synchrotron radiation. We tried to detail and comment the different steps involved in the structure determination. The compound crystallize in the orthorhombic Pmna space group (no.53) with a = 8.937(1) A, b= 3.8070(5) A, c = 8.664(1) A, V = 294.79(7) A{sup 3}; Z= 4. It was possible to locate and refine the hydrogen coordinates, in two different approaches, and to establish the H-bonds. The final structural parameters are in good agreement with previous results based on three-dimensional neutron diffraction. (Author)

Science.gov (United States)

... dWUpkVaqnnd`dcXegkjcncllYck^uWcmfiebvqqhdydlf_kt`bgn^atdWm Uhw^kb]~\\peg ui\\[ n`XmRV[VY^YbSO`\\x nZZW_`fXrnhpb]fo_madl^_^Wc sg~\\tmjXb]l_^jrekioohc[hbcfcxm ...

Energy Technology Data Exchange (ETDEWEB)

The {sup 176}Ybn,{gamma}{sup 177}Yb-{beta}{sup -}{yields}{sup 177}Lu process was investigated to provide no-carrier-added (nca) {sup 177}Lu. The radiochemical separation of the {sup 177}Lu from the macro-amounts of the ytterbium target based on the cementation process, i.e. the selective extraction of Yb by Na(Hg) amalgam from Cl{sup -}/CH{sub 3}COO{sup -} electrolytes, followed by a final cation exchange purification. The cementation separation process provides a decontamination factor of Yb(III) of 10{sup 4}, the cation exchange purification adding a decontamination factor of >10{sup 2}. The nca {sup 177}Lu is available in radiochemically pure form despite the chemical similarity of the lanthanides with 75{+-}5% overall separation yield within 4-5 h. It can be used to synthesise nca {sup 177}Lu labelled radiotherapeuticals.

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The statistical {gamma}-spectra of highly excited even-even rare earth nuclei are simulated applying appropriate level density and strength function to a given nucleus. Hindrance effects due to K-conservation are taken into account. Simulations are compared to experimental data from the {sup 163}Dy({sup 3}He,{alpha}){sup 162}Dy and {sup 173}Yb({sup 3}He,{alpha}){sup 172}Yb reactions. The influence of the K quantum number at higher energies is discussed. 21 refs., 7 figs., 2 tabs.

Energy Technology Data Exchange (ETDEWEB)

We compare experimental measurements of inhomogeneous plastic deformation in a Ni bicrystal with crystal-plasticity simulations. Polychromatic X-ray microdiffraction, orientation imaging microscopy and scanning electron microscopy, were used to characterize the geometrically necessary dislocation distribution of the bicrystal after uniaxial tensile deformation. Changes in the local crystallographic orientations within the sample reflect its plastic response during the tensile test. Elastic strain in both grains increases near the grain boundary. Finite element simulations were used to understand the influence of initial grain orientation and structural inhomogeneities on the geometrically-necessary dislocations arrangement and distribution and to understand the underlying materials physics.

International Nuclear Information System (INIS)

The spectroscopic properties of Pr"3"+ doping two lanthanum chlorotungstate hosts: the orthorhombic LaWO4Cl (1-1) and the hexagonal La3WO4Cl6 (3-1), as well as those of PrWO4Cl and Pr3wO613 have been investigated. The simulations of the energy level schemes are carried out within the crystal field theory frame. Each simulation involves 7 free ion parameters and 14 non-zero crystal field parameters (cfps), corresponding to the C_s point symmetry of the site occupied by the rare earth, in both structures.

International Nuclear Information System (INIS)

The thermal transformation of Al-base icosahedral phases was studied in-situ by real time neutron powder diffraction. Different compositions have been selected in order to vary the initial phase morphology and change the neutron scattering contrast between species. Alloys with low silicon and large aluminium contents produce first the orthorhombic O-Al_6Mn modification. In alloys with larger silicon content, the #alpha#-AlMnSi cubic phase appears soon after the beginning of the transformation but is still preceeded by O-Al_6Mn. Depending on compositions, the crystallization of the icosahedral phase is controlled either by the diffusion of Al through its interface with the residual fcc aluminium or that of Si within the bulk. The results are discussed in the light of current structural models. (author) 40 refs., 14 figs., 3 tabs.

Energy Technology Data Exchange (ETDEWEB)

Magnesium alloys are ideal candidates to benefit from equal channel angular extrusion (ECAE) because of their poor forming characteristics due to a hcp structure. In this study, ECAE processing was applied to ZK31 and AZ31 magnesium alloys under various conditions. The grain size of as-ECAE specimens decreases with decreasing the processing temperature, however, the grain size decreases slightly with increasing number of repetitive processing. Both the tensile strength and 0.2% proof stress of as-ECAE specimens are high when processed at low temperature, but the elongation is high when processed at high temperature. Crystal orientation is different in the two alloys and it also varies according to the processing temperature for the two alloys. The difference of the crystal orientation influences the tensile properties, especially 0.2% proof stress. (orig.)

International Nuclear Information System (INIS)

The effect of various hydrogen concentrations on the crystal lattice period and the hardness of titanium alloy was examined, the alloy containing about 16 at.% Mo (27.5 wt. % Mo) and having #beta# structure. The peculiar features of the mechanism of plastic deformation of the alloy were studied after adding hydrogen to it. A dependence of the crystal lattice period on the concentration of hydrogen was obtained for TixMoxH_2 alloy. It has been established that the hardness of the Ti-Mo alloy does not change when hydrogen is added to it. The presence of hydrogen introduces changes into the mechanism of deformation of #beta#-titanium alloy. The configuration of the inverse pole figures after rolling proves that the transverse slip process in an alloy with hydrogen is hampered, and that the coplanar slip process is developing in it.

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Crystals of disamarium rhenium (IV) pentoxide, Sm{sub 2}ReO{sub 5}, were obtained by subsolidus reaction of samariumsesquioxide and rheniumdioxide (ratio 1:1) in sealed Pt 10Rh tubes at 1673 K. The structure was determined by single-crystal X-ray diffraction. Sm{sub 2}ReO{sub 5} crystallizes in the tetragonal system with unit cell dimensions a = 8.646(3) {angstrom} and c = 5.747(2) {angstrom} and space group P4/n (no. 85) with Z = 4. The structure consists of isolated RE{sub 2}O{sub 8} groups and the (Sm{sub 4}O) chains are inter-connected by common oxygen atoms to form a three-dimensional network. Each Re{sub 2}O{sub 8} group is composed of a pair of rhenium each surrounded by four oxygens with a short Re-Re distance of 2.251(1) {angstrom} indicating a metal-metal bond. Rhenium has the formal oxidation state of +4. The observed magnetizations in the temperature range 1.8 < T ...

British Library Electronic Table of Contents (United Kingdom)

Copper(II) complex coordinated with cyclam-type macrocyclic tetramine, C-meso-1,5,8,12-tetramethyl-1,4,8,11-tetraazacyclotetradecane (2Cdmc) has been synthesized and characterized by single crystal X-ray crystallographic analysis and UV?Vis absorption spectra. Solved molecular structure of [Cu(2Cdmc)(H2O)]Cl2?2H2O (1) revealed that macrocyclic ligand 2Cdmc was in the most stable trans-III structure, but the C-methyl groups of 2Cdmc adopted energetically unfavorable axial configuration (C-axial). This complex 1 is the second example of complex of cyclam-type tetramine with only axially oriented C-methyl groups. This complex adopted five-coordinated square-pyramidal geometry with one water molecule occupying one of the two apical sites. Network of hydrogen bonds involving counter anions (Cl?...

International Nuclear Information System (INIS)

Magnetic properties of the Al1-xGaxFeO3 family of oxides crystallizing in a non-centrosymmetric space group have been investigated in detail along with structural aspects by employing X-ray and neutron diffraction, Moessbauer spectroscopy and other techniques. The study has revealed the occurrence of several interesting features related to unit cell parameters, site disorder and ionic size. Using first-principles density functional theory based calculations, we have attempted to understand how magnetic ordering and related properties in these oxides depend sensitively on disorder at the cation site. The origin and tendency of cations to disorder and the associated properties are traced to the local structure and ionic sizes. -- Graphical abstract: We have studied both experimentally and theoretically the important role of disorder at the cation site on magnetic and related properties of the Al1-xGaxFeO3 family of oxides ...

Energy Technology Data Exchange (ETDEWEB)

Spot 14 (S14) is a protein that is abundantly expressed in lipogenic tissues and is regulated in a manner similar to other enzymes involved in fatty acid synthesis. Deletion of S14 in mice decreased lipid synthesis in lactating mammary tissue, but the mechanism of S14's action is unknown. Here we present the crystal structure of S14 to 2.65 {angstrom} and biochemical data showing that S14 can form heterodimers with MIG12. MIG12 modulates fatty acid synthesis by inducing the polymerization and activity of acetyl-CoA carboxylase, the first committed enzymatic reaction in the fatty acid synthesis pathway. Coexpression of S14 and MIG12 leads to heterodimers and reduced acetyl-CoA carboxylase polymerization and activity. The structure of S14 suggests a mechanism whereby heterodimer formation with MIG12 attenuates the ability of MIG12 to activate ACC.

International Nuclear Information System (INIS)

Three new rare earth metal-rich compounds, Gd_4NiTe_2, and Er_5M_2Te_2 (M=Ni, Co), were synthesized in direct reactions using R, R_3M, and R_2Te_3 (R=Gd, Er; M=Co, Ni) and single-crystal structures were determined. Gd_4NiTe_2 is orthorhombic and crystallizes in space group Pnma with four formula units per cell. Lattice parameters at 110(2)K are a=15.548(9), b=4.113(2), c=11.7521(15)A. Er_5Ni_2Te_2 and Er_5Co_2Te_2 are isostructural and crystallize in the orthorhombic space group Cmcm with two formula units per cell. Lattice parameters at 110(2)K are a=3.934(1), b=14.811(4), c=14.709(4)A, and a=3.898(1), b=14.920(3), c=14.889(3)A, respectively. Metal-metal bonding correlations were analyzed using the empirical Pauling bond order concept.

International Nuclear Information System (INIS)

Ternary R_2TSi_3 intermetallic compounds (R=Rare Earth, T=Transition Metal) with hexagonal AlB_2-type crystallographic structure are known because of their interesting physical properties. Pr_2PdSi_3 single crystals were grown by a vertical floating zone method. The compound exhibits congruent melting behavior at a liquidus temperature of about 1770 C. Single crystalline samples show a huge anisotropy at low temperatures due to the crystal electric field effect and order antiferromagnetically below the Neel temperature T_N=2.17 K. This value approximately obeys the linear de Gennes scaling for this class of compounds. The [001] orientation was identified as the magnetic easy axis at room temperature. At lower temperature (#approx#20 K) magnetic easy and hard axes interchange with each other. Two additional magnetic phase transitions were observed at temperatures below 1 K.

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A phenomenological simulation was carried out for 41 experimental crystal-field (CF) levels within the {sup 4}I{sub 9/2-15/2}, {sup 4}F{sub 3/2-9/2}, {sup 4}S{sub 3/2} and {sup 2}H{sub 9/2} J manifolds, including the available infrared (IR) data up to {approx}15 000 cm{sup -1} for the Nd{sup 3+} ions in the Nd{sub 2}CuO{sub 4} single crystals. The CF Hamiltonian for the tetragonal C{sub 4v} symmetry was diagonalized together with the free-ion Hamiltonian in a basis that spans the entire 4f{sup 3} configuration. A rms error of 9 cm{sup -1} between the calculated and experimental energy level schemes was obtained. A comparison of the spectra in the visible region between the insulating Nd{sub 2}CuO{sub 4} and the metallic Nd{sub 2-x}Ce{sub x}CuO{sub 4}, allowed identifying the absorption bands associated with the development of the charge-doping induced local structural distortions in the superconducting regime.

International Nuclear Information System (INIS)

NaCl doped MgCl_2.nEtOH adducts were prepared by ball-milling MgCl_2.2.5EtOH with NaCl. Both the ball-milled MgCl_2.nEtOH/NaCl mixture and pure MgCl_2.2.5EtOH adducts were analyzed by X-ray diffraction (XRD), transmission electron microscope (TEM), thermogravimetry (TG) and differencial scanning calorimetry (DSC). A simple MgCl_2.nEtOH/NaCl mixture without ball-milling treatment was also studied for comparison. Two kinds of mixed crystals, Na_2MgCl_4 and NaMgCl_3, were found to be formed in a ball-milled mixture that contained 16 mol.% NaCl. TG and DSC analysis of the samples also provided indirect evidences supporting the presence of the mixed crystals in the ball-milled mixture. Adding certain amounts of NaCl in MgCl_2.2.5EtOH adduct, either by co-milling or by simple mixing, greatly increased the thermal stability of the adduct, but thermal decomposition behaviour of the ball-milled mixture was still different from that of a simple mixture.

British Library Electronic Table of Contents (United Kingdom)

Abstract A facile and efficient single-step mineralization approach was exploited for achieving nanoscopic hydroxyapatite (HAP) crystal layer in chitosan porous matrix, wherein a mixed water-ethanol solvent was used to control the growth of minerals. The crystallographic structure, morphology, and mechanical properties of the scaffold were analyzed with XRD, FTIR, environmental scanning electric microscopy (ESEM), TEM, and compression tests. The behaviors and responses of MC3T3-E1 pre-osteoblast cells on the scaffolds were studied as well. The results showed that the scaffolds kept woodpile structure with predefined and controlled hierarchical structure after mineralization. The inorganic phase in the mineralized chitosan scaffolds was determined as pure rod-like HAP, which settled densely...

Energy Technology Data Exchange (ETDEWEB)

The crystal structure of Ca{sub 2}RuD{sub 6} has been determined by neutron powder diffraction: space group Fm3m, K{sub 2}PtCl{sub 6} structure, as found for other hexahydride salts of group 8 metals with alkaline earth or lanthanide counter ions. No structural phase transition was observed between 340 K and 50 K. The deuterium nuclear quadrupole coupling constant, 54.7 kHz, leads to an ionic character of the Ru-D bond of 76%. The known trends in the behaviour of A{sub 2}MH{sub 6} salts are interpreted in terms of the ionization energies of the cation and the central metal atom.

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 ...

International Nuclear Information System (INIS)

The paper studies the effect of crystal structure of LiNbO_3 monocrystals on NMR spectra of "7 Li and "9"3 Nb. Models of defect structure are analyzed via comparison of NMR experimental spectra and gradients of electrical field predicted on the basis of the calculations on "7 Li and "9"3 Nb nuclei using the relevant model. It is shown that no one of the main models of lithium niobate defect structure explains the peculiarities of NMR spectra. Conclusions are made about the independence of the reasons of occurrence of NMR additions lines "7 Li and "9"3 Nb, as well as, about links of "9"3 Nb NMR weak additional lines with the ranges of a different crystalline phase that may form while growing. 18 refs., 2 figs., 3 tabs.

International Nuclear Information System (INIS)

We have studied the structure of both propanol isomers in their glassy and crystalline states by neutron diffraction. The glass-transition temperatures of 1- and 2-propanol are about 98 and 115 K, respectively and, surprisingly, even larger differences are observed for the melting temperatures of the stable crystals, which are 148 and 185 K, respectively. Their supercooled liquid phases show rather different relaxation spectra, 1-propanol manifesting strong deviations from Debye behavior, whereas 2-propanol shows a far weaker effect. We discuss the spectra obtained for the static structure factor and the static pair correlation function D(r). There is a noticeable difference in the position of the first sharp diffraction peak, which clearly indicates a density change, well correlated with the period of the intermolecular oscillations shown by D(r). (orig.)

Energy Technology Data Exchange (ETDEWEB)

Er{sub 3}NbO{sub 7} phosphor was synthesized by sintering a mixture of Er{sub 2}O{sub 3} and Nb{sub 2}O{sub 5} powder in a molar ratio of 3:1 at 1600 deg. C over 55 h. Optical absorption and emission characteristics of Er{sup 3+} ions in the calcined Er{sub 3}NbO{sub 7} powder were investigated and discussed compared with ErNbO{sub 4} phosphor and a Z-cut congruent Er (2 mol%):LiNbO{sub 3} single crystal. The absorption and emission studies show that, due to different crystal structures, the spectroscopic properties of these niobates have some differences in spectral shape, peak position, and relative intensity, especially at 1.5 {mu}m. The most obvious spectral feature of the Er{sub 3}NbO{sub 7} is that the spectral structure of band instead of peak is observed in its absorption or emission spectrum due to the existence of local structural disorder and multiple Er{sup 3+} sites. ...

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Human senescence marker protein 30 (SMP30), which functions enzymatically as a lactonase, hydrolyzes various carbohydrate lactones. The penultimate step in vitamin-C biosynthesis is catalyzed by this enzyme in nonprimate mammals. It has also been implicated as an organophosphate hydrolase, with the ability to hydrolyze diisopropyl phosphofluoridate and other nerve agents. SMP30 was originally identified as an aging marker protein, whose expression decreased androgen independently in aging cells. SMP30 is also referred to as regucalcin and has been suggested to have functions in calcium homeostasis. The crystal structure of the human enzyme has been solved from X-ray diffraction data collected to a resolution of 1.4 {angstrom}. The protein has a 6-bladed {beta}-propeller fold, and it contains a single metal ion. Crystal structures have been solved with the metal site bound with either a Ca{sup 2+} or a ...

Science.gov (United States)

Pentaerythritol tetranitrate (PETN) is a relatively sensitive explosive used in many electroexplosive devices as well as in medicine. Of primary interest to LLNL is its use in items such as exploding bridgewire (EBW) detonators and exploding bridge foil initiators (EFI). In these devices the crystalline powder is pressed into a granular, low-density compact that can be initiated by an exploding wire or foil. The long-term stability of this pressed compact is of interest to weapon stockpile lifetime prediction studies. Key points about potential aging mechanisms can be summarized as follows: (1) There are a number of factors that can contribute to PETN instability. These include particle size, polymorphic phase transitions, crystal structure, impurities, moisture, occlusions, chemical incompatibility and biological (microorganism) action. of these factors the most important for long-term aging of high surface area powders used in detonators ...

International Nuclear Information System (INIS)

The concept of nanocrystal conversion chemistry, which involves the use of pre-formed nanoparticles as templates for chemical transformation into derivative solids, has emerged as a powerful approach for designing the synthesis of complex nanocrystalline solids. The general strategy exploits established synthetic capabilities in simple nanocrystal systems and uses these nanocrystals as templates that help to define the composition, crystal structure, and morphology of product nanocrystals. This article highlights key examples of 'conversion chemistry' approaches to the synthesis of nanocrystalline solids using a variety of techniques, including galvanic replacement, diffusion, oxidation, and ion exchange. The discussion is organized according to classes of solids, highlighting the diverse target systems that are accessible using similar chemical concepts: metals, oxides, chalcogenides, phosphides, alloys, intermetallic compounds, sulfides, and ...

International Nuclear Information System (INIS)

The band structure (BS) of crystalline Bi_2Se_2Te both pure as well as deposited on Si or SiO_2 (substrates) was calculated for the first time. The calculation approach consists of an orthogonalization of the plane wave basis set with respect to the core-like orbitals and the application of the Perdew-Alder exchange-correlation scheme. In addition, a virtual crystal approach was applied. Experimental ellipsometric spectra were used as a criterion of the advantages of the different calculation techniques. The results of traditional one-electron methods of BS calculations, using norm-conserving pseudo-potential (NCPP), and full linear augmented plane wave (FLAPW), were compared with the experimental data. Better agreement with experiment is achieved when the NCPP wave functions are orthogonalized to the 4dBi core-like states. Concerning the LMTO and the FLAPW all-electron methods, only appropriate application of the virtual ...

International Nuclear Information System (INIS)

The crystal structure and phonon densities of states (DOS) of #beta#'-SiAlON ceramics, Si_6_-_zAl_zO"zN_8_-_z (0 #<=# z #<=# 4), prepared by a novel slipcast method, are studied by neutron-scattering techniques. The samples with z < 4 form a single-phase solid solution of Si-Al-O-N isostructural to #beta#-Si_3N_4 (space group P6_3/m). A consistent preferential occupation of the 2c sites by oxygen atoms and the 6h sites by nitrogen atoms exists within this structure. The phonon DOS of #beta#'-SiAlON displays phonon bands at #approx#50 and 115 meV. These features are considerably broader than the corresponding ones in #beta#-Si_3N_4 powder.

Energy Technology Data Exchange (ETDEWEB)

The batchwise preparation of molecular sieves for methanol conversion shows some inconsistency in catalytic stability. This is a result mainly of the change of SiO/SUB/2/Al/SUB/2O/SUB/3 in ion exchange to an H-type sieve. The dealumination during ion exchange depends upon crystal size and structural factors, which can be characterised by the cyclohexane adsorption of the raw molecular sieve. A high SiO/SUB/2/Al/SUB/2O/SUB/3 H-molecular sieve can be prepared from a molecular sieve of high adsorption capacity, this leading to a catalyst of higher stability. (4 refs.)

Energy Technology Data Exchange (ETDEWEB)

The first successful application of a new method to investigate phase transformations in real time, like the decomposition of austenite into bainite in grey iron, is described. During the ongoing transformation, transmission spectra of thermal neutrons, which contain Bragg edges corresponding to the crystal structure of the transforming phases, are recorded. By evaluating the height of these Bragg edges, which is a measure of the volume fraction of the phase, at different transformation times, the transformation can be followed in-situ in a time resolved manner. The method is compared to other previously used methods (micrographs, dilatometry, diffraction techniques); also a summary and an outlook are given. ((orig.))

International Nuclear Information System (INIS)

Crystallization points of aqueous solution of the systems M(ClO_4)_2-H_2O (M"2 = Mg"2"+, Ca"2"+, Sr"2"+, Ba"2"+), depending on the salt concentration, were identified by visual-polythermal method. Relying on model notions on the structure of the electrolyte solutions, specific features of strontium perchlorate solubility polytherm and concentration dependence of the relative dynamic viscosity of the salt aqueous solutions are discussed

Energy Technology Data Exchange (ETDEWEB)

Magnetic behavior in three compounds RTa{sub 3}O{sub 9} (R = Nd, Eu and Ho) with defect-perovskite structures has been investigated by DC magnetic susceptibility. The susceptibility of NdTa{sub 3}O{sub 9} shows strong influence of crystal field. For EuTa{sub 3}O{sub 9} a typical Van Vleck paramagnetism has been observed. HoTa{sub 3}O{sub 9} obeys a Curie-Weiss law above 20 K. (orig.) 8 refs.

Energy Technology Data Exchange (ETDEWEB)

In order to improve the capacity and service life of cathodes, the effect of carboxy-methyl cellulose, soot, silica gel and fibres was examined. Structural tests and electrical and electro-chemical measurements are used for this. The additives can affect crystallization in the manufacturing stage of the electrodes and can increase the storage capacity for water and the electronic conductivity. They act to stabilize the mass in cyclic operation. Soot additive has little effect on the properties of the electrode, but the other substances increase the service life or the use of the mass. (LU).

International Nuclear Information System (INIS)

Recently, a superconducting cryo-electron microscope in which specimens are cooled to the liquid helium temperature (4.2 K) has been developed. The main components and functional features of this new microscope are reported together with application data on polyethylene, poly (4-methyl-1-pentene), valonia cellulose, rock salt, ice crystallites and ceramic superconductor. The resistance to electron radiation damage, of beam-sensitive specimens including polymers has been increased more than ten times. Thus, the microscope has made it possible to take high resolution images and to analyze the crystal-structure of micro-areas. (orig.).

Energy Technology Data Exchange (ETDEWEB)

The experimental results of the components substitution effect on crystal structure, electronic transport properties, and Eu effective valence in solid solutions based on EuCu{sub 2}Si{sub 2} and EuPd{sub 2}Si{sub 2} ternary compounds are presented. It is shown, that when the Eu effective valence reaches the critical value {nu}{sup cr}{sub eff}=2.1, corresponding to degeneration of the 4f{sup 7} and 4f{sup 6} configurations, the condition of the concentrated Kondo system and an essential perturbation of the band electron spectrum near the Fermi level occur. (orig.).

International Nuclear Information System (INIS)

A new study on the pressure-induced phase transitions of TiO_2 has been performed using all-electron density-functional theory based computations with the projector augmented wave and the linearized augmented plane wave methods considering five experimentally observed structures. The static results yield a picture that is consistent with experiments, i.e., phase transitions with pressure are predicted as rutile #-># monoclinic baddeleyite (MI) #-># orthorhombic I (OI) #-># cotunnite (OII) on compression, and OII #-># OI #-># MI #-># columbite (TiO_2II) on decompression. The elasticities of these five polymorphs are compared. Except for the baddeleyite structure, which is considerably softer than the other polymorphs, all phases show a zero pressure bulk modulus in the range of 200-240 GPa, consistent with compression results and the single crystal elastic constant; on the basis of these results we can say ...

International Nuclear Information System (INIS)

The phase transition behaviour of polyethylene-b-poly(ethylene oxide) (PE-b-PEO) diblock copolymer with relatively short chain lengths has been studied on the basis of temperature dependent infrared and Raman spectral measurements and synchrotron WAXD/SAXS simultaneous measurements, from which the concrete structural changes were deduced successfully from the various levels of molecular chain conformation, chain packing mode and higher-order structure. The higher-order structure has been found to transform between lamella, perforated lamella, gyroid, cylinder and sphere structures. The inner structural changes occurring in the polyethylene and poly(ethylene oxide) parts have been related with these morphological changes. The morphological transition from lamella to gyroid occurs with keeping the crystalline state of polyethylene parts. This apparently curious transition can be ...

International Nuclear Information System (INIS)

Full text: It is known that the ion implantation of germanium single crystals at room temperature results in drastic alteration of the germanium surface and the formation of cellular relief. Voids were found into the near-surface damage layer. The intersection of these voids with the germanium surface, as result of sputter etching, forms cellular relief. However, exact mechanism responsible for formation of the voids is not known. A 10 and 30 keV Ga"+ irradiation of Ge #left brace#100#right brace# crystal at room temperature was carried out using a focused ion beam (FIB) system with a dose in the range 0.5x10"1"2 to 1.5x10"1"4 ion/cm"2. The topology of the modified germanium surface and the structure of the radiation damage was studied using imaging facilities of the FIB systems and transmission electron microscopy. The strong cellular structure of Ge was observed after an ion dose of 3x10"1"3 ion/cm"2. ...

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Short communication

UK PubMed Central (United Kingdom)

Magnetotactic bacteria contain chains of magnetically interacting crystals (magnetosome crystals), which they use for navigation (magnetotaxis). To improve magnetotaxis efficiency, the magnetosome crystals...Full Text Available

International Nuclear Information System (INIS)

The available experimental data on the specific heat, magnetic susceptibility, magnetization, valence, NMR Knight shift and relaxation rate, and the quadrupolar moment of YbPd_2Si_2 are examined within the framework of the single-ion Anderson model. Such an analysis has previously given excellent agreement between theory and experiment for numerous other light heavy-fermion compounds, where crystalline fields do not play a dominant role. For YbPd_2Si_2, substantial crystalline-field splittings make difficult a quantitative comparison with existing exact solutions of the Anderson model. Inconsistencies with the interpretation that a nearly degenerate ground quadruplet determines the low-temperature thermodynamics are pointed out. It is concluded that at least three of the four Kramers doublets participate in the low-T properties. These three doublets should have a splitting of the order of the Kondo temperature, i.e., about 100 K. A simple ...

British Library Electronic Table of Contents (United Kingdom)

Comparative patterns of equilibrium adsorption of argon on the surface of graphitized thermal carbon black (GCB) and the inhomogeneous surfaces of nongraphitized carbon black and silica at 77 and 87.3 K were considered. It was shown that argon acquires the properties of a special phase with a layered structure and exhibits two-dimensional phase transitions with the formation of crystal-like layers near the homogeneous surface of GCB even at a temperature exceeding the triple point. However, already at a distance of three-four molecular diameters from the surface, adsorbed argon behaves as a bulk phase in a weak external field. The defect surface of nongraphitized carbon black and the amorphous surface structure of silica destroy the longrange order of adsorbed argon and lower its solidific...

British Library Electronic Table of Contents (United Kingdom)

The synthesis and structures of three new compounds are reported. [Mg2{PhP(Se,O)Se-Se(O,Se)PPh}2(thf)7(H2O)3] (1), [Mg{PhP(Se,O)Se-Se(O,Se)PPh}(thf)3(H2O)] (2), and [Mn{PhP(Se,O)Se-Se(O,Se)PPh}(thf)3(H2O)] (3) were prepared by treatment of Woollins reagent [PhP(Se)(m-Se)]2 with the corresponding hydrated metal acetates.

International Nuclear Information System (INIS)

The constituent phases and associated deformed microstructure of the quenched Ti-xNb-(0.5-1.5) at.% Si alloy consisting of non-cytotoxicity elements, where x = 24-30 at.%, were investigated to provide pseudoelasticity for biomedical and sensor applications. Optical microscopy revealed that stress-induced martensitic transformation takes place during the deformation in the present alloys. It is confirmed from the X-ray diffraction results of the deformed specimens that the crystal structure of the stress-induced martensite phase is the orthorhombic so-called #alpha#'' structure. Within the alloys having #beta#(bcc) phase studied Nb-poor region appeared to exhibit a dominant behavior for stress-induced martensitic transformation than Nb-rich region. This result suggests that metastable #beta# phase is superior to stable #beta# phase for the occurrence of stress-induced martensitic transformation in the present alloy system.

CERN Document Server

We report a new tetragonal ground-state for perovskite-structured PbCrO3 from DFT+U calculations, and explain its anomalously large volume. The new structure is stabilized due to orbital ordering of Cr-d in the presence of a large tetragonal crystal field, mainly due to off-centering of the Pb atom. At higher pressures (smaller volumes) there is a first-order transition to a cubic phase where the Cr-d orbitals are orbitally liquid. This phase-transition is accompanied by a ~11.5% volume collapse, one of the largest known for transition-metal oxides. The large ferroelasticity and its strong coupling to the orbital degrees of freedom could be exploited to form potentially useful magnetostrictive materials

International Nuclear Information System (INIS)

Magnetization, neutron diffraction and "1"6"6Er Moessbauer measurements on ErPd_2Si_2 are reported. Below 4.8 K ErPd_2Si_2 orders AF with complex modulated magnetic structures, where the Er moments are aligned along the c-axis. At 1.5 K a squared structure with #mu#_E_r #approx# 7.8(1)#mu#_B is found while a saturation Er moment of 8.2(2)#mu#_B is inferred from the hyperfine field data. The temperature dependence of the Moessbauer spectra in the paramagnetic region is explained in the framework of a relaxation model implying excited crystal field levels. Its analysis is used to estimate the B"m_n CEF parameters. (orig.).

CERN Document Server

In order to reduce the activation temperature of the TiZrV alloy, thin films of various compositions were produced by three-cathode magnetron sputtering on stainless-steel substrates. For the characterisation of the activation behaviour the surface chemical composition has been monitored by Auger electron spectroscopy during specific in situ thermal cycles. The volume elemental composition of the film has been measured by energy dispersive X-ray spectroscopy and the morphology (crystal structure and size of the crystallites) has been investigated by X-ray diffraction. The criteria indicating the sample quality and its dependence on film structure and chemical composition are presented and discussed. (13 refs).

Energy Technology Data Exchange (ETDEWEB)

Structural silicides have important high temperature applications in oxidizing and aggressive environments. Most prominent are MoSi{sub 2}-based materials, which are borderline ceramic-intermetallic compounds. MoSi{sub 2} single crystals exhibit macroscopic compressive ductility at temperatures below room temperature in some orientations. Polycrystalline MoSi{sub 2} possesses elevated temperature creep behavior which is highly sensitive to grain size. MoSi{sub 2}-Si{sub 3}N{sub 4} composites show an important combination of oxidation resistance, creep resistance, and low temperature fracture toughness. Current potential applications of MoSi{sub 2}-based materials include furnace heating elements, molten metal lances, industrial gas burners, aerospace turbine engine components, diesel engine glow plugs, and materials for glass processing.

International Nuclear Information System (INIS)

The influence of irradiation with 2.6 MeV H and He nuclei on the superconducting properties (critical temperature Tsub(c), critical current Isub(c)) of the intermetallic compound Nb_3Sn was studied. Irradiation led to a significant lowering of Tsub(c), while Isub(c) is increasing with the radiation dose. This is assumed to be due to the formation of active pinning centres in the lattice. There is a fast drop of Isub(c) after a peak value has been reached. Annealing of the samples (600-1,000"0C) led to an almost complete recovery of the initial value of Tsub(c). X-ray diffraction showed that irradiation causes considerable distortions of the lattice while the A15 crystal structure is retained. The causes of the radiation effects related to structural defects are discussed. (GSCH).

International Nuclear Information System (INIS)

The use of Auger electron spectroscopy (AES) combined with in situ sputter etching for revealing the metallurgy of the metal-semiconductor interface is presented. The physical basis, measurement techniques, and data interpretation for Auger analysis of thin-film structures are briefly reviewed. Results of a detailed study of an alloyed multilayered contact (Ni/Au-Ge) on n-type epitaxial GaAs are summarized to illustrate how electrical and metallurgical contact properties can be correlated using AES. In addition, the results of a study of the growth kinetics and chemical phase identification of palladium silicide on single-crystal Si is given, as well as the initial results of a study of aluminum-palladium silicide interaction at elevated temperature.

Science.gov (United States)

Surface crystallization and surface-to-bulk ratio in high-level waste glasses.

Science.gov (United States)

Lysozyme crystal growth rates over 5 orders of magnitude in range can be described using a

Energy Technology Data Exchange (ETDEWEB)

Single crystals of Li{sub 1.8}(In{sub 0.55}Zr{sub 0.45}){sub 2}(PO{sub 4}){sub 3} and Li{sub 3}(In{sub 1-x}Sc{sub x}){sub 2}(PO{sub 4}){sub 3} (x=0.67,0.73) were grown by a flux method. The crystal structure of Li{sub 1.8}(In{sub 0.55}Zr{sub 0.45}){sub 2}(PO{sub 4}){sub 3} was found to be similar to that of the high temperature {gamma}-phase of Li{sub 3}Sc{sub 2}(PO{sub 4}){sub 3}. However, Li ions were located on only one site among three available sites. On the other hand, those of Li{sub 3}In{sub 2}(PO{sub 4}){sub 3}-Li{sub 3}Sc{sub 2}(PO{sub 4}){sub 3} solid solutions were found to be similar to that of the low temperature {alpha}-phase of Li{sub 3}Sc{sub 2}(PO{sub 4}){sub 3}. The ionic conductivity of Li{sub 1.8}(In{sub 0.55}Sc{sub 0.45}){sub 2}(PO{sub 4}){sub 3} was measured along with the directions perpendicular and parallel to the a-axis. A relatively large anisotropic conductivity was observed in the single ...

Energy Technology Data Exchange (ETDEWEB)

This patent describes a {gamma}-ray detector. It comprises: a dislocation-free single crystal having an input surface and a transmission surface at opposite ends thereof; an active shield surrounding the crystal and functioning as an anticoincidence counter; and {gamma}-ray detector means disposed adjacent the transmission surface of the crystal for receiving and detecting {gamma}-rays of a predetermined wavelength incident on the input surface of the crystal at a specific Bragg angle and transmitted through the crystal.

British Library Electronic Table of Contents (United Kingdom)

Direct visualization of rare earths in @a- and @b-SiAlON unit-cells is performed through Z-contrast imaging technique in an aberration-corrected scanning transmission electron microscope. The preferential occupation of Yb and Ce atoms in different interstitial locations of @b-SiAlON lattice is demonstrated, yielding higher solubility for Yb than Ce. The triangular-like host sites in @a-SiAlON unit cell accommodate more Ce atoms than hexagonal sites in @b-SiAlON. We think that our results will be applicable as guidelines for many kinds of rare-earth-doped materials.

International Nuclear Information System (INIS)

Luminescence properties of SiAlON phosphors codoped with Ca and Yb were investigated by changing the host lattice composition. These modifications of the host lattice were obtained by replacing Si-N bonds by Al-N and Al-O bonds. Their photoluminescence (PL) and cathodoluminescence (CL) properties were measured and compared with each other. PL allows observing the influence of the host lattice modifications by measuring wider areas. CL can excite all luminescent centers, in particular the UV luminescence centers, even if their amount is small. Thus, two additional peaks in the ultraviolet and infrared regions were observed in CL, which is not observed by PL. This work suggests that the combination of PL and CL gives more understanding about the luminescence of SiAlON phosphors, in particular the role of the secondary phases on their properties.

Science.gov (United States)

We present computer modeling along with experimental data on the formation of sharp conical tips on silicon-based three-layer structures that consist of a single-crystal Si layer on a 1 {mu}m layer of silica on a bulk Si substrate. The upper Si layers with thicknesses in the range of 0.8-4.1 {mu}m were irradiated by single pulses from a KrF excimer laser focused onto a spot several micrometers in diameter. The computer simulation includes two-dimensional time-dependent heat transfer and phase transformations in Si films that result from the laser irradiation (the Stefan problem). After the laser pulse, the molten material self-cools and resolidifies, forming a sharp conical structure, the height of which can exceed 1 {mu}m depending on the irradiation conditions. We also performed computer simulations for experiments involving single-pulse irradiation of bulk silicon, reported by other groups. We discuss conditions under ...

International Nuclear Information System (INIS)

The new compounds In_3_._7Mo_1_5S_1_9, In_1_._6Rb_2Mo_1_5S_1_9, In_2_._2CsMo_1_5S_1_9, and ScTl_2Mo_1_5S_1_9 have been synthesized by solid-state reaction in sealed molybdenum crucible at about 1250 deg. C. Their crystal structures were solved and refined from X-ray single-crystal data in the hexagonal space group P63/m. Their Mo-S framework consists of an equal mixture of Mo_6S_8S_6 and Mo_9S_1_1S_6 cluster units interconnected through Mo-S bonds. In In_3_._7Mo_1_5S_1_9, the In atoms occupy crystallographically different positions depending on their formal oxidation states of +1 or +3. This was confirmed by replacing partially or totally the monovalent indium by another monovalent cation such as the rubidium, cesium or thallium and the trivalent indium by the scandium to get the new In_1_._6Rb_2Mo_1_5S_1_9, In_2_._2CsMo_1_5S_1_9, and ScTl_2Mo_1_5S_1_9 compounds, respectively.

International Nuclear Information System (INIS)

Half-Heusler phases XYZ (Pearson symbol cF12) are chemically versatile and rich in physical properties. The half-Heusler phase in the Fe-Zn-Sb ternary system was reported in the year 2000. In this work, two new ternary phases are identified in the vicinity of the equiatomic composition FeZnSb in the same system: Fe1-xZnSb (tetragonal, space group P4/nmm, Pearson symbol tP6-?, Z=2: a=4.1113(6) A, c=6.0127(12) A for x=0.08 (1), and a=4.1274(6) A, c=6.0068(12) A for x=0.12 (2)); and Fe7.87Zn6.72Sb8 (Fe0.98Zn0.84Sb) (3) (cubic, space group Fm-3m, Pearson symbol cF96-?, Z=4, a=11.690(13) A). 1 and 2 crystallize in the PbFCl-type structure, and 3 adopts a unique 2x2x2 supercell of a normal half-Heusler structure. The structures of both the tetragonal and cubic phases can be described as assemblies of half-Heusler structure related subunits. Electrical resistivity measurement on the pure ...

Science.gov (United States)

Samples dredged from the sediment mounds have a unique chemistry and mineralogy which reveals details of the hydrothermal processes that produce these deposits. The mounds form primarily by deposition of Fe, Mn and Si from hydrothermal fluids which circulate through the basalt crust and the overlying sediments. The Mn, Fe and Si are strongly fractionated in the process; the Fe and Si precipitate within the mounds under slightly reducing conditions as nontronite, while the Mn is deposited as Mn oxyhydroxides at the seawater-sediment interface. The nontronite is exceptionally well crystallized, and contains less than 200 ppm Al. The Mn minerals, todorokite and birnessite, also have exceptional crystallinity and the distribution of trace elements Cu, Ni, Zn, Co, Ca and Ba in these phases agrees with predictions made on the basis of models of their crystal structure. The environment of deposition which produces this suite of ...

International Nuclear Information System (INIS)

We report, for the first time to our knowledge, on the active optical planar waveguides in Nd : YAG laser crystals fabricated by O3+ ion implantation at low doses of ?1014 ions cm-2. The reconstructed refractive index profiles based on the measured dark-mode spectroscopy show that an enhanced refractive index well is created in the near-surface region, forming a non-leaky waveguide structure. With thermal annealing treatment at 260 0C for 90 min, the propagation losses of the waveguides could be reduced to ?3 dB cm-1 at a wavelength of 632.8 nm. The micro-luminescence investigation reveals that the emission bands of Nd3+ ions are not significantly affected by the waveguide formation processing, which shows promising potentials for efficient waveguide laser operations at near-infrared wavelength bands.

CERN Document Server

We report $^{7}$Li pulsed NMR measurements in polycrystalline and single crystal samples of the quasi one-dimensional S=1 antiferromagnet LiVGe$_2$O$_6$, whose AF transition temperature is $T_{\\text{N}}\\simeq 24.5$ K. The field ($B_0$) and temperature ($T$) ranges covered were 9-44.5 T and 1.7-300 K respectively. The measurements included NMR spectra, the spin-lattice relaxation rate ($T_1^{-1}$), and the spin-phase relaxation rate ($T_2^{-1}$), often as a function of the orientation of the field relative to the crystal axes. The spectra indicate an AF magnetic structure consistent with that obtained from neutron diffraction measurements, but with the moments aligned parallel to the c-axis. The spectra also provide the $T$-dependence of the AF order parameter and show that the transition is either second order or weakly first order. Both the spectra and the $T_1^{-1}$ data show that $B_0$ has at most a small effect on the ...

British Library Electronic Table of Contents (United Kingdom)

Abstract The salts [Cnmim]2[Mo6Cl14] (mim = methylimidazolium; n = 4, 6, 12, 16, 18) have been obtained by reaction of CnmimCl with MoCl2. Thermal analysis shows the melting point decreases with increasing alkyl chain length of the cation. The imidazolium chloromolybdates(II) with n = 6-18 decompose above 340 C; [C18mim]2[Mo6Cl14] is thermally stable up to 390 C. All compounds are insensititve to the constituents of the atmosphere. Of the higher melting salts [Cnmim]2[Mo6Cl14] (n = 4, 6), high-quality single crystals could be obtained. Single-crystal X-ray structural analyses clearly show that the cluster complex anion [Mo6Cl14]2- has an electron-precise octahedral {Mo6} cluster. For [C4mim]2[Mo6Cl14], two polymorphs differing in the cation alkyl-side-chain conformation were obtained. The ...

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 experiments at low incident ...

Energy Technology Data Exchange (ETDEWEB)

The magnetic structure of the cubic compound CeAl{sub 2} is incommensurate and double-k. The moments on the two Ce sites describe two elliptical helices of opposed chiralities and lie in the (11-bar0) plane, with their Fourier components m{sup k} close to the [111] direction. Recent symmetry considerations, including for the first time the inversion center of the crystal, have reduced the number of parameters of this structure and have underlined the existence of a phase difference between the projections m{sub x}{sup k}, m{sub y}{sup k} and m{sub z}{sup k} of m{sup k}. Up to now, although many neutron investigations have been carried out on CeAl{sub 2} single crystals, no set of magnetic intensities was available which was large and good enough to check whether this phase difference exists or not. We have measured such a set of data, taking great care of the instrumental resolution in order to avoid ...

International Nuclear Information System (INIS)

A new iron phosphate (NH4)4Fe3(OH)2F2[H3(PO4)4] has been synthesized hydrothermally at HF concentrations from 0.5 to 1.2 mL. Single-crystal X-ray diffraction analysis reveals its three-dimensional open-framework structure (monoclinic, space group P21/n (No. 14), a=6.2614(13) A, b=9.844(2) A, c=14.271(3) A, ?=92.11(1)o, V=879.0(3) A3). This structure is built from isolated linear trimers of corner-sharing Fe(III) octahedra, which are linked by (PO4) groups to form ten-membered-ring channels along [1 0 0]. This isolated, linear trimer of corner-sharing Fe(III) octahedra, [(FeO4)3(OH)2F2], is new and adds to the diverse linkages of Fe polyhedra as secondary building units in iron phosphates. The trivalent iron at octahedral sites for the title compound has been confirmed by synchrotron Fe K-edge XANES spectra and magnetic measurements. Magnetic measurements also show that this compound exhibit a strong antiferromagnetic ...

International Nuclear Information System (INIS)

The neutron-capture cross sections of "1"6"8Yb, "1"8"0W, "1"8"4Os, "1"9"0Pt, and "1"9"6Hg have been measured by means of the activation technique. The samples were irradiated in a quasistellar neutron spectrum of kT=25 keV, which was produced at the Karlsruhe 3.7-MV Van de Graaff accelerator via the "7Li(p,n)"7Be reaction. Systematic uncertainties were investigated in repeated activations with different samples and by variation of the experimental parameters, that is, irradiation times, neutron fluxes, and #gamma#-ray counting conditions. The measured data were converted into Maxwellian-averaged cross sections at kT=30 keV, yielding 1214#+-#61, 624#+-#54, 590#+-#43, 511#+-#46, and 201#+-#11 mb for "1"6"8Yb, "1"8"0W, "1"8"4Os, "1"9"0Pt, and "1"9"6Hg, respectively. The present results either represent first experimental data ("1"6"8Yb, "1"8"4Os, and "1"9"6Hg) or could be determined with significantly reduced uncertainties ...

Energy Technology Data Exchange (ETDEWEB)

Polycrystalline ZnS semiconducting films have been prepared in sandwich configuration by spray pyrolysis technique using ZnO-coated glass substrates and mixed aqueous solutions of ZnCl{sub 2} and thiourea. The sandwich structures have been produced successfully by means of ZnO-coated glass substrates. The produced ZnS films have been crystallized in a wurtzite structure and had a direct band gap energy of 3.62 eV. The electrical properties of the sample have been studied by an analysis based on the thermally stimulated current spectra in the temperature range of 40-300 K with various heating rates. A set of curves of I (T) for varying initial density of filled traps at a heating rate of {beta} {sub 2}=0.06 K s{sup -1} indicate that the observed peaks in the TSC curve of polycrystalline ZnS films have first-order features. In order to evaluate the trap parameters of ZnS films, we have used curve-fitting method. The values of ...

International Nuclear Information System (INIS)

The present work is to study effects of neutron irradiation on the structure of amorphous Pb_8_0 Si_2_0 and Pd_7_7_._5 Cu_6 Si_1_6_._5 alloys by using X-ray diffraction techniques. differential scanning calorimertry (DSC) and internal friction measurements. The irradiation will produce obvious changes in the pair correlation function g(r) and radial distribution function RDF (r). The increase of crystallization temperature (Tx) and enthalpy of two specimens were found by DSC measurements after irradiation. The results of internal friction measurement show that the internal friction of the irradiated Pd_8_0Si_2_0 alloy is higher than that of the unirradiated in the temperature range of Tstructure changes before and after neutron irradiation are discussed in terms of the concepts of density fluctuation defects (p) and shear stress fluctuation defects (#iota#).

International Nuclear Information System (INIS)

Complete text of publication follows. The stability regime of the incommensurate phase of quartz is influenced by uniaxial stress. Hence, the phase transition can be induced under isothermal conditions by the application of external mechanical forces. Using real-time neutron scattering the time evolution of structural changes is investigated id detail during stress variations. The time dependent behaviour of the satellite reflection is compared with that one of the fundamental Bragg reflection which - via primary extinction - gives information about the perfection of the crystal. On increasing stress the perfection of the lattice is destroyed immediately while the modulated structure is built up with a delay of about 1 s. Decreasing the stress leads to a reverse behaviour. Moreover, there is evidence that under periodical load residual non-relaxed strain fields survive leading to a different temperature dependence as ...

CERN Document Server

material, and that these magnetic properties vary systematically with the diameter of the spherical pores within the films. A new oscillation effect has been observed for the coercivity of macroporous Ni sub 8 sub 0 Fe sub 2 sub 0 film with different pore layer thickness. sphere templates, the resulting films show well-formed, regular, two- and three-dimensional macroporous networks consisting of spherical pores arranged in a highly ordered face centred cubic (fee) structure. The spherical voids are interconnected by a series of smaller windows that form an open porous structure embedded in the material framework. The diameter of the spherical pores can be precisely changed over the range from 200 to 1000 nm by changing the diameter of the latex spheres used to form the templates. The resulting macroporous material structures are robust, self-supported, dense, polycrystalline, uniform and free from filling defects and ...

Energy Technology Data Exchange (ETDEWEB)

Acetohydroxyacid synthase (AHAS; EC 2.2.1.6) is the first enzyme in the biosynthetic pathway of the branched-chain amino acids. It catalyzes the conversion of two molecules of pyruvate into 2-acetolactate or one molecule of pyruvate and one molecule of 2-ketobutyrate into 2-aceto-2-hydroxybutyrate. AHAS requires the cofactors thiamine diphosphate (ThDP), Mg{sup 2+} and FAD for activity. The herbicides that target this enzyme are effective in protecting a broad range of crops from weed species. However, resistance in the field is now a serious problem worldwide. To address this, two new sulfonylureas, monosulfuron and monosulfuron ester, have been developed as commercial herbicides in China. These molecules differ from the traditional sulfonylureas in that the heterocyclic ring attached to the nitrogen atom of the sulfonylurea bridge is monosubstituted rather than disubstituted. The structures of these compounds in complex with the catalytic subunit of Arabidopsis ...

CERN Document Server

This handbook is a unique compendium of knowledge on all aspects of the physics of liquid crystals. In over 500 pages it provides detailed information on the physical properties of liquid crystals as well as the recent theories and results on phase transitions, defects and textures of different types of liquid crystals. An in-depth understanding of the physical fundamentals is a prerequisite for everyone working in the field of liquid crystal research. With this book the experts as well as graduate students entering the field get all the information they need.

Science.gov (United States)

Adenine DNA glycosylase catalyzes the glycolytic removal of adenine from the promutagenic A {center_dot} oxoG base pair in DNA. The general features of DNA recognition by an adenine DNA glycosylase, Bacillus stearothermophilus MutY, have previously been revealed via the X-ray structure of a catalytically inactive mutant protein bound to an A:oxoG-containing DNA duplex. Although the structure revealed the substrate adenine to be, as expected, extruded from the DNA helix and inserted into an extrahelical active site pocket on the enzyme, the substrate adenine engaged in no direct contacts with active site residues. This feature was paradoxical, because other glycosylases have been observed to engage their substrates primarily through direct contacts. The lack of direct contacts in the case of MutY suggested that either MutY uses a distinctive logic for substrate recognition or that the X-ray structure had captured a ...

Energy Technology Data Exchange (ETDEWEB)

Positron annihilation experiments on Fe-Cu model dilute alloys of nuclear reactor pressure vessel (RPV) steels have been performed after neutron irradiation in JMTR. Nanovoids whose inner surfaces were covered by Cu atoms were clearly observed. The nanovoids transformed to ultrafine Cu precipitates by dissociating their vacancies after annealing at around 400degC. The nanovoids and the ultrafine Cu precipitates are strongly suggested to be responsible for irradiation-induced embrittlement of RPV steels. Effects of Ni, Mn and P addition on the nanovoid and Cu precipitate formations were also studied. The nanovoid formation was enhanced by Ni and P, but suppressed by Mn. The Cu precipitates after annealing around 400degC were almost free from these doping elements and hence were pure Cu in the chemical composition. Furthermore the Fermi surface of the 'embedded' Cu precipitates with a body centered cubic crystal structure was ...

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We have demonstrated in this work (1) that methane is readily activated at mild conditions (100[degree]C, 1 torr) over a relatively noble metal, Pd. This was observed using a stepped and kinked Pd(679) crystal (1), and other crystal faces are now being investigated to establish whether the cracking of the C-H bond of methane on Pd is structure sensitive or structure insensitive. Oxygen chemisorption is extremely structure sensitive: weakly bonded, highly reactive oxygen overlayers form on Pd(100) surface (2), while strongly bonded, moderately reactive oxygen overlayers form on Pd(111) and Pd(679). Reaction of the weakly bonded oxygen with surface carbide gives rise to CO[sub 2] over clean Pd(100) but to CO over halogen-doped Pd(100) (3--5). The effect of halogens is primarily ensemble-controlling, or oxygen-supply restricting, but long range influence of surface Cl on the strength ...

British Library Electronic Table of Contents (United Kingdom)

The characteristics of aerosol generation were studied experimentally in an ammonia-based wet flue gas desulfurization process. Particle size distributions and concentrations, morphologies and compositions before and after desulfurization were measured using an electrical low pressure impactor and scanning electron microscopy, respectively. The results show that aerosols can be generated between ammonia and sulfur dioxide resulting in gas-phase reaction and the aerosol concentration at the outlet of scrubber is significantly higher than at the inlet. Before desulfurization the particles are primarily silica-alumina minerals including O, Al, Si and C, while after ammonia-based desulfurization aerosol particles have smooth surfaces with regular structures, such as cubic and prismatic crystal...

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The direct addition of nickel powder to the reaction mixtures of 1,3-dialkyl-4,5-dioxoimidazolidine-2-thione (1) with the thionation Lawesson reagent produces [Ni{sup II}(R{sub 2}timdt{sup -}){sub 2}] (R{sub 2}timdt = 1,3-dialkylmidazolidine-2,4,5-trithione). These complexes belong to a new class of nickel-dithiolenes, showing remarkably high absorption ({epsilon} {approx} 80 000 dm{sup 3} mol{sup -1} cm{sup -1}, {lambda} {approx} 1000 nm) in the near-infrared region (near-IR), accompanied by high photochemical stability that makes these complexes promising near-IR dyes.

British Library Electronic Table of Contents (United Kingdom)

The influence of selenium dioxide (SeO2) on the microstructure and electrodeposition of manganese coatings obtained from a sulfate based neutral solution was investigated by material characterization methods and electrochemical techniques. The crystal structure and surface morphology of these coatings were studied by scanning electron microscopy (SEM) and powder X-ray diffraction spectroscopy (XRD), respectively. The SEM and XRD data showed that SeO2 could effectively accelerate phase transformation, and facilitate leveled and fine grain growth. The electrochemical results indicated that SeO2 could inhibit hydrogen evolution reaction and promote manganese deposition. The action of selenium dioxide in manganese deposition was found to be a reduction and adsorption mechanism. The process cou...

International Nuclear Information System (INIS)

Here we reported a two-step procedure for preparing a novel polymeric based solid-solid phase change heat storage material. Firstly, a copolymer monomer containing a polyethylene glycol monomethyl ether (MPEG) phase change unit and a vinyl unit was synthesized via the modification of hydrogen group of MPEG. Secondly, by copolymerization of the copolymer monomer and phenyl ethylene, a novel polymeric based solid-solid phase change heat storage material was prepared. The composition, structure and properties of the novel polymeric based solid-solid phase change material were characterized by IR, "1H NMR, DSC, WAXD, and POM, respectively. The results show that the novel polymeric based solid-solid phase change material possesses of excellent crystal properties and high phase change enthalpy.

Energy Technology Data Exchange (ETDEWEB)

Raman and infrared spectroscopy of para-H{sub 2} to pressures in excess of 200GPa and to 8K using new ultrapure synthetic diamond anvils reveals numerous new vibrational excitations in the three high-pressure phases. Highly resolved Raman-active librons indicate differences in orientational ordering between phasesII and III, including evidence for changes within phaseII. The librons in phaseIII are strongly pressure dependent and reflect a substantial increase in ordering with pressure. Multiple vibrons in all three phases (I, II, and III) are observed. The results place new bounds on predicted crystal structures and dynamics of the dense molecular solid. {copyright} {ital 1997} {ital The American Physical Society}

International Nuclear Information System (INIS)

A 340-watt CO_2 laser is being used to generate PuO_2-UO_2 condensation aerosol from the surface of a Liquid Metal Fast Breeder Reactor (LMFBR) fuel pellet. A wide range of concentrations is achieved by varying the laser power, pulse width, and/or pulse period. The resulting aerosol is composed of branch chain-like aggregates, with the primary particle size ranging between 0.005 and 0.15 #mu#m. X-ray diffraction analyses show that these aerosols condense into a face-centered cubic crystal structure. The activity mean aerodynamic diameter (AMAD), for most power levels, is approximately 0.85 #mu#m with a geometric standard deviation of 1.5.