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New palladium(II) and platinum(II) complexes of saccharinate (sac), trans-[Pd(py)"2(sac)"2] (1), cis-[Pt(py)"2(sac)"2] (2), trans-[Pd(3-acpy)"2(sac)"2] (3) and cis-[Pt(3-acpy)"2(sac)"2] (4) (py=pyridine and 3-acpy=3-acetylpyridine) have been synthesized. Elemental analysis, UV-Vis, IR, NMR and TG/DTA characterizations have been carried out. The structures of 1-4 were determined by X-ray diffraction. The palladium(II) and platinum(II) ions are coordinated by two N-bonded sac ligands, and two nitrogen atoms of py or 3-acpy, forming a distorted square-planar geometry. The palladium(II) complexes (1 and 3) are trans isomers, while the platinum(II) complexes (2 and 4) are cis isomers. The mononuclear species in the solid state are connected by weak intermolecular C-H...O hydrogen bonds, C-H...@...

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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.

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The characterization of monoammine(nitroimidazole)platinum(II) complexes of structure (PtCl{sub 2}(NH{sub 3})(NO{sub 2}Im)) (NO{sub 2}Im = 1-((((2-hydroxyethyl)amino)carbonyl)methyl)-2-nitroimidazole, Etanidazole (I), 1-(2-nitro-1-imidazolyl)-3-methoxy2-propanol, Misonidazole (II), and 1-(2-hydroxyethyl)-2-methyl-5-nitroimidazole, Metronidazole (III)) is reported. Both is cis and trans isomers may be isolated for II and III. The crystal structure of cis-amminedichloro(1-((((2-hydroxyethyl)amino)carbonyl)methyl)-2-nitroimidazole)platinum(II) has been determined by X-ray diffraction. The crystals are orthorhombic, space group Pnab with cell dimensions a = 14.867 (7) {angstrom}, b = 9.915 (5) {angstrom}, c = 19.015 (9) {angstrom}, and Z = 8. The structure was refined to R = 0.062 and R{sub w} = 0.052. ...

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A series of NHC silver(I), mercury(II) and palladium(II) complexes, [(1,3-diethylbimy)6Ag4I3]I (2), [(1-benzyl-3-picolylbimy)Ag2Br2]n (3), [(1-benzyl-3-picolylbimy)HgI(CH2CN)]2 (4), {[(1-picolyl-3-npropylbimy)2Hg][Hg2I6]}n (5) and [(1,3-dipicolylbimy)PdCl]Cl (6), as well as one anionic complex [1,3-diethylbimidazolium]2[HgI4] (1) (bimy=benzimidazol-2-ylidene), have been prepared and characterized. Interestingly, a wind wheel-like Ag4I3 arrangement in 2 is formed, 1D polymeric chain containing 12-membered macrometallocycles and quadrangle Ag2Br2 units in 3 is generated, and the a-carbon atom of deprotonated acetonitrile ([CH2CN]-) in 4 participates in coordination with mercury(II) atom. In the crystal packings of complexes 1-6, 2D supramolecular layers or 3D supramolecular architectures are...

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Varying coordination modes of the Schiff base ligand H"2L [5-methyl-1-H-pyrazole-3-carboxylic acid (1-pyridin-2-yl-ethylidene)-hydrazide] towards different metal centers are reported with the syntheses and characterization of four mononuclear Mn(II), Co(II), Cd(II) and Zn(II) complexes, [Mn(H"2L)(H"2O)"2](ClO"4)"2(MeOH) (1), [Co(H"2L)(NCS)"2] (2), [Cd(H"2L)(H"2O)"2](ClO"4)"2 (3) and [Zn(H"2L)(H"2O)"2](ClO"4)"2 (4), and a binuclear Cu(II) complex, [Cu"2(L)"2](ClO"4)"2 (5). In the complexes 1-4 the neutral ligand serves as a 3N,2O donor where the pyridine ring N, two azomethine N and two carbohydrazine oxygen atoms are coordinatively active, leaving the pyrazole-N atoms inactive. In the case of complex 5, each ligand molecule behaves as a 4N,O donor utilizing the pyridine N, one azomethine N...

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Potassium dichlorido(l-prolinato)platinate(II), K[PtCl"2(l-pro"?"H)] (1), and chlorido(dimethyl sulfoxide)(l-prolinato)platinum(II), [PtCl(l-pro"?"H)(dmso)] (2), were synthesized by ligand substitution reactions. Both complexes were characterized by ^1H, ^1^3C, and ^1^9^5Pt NMR spectroscopy, elemental analysis, and HR-ESI-MS. The molecular structures of 1 and 2 were determined by single crystal X-ray diffraction, proving bidentate coordinated l-prolinato ligand and SP-4-4 configuration of 2a. With the help of DFT calculations stability of possible isomers of 1 and 2 was studied. A considerable difference in the in vitro cytotoxicity of 1 versus 2a (exchange of one chlorido ligand by dmso) against four human cancer cell lines was found.

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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 ...

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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.)

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... structure crystal-phase transformations fluorescence fluorescence spectroscopy

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 ...

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The Schiff base ligand, 4-isopropylbenzaldehyde[N-(3-oxo-3,4-dihydro-2-quinoxalinyl)hydrazone] (Ipbh), the 1:1 condensation product of 4-isopropylbenzaldehyde and 2-hydroxy-3-hydrazinoquinoxiline, has been synthesized and characterized by X-ray crystallography. A series of complexes of Ipbh with Nickel(II), viz., [Ni(Ipbh)2]Cl2 (1), [Ni(Ipbh)2]Br2 (2), [Ni(Ipbh)2]I2 (3), [Ni(Ipbh)2(CH3OH)2](NO3)2(CH3OH)2 (4) and [Ni(Ipbh)2ClO4]ClO4 (5) have been synthesized. All the complexes were characterized by elemental analysis, molar conductivity, CHN analysis, spectroscopic studies, magnetic susceptibility measurements and TG/DTA methods. The solid-state structure of the complex 4 was established by single crystal X-ray crystallography. In all the complexes, Ipbh acts as a bidentate NO chelating age...

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The amorphization of a quenched sample of the GaSb-II high-pressure phase was studied at ambient pressure by real-time neutron diffraction in the course of the sample heating from 100 K to room temperature at a rate of 0.4 K min-1. The transformation to the amorphous state begins at 140 K and is completed near room temperature. The ?-Sn type structure was shown to represent only the mean lattice of the high-pressure GaSb-II phase. The superstructure of this phase widely varied with temperature and is caused by the ordered displacement of atoms. The temperature range of the metastable crystalline phase relaxation is divided into three intervals according to the temperature dependence of the tetragonality ratio (c/a). At the boundaries of these temperature intervals, i.e. temperatures T = 170 and 230 K, two second-order phase transitions are observed. Anomalous heat and volumetric effects were observed earlier by means of ...

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Approximately 65% of PSI structures report some type of ligand(s) that is bound in the crystal structure. Here, a description is given of how such ligands are handled and analyzed at the JCSG and a...Full Text Available

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A cyclic hexapeptide, annomuricatin A (the molecular formula: C27H38N6O7), was isolated from the seeds of Annona muricata. The types and sequence of the amino acids were confirmed by X-ray diffraction analysis. The stereochemistry of the title cyclopeptide was clarified by X-ray crystallographic study. The backbone contains two b-turns, one is type I b-turn and the other is type II, which are stabilized by two transannular 41 backbone hydrogen bonds between Ala and Phe. There are intermolecular hydrogen bonds between the cyclopeptide and the solvent molecules which maintained the steady spatial arrangement in crystal.

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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.

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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 ...

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Abstract The synthesis, crystal structure and magnetic characterisation by magnetisation and inelastic neutron scattering (INS) of a mixed-valent Mn10 supertetrahedral aggregate [MnIII6MnII4(4-O)4(3-N3)3(3-Br)(Hmpt)6(Br)]Br0.7(N3)0.3-2-MeOH-3-MeCN (1) (H3mpt=3-methylpentan-1,3,5-triol) is reported. The magnetic core of the molecule can be described as an octahedron of six S=2 MnIII ions with four faces, each capped by a S=5/2 MnII ion such as to form the supertetrahedron. Unlike most related complexes, the molecular symmetry is slightly reduced from approximately Td to C3. The magnetic data reveal a total spin of S=22 in the ground state due to ferromagnetic exchange couplings within the molecule. The combined INS and magnetic data permits the accurate determination of the exchange couplin...

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The mechanical characteristics of semicrystalline materials are related to the proportion, size and structure of the crystalline phase. Studying isothermal crystallization is the first stage in determining what relations exist between structure and charac...

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We report investigations of enhancement in material conversion efficiency of KDP for SHG applications. The limitation of conventional technique of growing KDP crystal was overcome in the present work by adopting a growth method to grow KDP directly in type-II phase matching direction. The conventional technique results in #approx#30% of the crystal volume usable for SHG applications whereas the present method has resulted in enhancing it to #approx#90%. The orientation of the element was confirmed by frequency conversion experiment using Nd:YAG laser. The UV-vis transmittance obtained was 92%. The interferometric results show that the crystals have excellent optical homogeneity.

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

International Nuclear Information System (INIS)

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

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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.)

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The aim of this paper was to describe ability to intercalation of laboratory prepared carbon composites and their constituents. In work the following materials were tested; pinch-based fibres of P-120 and K-1100 manufacturer's designations, carbon matrix and resulting composites. To prepare a matrix of composites, phenol-formaldehyde resin (Z) and pinch-based precursor (PAK) were used. After initial carbonization, the carbon matrix was heated to 2150 "oC i to improve ability to the future intercalation. Three kinds of composites (P/Z, K/Z and K/PAK), with two directional reinforcement (2D), were prepared. All carbon samples were intercalated with copper chloride(II). To study the structure of all materials, before and after intercalation, X-ray diffraction method was used. It enabled to measure microstructure parameters (L_c and L_a), interplanar distance (d_0_0_2) thickness of an intercalation layer (d_i). Before intercalation, graphite fibers ...

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New tetradentate N(2)O(2) donor Schiff bases and their mononuclear Co(II), Ni(II), Cu(II), and Pd(II) complexes were synthesized and characterized extensively by IR, (1)H-, (13)C-NMR, mass, ESR, conductivity measurements, elemental and thermal analysis. Specifically the magnetic and electronic spectral measurements demonstrate the octahedral structures of cobalt(II), nickel(II) complexes and square planar geometries of copper(II), palladium(II) complexes. All the ligands and complexes were screened for their in vitro antibacterial activity against two gram-positive bacteria (Bacillus subtilis, Staphylococcus aureus) and two gram-negative bacteria (Escherichia coli, Klebsiella pneumonia). In this study, Pd(II) complexes exhibited potent antibacterial activity against B. subtilis, ...

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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 evolution of metallic substance atomic structure is studied on temperature variation including crystal heating up to melting points, a crystal- liquid phase transition and initiation of a high-density liquid specific structure. It is marked that heat induced changes of simple metal structure can be described as changes around a natural elementary cell which is common for both a crystal and a liquid and consists of a central atom and Z_1 atoms of the first coordination sphere. On this basis the vacancy model of melting is verified. Concentrations of melting vacancies are determined by coordination numbers in the form of Z_1/(1+Z_1)"2 which are the same for both a crystal and a natural elementary cell. The size of natural elementary cells is in an agreement with that of the coordination sphere featured in the liquid and phase transition ...

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The zinc-blende (ZB) and wurtzite (W) structures are the most common crystal forms of binary octet semiconductors. In this work we have developed a simple scaling that systematizes the {ital T}=0 energy difference {Delta}{ital E}{sub W{minus}ZB} between W and ZB for all simple binary semiconductors. We have first calculated the energy difference {Delta}{ital E}{sub W{minus}ZB}{sup LDF}({ital AB}) for AlN, GaN, InN, AlP, AlAs, GaP, GaAs, ZnS, ZnSe, ZnTe, CdS, C, and Si using a numerically precise implementation of the first-principles local-density formalism (LDF), including structural relaxations. We then find a {ital linear} scaling between {Delta}{ital E}{sub W{minus}ZB}{sup LDF}({ital AB}) and an atomistic orbital-radii coordinate {ital {tilde R}}({ital A},{ital B}) that depends only on the properties of the free atoms {ital A} and {ital B} making up the binary compound {ital AB}. Unlike classical ...

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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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No abstract prepared.

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... magnetic susceptibility magnetization monocrystals neutron diffraction

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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,

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

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Multi-walled carbon nanotubes (MWNTs) were modified with poly(hexamethylene adipamide) (also known as Nylon 66) via a controlled polymer solution crystallization method. A 'nanohybrid shish kebab' (NHSK) structure was found wherein the MWNT resembled the shish while Nylon 66 lamellar crystals formed the kebabs. These Nylon 66-functionalized MWNTs were used as precursors to prepare polymer/MWNT nanocomposites. Excellent dispersion was revealed by optical and electron microscopies. Nitric acid etching of the nanocomposites showed that MWNT formed a robust network in Nylon 66. Non-isothermal DSC results showed multiple melting peaks, which can be attributed to lamellar thickness changes upon heating. The crystallite sizes L{sub 100} and L{sup 010} of Nylon 66, determined by WAXD, decreased with increasing MWNT contents. Isothermal DSC results showed that crystallization kinetics increased ...

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R_2PdSi_3 compounds have been found to exhibit rich magnetic phenomena arising from the interplay between RKKY interaction, crystal electric field effects and geometric frustration due to the derived hexagonal AlB_2 structure. The observed crystallographic superstructure further complicates the CEF level scheme. Inelastic neutron scattering measurements on single crystals of Tm_2PdSi_3 and Er_2PdSi_3 have been performed at the cold triple axis spectrometer PANDA in FRM-II. Both compounds order antiferromagnetically at T_N=7 K and 2.1 K respectively; Er_2PdSi_3 undergoes a second phase transition at T_2=2 K. Several low lying CEF excitations (below 10 meV) were observed. The intensity of the lowest excitation show strong directional dependence (in HK0 plane for Er_2PdSi_3 and in HHL plane for Tm_2PdSi_3), from which the details of the transitional matrix could be deduced. Measurements in magnetic fields ...

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The electronic structures of the set of molecular clusters of dielectric oxide crystals AWO4 (A = Pb, Cd, Zn), the sizes of which increase sequentially are ab-initio calculated by the Restricted Hartree-Fock (RHF) method. The results of calculations of molecular orbitals and energy dependences of partial densities of electronic states of different clusters are compared each to other and to experimental data. It is found that calculated electronic structures of the tungstate groups and cations which are surrounded in cluster by certain number of the nearest neighbor atoms of the crystals quite well represent the experimentally obtained value of the forbidden gap of corresponding AWO4 crystal. (authors)

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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 "7F_1 manifold of the Eu"3"+ ion as a function of N_v, the so-called crystal field strength parameter, is given. This allows us to classify the compounds according to their crystal field extent. (author)

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The three-dimensional structure of the human adenovirus-2 proteinase complexed with its 11 amino acid cofactor, pVIc, was determined at 2.6 A resolution by X-ray crystallographic analysis. The fold...Full Text Available

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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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We determined the chromosomal localization and structure of the gene encoding human type II inosine 5{prime}-monophosphate dehydrogenase (IMPDH, EC 1.1.1.205), an enzyme associated with cellular proliferation, malignant transformation, and differentiation. Using polymerase chain reaction (PCR) primers specific for type II IMPDH, we screened a panel of human-Chinese hamster cell somatic hybrids and a separate deletion panel of chromosome 3 hybrids and localized the gene to 3p21.1{yields}p24.2. Two overlapping yeast artificial chromosome clones containing the full gene for type II IMPDH were isolated and a physical map of 117 kb of human genomic DNA in this region of chromosome 3 was constructed. The gene for type II IMPDH was localized and oriented on this map and found to span no more than 12.5 kb.

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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)

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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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Alloy 800 and Alloy 600 are well known for their resistance to corrosion in an aqueous medium at high pressure and temperature, for which they have been widely used for more than 3 decades in different structural components of water refrigerated nuclear reactors, especially as material for the steam generator tubes (SG) in these nuclear plants. The SG tubes in the Atucha I and Embalse Nuclear Plants are made with Alloy 800. The speed of corrosion of these materials in a reactor's refrigerant medium, while very small is perfectly measurable and can be described by parabolic or logarithmic type kinetics. In other words this speed is high in the first states of growth during the formation of a protective oxide film but then drops to almost stationary values. One characteristic of these films is the formation of a double layer (or duplex): i) an internal adhering layer, of approximately constant thickness, formed by small microcrystals (#<=#0.05 mm), ...

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The Ty transposable elements of Saccharomyces cerevisiae form a heterogeneous family within which two broad structural classes (I and II) exist. The two classes differ by two large substitutions and...Full Text Available

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Performance of SRF cavities are limited by non-linear localized effects. The variation of local material characters between "hot" and "cold" spots is thus of intense interest. Such locations were identified in a BCP-etched large-grain single-cell cavity and removed for examination by high resolution electron microscopy (SEM), electron-back scattering diffraction microscopy (EBSD), optical microscopy, and 3D profilometry. Pits with clearly discernable crystal facets were observed in both "hotspot" and "coldspot" specimens. The pits were found in-grain, at bi-crystal boundaries, and on tri-crystal junctions. They are interpreted as etch pits induced by surface crystal defects (e.g. dislocations). All "coldspots" examined had qualitatively low density of etching pits or very shallow tri-crystal boundary junction. EBSD revealed the crystal ...

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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"2"+ ion in isostructural nickel halide crystals NiCl_2, NiBr_2, and NiI_2. The parameters of the crystal field acting on the Ni"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"2"+ ion and ligands increase with an increase of the ligands' atomic number resulting in the following order of the degree of covalence: NiI_2>NiBr_2>NiCl_2.

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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.

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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 ...

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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.

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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.

International Nuclear Information System (INIS)

Effect of globular structure parameters - size of primary #alpha#-phase particles (bsub(I)), thickness and amount of plates of secondary #alpha#-phase (bsub(II), #gamma#sub(II#alpha# )) - on a complex of mechanical properties (#sigma#sub(#beta#), S, phi, asub(H), asub(T), Ksub(Q), #sigma#sub(-1), #sigma#_1_0_0"4"5"0, #sigma#sub(0.2/100)) of VT3-1 (#alpha#+#beta#)-titanium alloy is studied. The dependences obtained allow one to determine globular structure parameters, providing necessary mechanical properties. In combination with data on the effect of thermal treatment conditions on structure parameters, results obtained in the paper may be used for structure control to increase a level of required characteristics.

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Crystals of a new ternary samarium rhenium oxide, Sm{sub 3}ReO{sub 7} were obtained by subsolidus reaction of samariumsesquioxide and rheniumdioxide (ratio 1.5:1) in sealed Pt-10Rh-tubes at 1673 K. The structure was determined by single-crystal X-ray diffraction. Sm{sub 3}ReO{sub 7} crystallizes in the orthorohombic system with unit cell dimensions a = 10.736(5), b = 7.392(3), and c = 7.519(3) in space group Cmcm (No. 63) with Z = 4. The structure consists of ReO{sub 6} octahedra, distorted SmO{sub 6} octahedra, and SmO{sub 8} prisms that are interconnected to each other to form a three-dimensional network. Rhenium has the formal oxidation state of +5 but no metal-metal bond is observed in this compound. The observed magnetization in the temperature range 4 K < T < 52 K is explained by a Curie-Weiss law modified by a temperature independent Van Vleck paramagnetism of samarium ...

UK PubMed Central (United Kingdom)

Sensory rhodopsins (SRs) belong to a subfamily of heptahelical transmembrane proteins containing a retinal chromophore. These photoreceptors mediate the cascade of vision in animal eyes and phototaxis...Full Text Available

UK PubMed Central (United Kingdom)

SUMMARYReplication timing is frequently discussed superficially in terms of its relationship to transcriptional activity via chromatin structure. However, so little is known about...Full Text Available

International Nuclear Information System (INIS)

The crystal structure of the compound Sm_4Pd_4Si_3 was determined by the single-crystal method (KM-4 automatic diffractometer, Mo K#alpha# radiation). Sm_4Pd_4Si_3 has the monoclinic Nd_4Rh_4Ge_3 type structure: space group C2/c, mC44 (No. 15), a=20.693(6), b=5.584(1), c=7.699(2) A, #beta#=109.48(3) , V=838 A"3, Z=4, #mu#=36.23 mm"-"1, R_F=0.0537, R_W=0.0435 for 1652 unique reflections. The coordination numbers of samarium atoms are 17 and 18. For palladium and silicon atoms icosahedra and trigonal prisms with additional atoms are typical as coordination polyhedra. The structure of Sm_4Pd_4Si_3 is composed of fragments of the YPd_2Si and Y_3Rh_2Si_2 structure in a ratio 1:1. (orig.).

British Library Electronic Table of Contents (United Kingdom)

Porous phosphate heterostructures (PPH), functionalized with different ratios of aminopropyl and mercaptopropyl groups, labelled as Nx=5,25,50-PPH and Sx=5,25,50-PPH, respectively, were tested as adsorbents for Ni(II) and Hg(II) found in industrial sewage from electroplating processes and button battery recycling. X-ray diffraction was used to study the structures. The specific surface area of the pristine material (PPH) was 620m^2g^-^1, whereas the specific surface areas of the modified mercaptopropyl (S5-PPH) and aminopropyl (N5-PPH) were 472 and 223m^2g^-^1, respectively. The adsorption data were fitted to a Langmuir isotherm model. The S5-PPH material was saturated by 120mmol Hg(II) per 100g of material, whereas for Ni(II) adsorption, N25-PPH material displayed the highest adsorption w...

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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 ...

International Nuclear Information System (INIS)

The hot uniform aluminium plasma was produced by irradiating thin aluminium dotted foil smoothly with the 9th 0.53 ?m laser on Shenguang II laser facility. The emitted spectrum was measured from the front and tangential direction of the target with two crystal spectrometers, and the quantitative spectrum from the front of the target was obtained. The state of laser- produced plasma was simulated with the radiation hydrodynamics code MULTI-1D, and the emitted spectrum was calculated with the spectrum code of Collision-Radiation model under the simulated plasma state. The experimental spectrum accords with the simulated one. (authors)

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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 ...

Science.gov (United States)

The visible absorption spectra of 1,4-(dihydroxy)-9,10-anthraquinone and of Co(II), Ni(II), Cu(II) and Zn(II) chelates have been studied in different organic solvents. This system provides a model for the anthracycline antibiotics and their metal chelates. The band structure of the spectrum has been determined using the second and fourth derivatives of the spectrum. The visible absorption band of the parent molecule can be assigned to a single electronic state with a reduced dipole moment in the excited state; structure in this band is ascribed to two overlapping vibrational progressions. In contrast, the dianion (hydroxy protons removed) shows a single electronic state with an increased dipole moment in the excited state; structure in this band can be assigned to a single vibrational progression. All of the metal chelates show spectra which ...

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Peroxisome proliferator activated receptor-{gamma} (PPAR{gamma}) regulates metabolic homeostasis and adipocyte differentiation, and it is activated by oxidized and nitrated fatty acids. Here we report the crystal structure of the PPAR{gamma} ligand binding domain bound to nitrated linoleic acid, a potent endogenous ligand of PPAR{gamma}. Structural and functional studies of receptor-ligand interactions reveal the molecular basis of PPAR{gamma} discrimination of various naturally occurring fatty acid derivatives.

International Nuclear Information System (INIS)

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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Magnetic field, thickness and magnetic forming effect on general mode and quantitative parameters of the domain structure (DS) of ferrite-garnet (EuEr)/sub 3/(FeGa)/sub 5/O/sub 12/ monocrystalline plates (111) is investigated. Field interval of circle (cone) and ring domain stability is determined. It is shown that DS of ferrite-garnet crystals with uniaxial an6sotropy has some peculiarities, that can be explained by cubic anisotropy effect.

International Nuclear Information System (INIS)

An attempt has been made to grow L-tartaric acid nicotinamide (LTN); a complex of tartaric acid, by employing a modified unidirectional method. The crystalline structure and quality are investigated by single crystal XRD and rocking curve studies. The linear and nonlinear optical properties are studied by UV-vis-NIR spectral analysis, SHG test, phase matching and laser induced damage threshold measurement. For comparison, parallel growth of the crystal was carried out by conventional method and the properties of the LTN samples grown by the conventional and unidirectional methods are investigated. The mechanical, photoconductivity and dielectric behavior of LTN crystals are also investigated.

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Various chemical, physical, and mechanical methods to prevent unwanted deposition of mineral scale are described. The suitability of the different methods, which largely depends on the specific features and requirements of the system involved, is discussed. Special emphasis is placed upon the threshold treatment, where the growth process is retarded by the addition of trace amounts of growth inhibitors. Growth experiments have been performed on barium sulfate and calcium sulfate dihydrate seed crystals, suspended in a supersaturated solution with and without organic bisphosphonates as inhibitors. Two methods are selected for the analysis of the growth data. A degree of inhibition is defined to obtain a quantitative description of the influence of a growth inhibitor on the growth rate of the crystals. In addition the influence of the molecular structure of various bisphosphonates with different substituents is shown. The ...

British Library Electronic Table of Contents (United Kingdom)

Modifications of the structure and mechanical properties in LiF crystals irradiated with MeV-energy Au ions have been studied using nanoindentation, atomic force microscopy and optical spectroscopy. The nanostructuring of crystals under a high-fluence irradiation (above 1013 ions/cm2)?was?observed. Nanoindentation tests show a strong ion-induced increase of hardness (up?to 150?200%), which is related to the high volume concentration of complex color centers, defect aggregates, dislocation loops and grain boundaries acting as strong barriers for dislocations. From the?depth profiling of the hardness and energy loss it follows that both nuclear and electronic stopping mechanisms of MeV Au ions contribute to the creation of damage and hardening. Whereas the electronic stopping is dominating i...

International Nuclear Information System (INIS)

The absorption spectra of an unoriented single crystal of the title compound (1) have been measured at room and at low temperatures. Assuming a similar sequence of crystal field (CF) levels as for the previously analyzed Nd[N(SiMe_3)_2]_3 (2) a truncated CF splitting pattern is derived from the spectra obtained. The parameters of an empirical Hamiltonian are fitted to the energies of 71 levels to give an r.m.s. deviation of 24.2 cm"-"1. The parameters obtained are compared with those of 2 and Nd[N(SiMe_3)_2]_3(CNC_6H_1_1)_2 (3). The observed trends of CF parameters are consistent with the results of simple model calculations in the framework of the angular overlap model. (orig.)

International Nuclear Information System (INIS)

The present communication deals with the synthesis, single crystal growth and characterization of a new nonlinear optical material L-proline strontium chloride monohydrate (L-PSCM). Single crystals have been grown using the slow solvent evaporation technique. Single crystal XRD analysis confirmed that the crystal belongs to the orthorhombic structure with lattice parameter a=6.6966(3) A, b=12.4530(5) A, c=15.2432(5) A and space group P2_12_12_1. Presence of various functional groups in L-PSCM and protonation of the ions were confirmed by Fourier transform infrared spectroscopy (FT-IR) analysis. The melting point of the single crystal was found to be 126 "oC using DSC. Ultraviolet-visible spectral analyses showed that the crystal has low UV cut-off at 226 nm combined with very good transparency of 90% in a wide range. The optical band gap was ...

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This paper reports on hydrolysis of 10 metal salt aqueous solutions of 6 metal oxides that was conducted in supercritical water. Continuous and rapid production of metal oxide fine particles was achieved by mixing a metal salt aqueous solution with preheated water fed from another line. The reaction time required was less than 2 min. Particle size, morphology, and crystal structure of the obtained metal (hydrous) oxides were examined. Particle size (20 to 600 nm) was different among the system but the size range was relatively narrow in all the cases.

International Nuclear Information System (INIS)

A complete electron paramagnetic resonance power pattern characterization of Fe"3"+ in cubic sites in presented. A one-to-one correspondence among the peaks appearing in the powder pattern and the outer fine-structure transitions (Mnot = 1/2 ) observed in the single crystal along the , , and directions is shown. It is shown that the process of mechanically grinding the single crystal to a powder (particle size approx.1--10 #mu#) does not remove the cubic symmetry sites. No axial or lower symmetry sites which may be induced by lattice distortion of the crystallites due to strain have been observed.

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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 ...

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In order to employ molecular dynamics (MD) methods, commonly used in condensed matter physics, we have derived the equations of motion for a beam of charged particles in the rotating rest frame of the reference particle. We include in the formalism that the particles are confined by the guiding and focusing magnetic fields, and that they are confined in a conducting vacuum pipe while interacting with each other via a Coulomb force. Numerical simulations using MD methods has been performed to obtain the equilibrium crystalline beam structure. The effect of the shearing force, centrifugal force, and azimuthal variation of the focusing strength are investigated. It is found that a constant gradient storage ring can not give a crystalline beam, but that an alternating-gradient (AG) structure can. In such a machine the ground state is, except for one-dimensional (1-D) crystals, time dependent. The ground state is a zero entropy ...

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.

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The main results of earlier work by the author, Sushko, and Khoruzhii describing the algebraic structure of quantum-field systems with (discrete) vacuum superselection rules are generalized to the large class of Wightman theories with essentially self-adjoint field operators (a very strong restriction was imposed on the theory, namely, that the polynomial Op algebra of the Wightman fields /rho/ belongs to the class II, i.e., /rho/ /sub s'/ =/rho/ /sub w'/). It is also shown that the field Op algebra of a Wightman theory with discrete vaccum superselection rule possesses a class II extension.

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The crystallization dynamics of Nylon 66/Nylon 48 blends, the crystalline/crystalline polymer blend, was analyzed by differential scanning calorimetry (DSC) under isothermal conditions. The equilibrium melting temperature (T{sub m}{sup 0}), crystal growth rate (G) and the nucleation rate (N) depended on both the degree of supercooling ({delta}T) and the blend fraction (phi). The {delta}T/T{sub m}{sup 0} values obtained at the fixed G, which corresponded to the chemical potential different between molecules in the liquid and the crystal states, and the surface free energy parameters evaluated from G and N depended on phi for blends. The results suggested that Nylon 66/Nylon 48 blends are miscible in all blend fractions. The result agrees with the intermolecular interaction parameter ({chi}) obtained from T{sub m}{sup 0} depression. Infrared spectroscopic and X-ray diffraction data indicated that the hydrogen bond became weak ...

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A liquid crystal display panel (LCD) has come into use as a display device for a stationary telephone set. This LCD driving IC requires high functionality and miniaturization. At Fuji Electric Co.,Ltd., in accordance with the demand, an LCD controller driver IC was developed which incorporates an icon display circuit and a voltage generating circuit for liquid crystal. The main features are as follows. In addition to 5 x 8 (dot), 16 digits, 2 line character display, the IC is equipped with independently controllable 32 kinds of icon displays. The power supply voltage operating range is 2.4-5.5V. Additional external parts are unnecessary because of a built-in CR oscillation circuit, power supply circuit for liquid crystal, and a boosting circuit. The IC is provided with a gold bump electrode structure mountable with COG (Chip On Glass) and TAB (Tape Automated Bonding). (NEDO)

Science.gov (United States)

Silanization of the silica gel surface in the synthesis of silica gel polyamine composites uses (chloropropyl)-trichlorosilane (CPTCS). It is possible to substitute a molar fraction of reagent CPTCS with methyltrichlorosilane (MTCS), creating a mixed silane surface layer. Two types of silica gels were modified with a series of MTCS:CPTCS molar ratios. Solid-state CP/MAS 29Si and 13C NMR spectroscopies were used to evaluate the surface silane composition. Surface silane coverage was markedly improved for the resulting gels. When polyamines were grafted to the resultant MTCS:CPTCS silane layers, it was shown that the decrease in the number of propyl attachments to the polyamine resulted in increased quantities of ''free amines''. Optimum MTCS:CPTCS ratios were determined for three polyamines grafted onto one silica gel. A substantial free amine increase was observed for poly(allylamine) (PAA). Metal uptake studies show increases in ...

Science.gov (United States)

Escherichia coli spheroplast protein y (EcSpy) is a small periplasmic protein that is homologous with CpxP, an inhibitor of the extracytoplasmic stress response. Stress conditions such as spheroplast formation induce the expression of Spy via the Cpx or the Bae two-component systems in E. coli, though the function of Spy is unknown. Here, we report the crystal structure of EcSpy, which reveals a long kinked hairpin-like structure of four ?-helices that form an antiparallel dimer. The dimer contains a curved oval shape with a highly positively charged concave surface that may function as a ligand binding site. Sequence analysis reveals that Spy is highly conserved over the Enterobacteriaceae family. Notably, three conserved regions that contain identical residues and two LTxxQ motifs are placed at the horizontal end of the dimer structure, stabilizing the overall fold. CpxP also contains the conserved ...

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The structure of hydroxylated oxide films (passive films) formed on Cr(110) in 0.5 M H{sub 2}SO{sub 4} at +0.35, +0.55, and +0.75 V/SHE has been investigated by in situ scanning tunneling microscopy (STM). Cathodic reduction pretreatments at {minus}0.54, {minus}0.64, and {minus}0.74 V/SHE destroy the well-defined topography of the single-crystal electrode and they have been excluded from the passivation procedure. Two different passive film structures have been observed, depending on the potential and time of passivation. At low potential (+0.35 V/SHE), the passive film, consisting mostly of chromium hydroxide, has a noncrystalline and granular structure whose roughness suggests local variations of thickness of ca. {+-} 0.5 nm. A similar structure is observed at higher potential (+0.55 V/SHE), but only for a short polarization time. For longer polarization at 0.55 V/SHE, and at ...

International Nuclear Information System (INIS)

Tl(InS_2)_1_-_x(FeSe_2)_x single crystals (where x=0; 0.001; 0.005; 0.01 and 0.015) were grown by the Bridgman-Stockbarger method. Obtained single crystals were crystallized in monoclinic structure. The present paper deals with experimental results relative to X-ray dosimetric characteristics of the Tl(InS_2)_1_-_x(FeSe_2)_x solid solutions at 300 K. Installation URS-55a was the source of radiation. X-ray radiation dose (E) falling on the crystals is measured by the crystalline X-ray dosimeter DRGZ-02. The value of X-ray conductivity coefficient K_#sigma# characterising X-ray sensitivity is defined as K_#sigma#= (#sigma#_E-#sigma#_0)/E#sigma#_0. where #sigma#_E is conductivity under the effect of X-ray radiation by intensity E, #sigma#_0 is conductivity in the lack of radiation. Comparing X-ray dosimetric characteristics of TlInS_2 and Tl(InS_2)_1_-_x(FeSe_2)_x ...

International Nuclear Information System (INIS)

In this work, new LaSi3N5:Ce3+ phosphors have been synthesized by solid-state reaction. Rietveld refinement of the crystal structure of La1-xCexSi3N5 reveals that Ce atoms substituted for La atoms occupy 4a crystallographic positions. Broad emission and excitation bands observed were attributed to the transitions between the doublet ground state of the 4f1 configuration and the crystal field components of the 5d1 excited state. At 77 K, the centroid and crystal field splitting ?cfs of the 5d levels of Ce3+ in LaSi3N5:Ce3+ compounds were valuated at 33.4x103 and 11.3x103 cm-1, respectively. The zero-phonon line and the Stokes shift were measured to be 26.0x103 and 5.0x103 cm-1, respectively.

International Nuclear Information System (INIS)

In the present study, Fe_4_1Co_4_1 B_1_0Zr_7Cu_1 alloy has been investigated in order to evaluate its thermal stability and structure after heat treatment, as well as the impact of heat treatment on magnetic properties. X-ray diffractometry, differential scanning calorimetry, chemical composition microanalysis, transmission electron microscopy, and magnetic hysteresis loop measurement techniques were employed. The crystallization temperature of the as-quenched alloy is 490"oC (continuous heating at 5 "oC/min). The melt spun ribbon having 27 #mu#m in thickness was annealed for 1 hour at temperatures from 400 to 700 "oC. The alloy after treatment at about 550"oC underwent primary crystallization, with the average size of crystals under 20 nm. This specimen shows the coercive field of 38 A/m, as compared to about 160 A/m reported for a similar alloy (Fe_4_4Co_4_4B_4Zr_7Cu_1) with a similar ...

Energy Technology Data Exchange (ETDEWEB)

The crystal structure of borophosphates ABPO{sub 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{sub 5} crystallize in a centrosymmetric space group P3{sub 1}21 and their structure is related to the borogermanates REBGeO{sub 5} with a stillwellite-type structure. Pr{sup 3+} ion was used as a local structural probe to corroborate the structural resolution results. Absorption and fluorescence spectra of A{sub 1-x}Pr{sub x}BP{sub 1-x}Ge{sub x}O{sub 5} (A alkaline earth or Pb; x = 0.05) have been investigated at different temperatures. At 9 K the 3{sup H}{sub 4}{yields}{sup 3}P{sub 0} transition of trivalent praseodymium ion (4f{sup 2} configuration) is observed as a single line. This indicates a unique crystallographic site for the rare earth ...

International Nuclear Information System (INIS)

The synthesis, crystal structure, thermal stability and absorbance spectra of perovskite-type oxynitrides with the general formula SrTi1-xNbx(O,N)3 (x=0.05, 0.10, 0.20, 0.50, 0.80, 0.90, 0.95) have been investigated. Oxide samples were prepared by a polymerized complex synthesis route and post-treated under ammonia at 850 oC for 24 h to substitute nitrogen for oxygen. Synchrotron X-ray powder diffraction (XRD) evidenced that the mixed oxide phases were all transformed into oxynitrides with perovskite-type structure during a thermal ammonolysis. SrTi1-xNbx(O,N)3 with compositions x?0.80 crystallized in a cubic and samples with x?0.90 in a tetragonal structure. The Rietveld refinement indicated a continuous enlargement of the lattice parameters towards higher niobium content of the samples. Thermogravimetric analysis (TGA) and hotgas extraction revealed the dependence of the nitrogen ...

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The authors present results of grazing incidence X-ray diffraction studies concerning the effect of pH (and thus, of headgroup dissociation) on Langmuir monolayers of fatty acids, in the absence of any divalent cations in the aqueous subphase. An increase in pH transforms the distorted-hexagonal S phase first to the partially disordered Rotator-I phase with less distortion, and then to the completely disordered Rotator-II phase with an undistorted hexagonal structure. The S-Rotator-I and Rotator-I-Rotator-II transitions are pushed to lower temperatures with increase in pH. The fact that the effects of pH increase are almost identical to the effects of increasing temperature indicates the important role of headgroup-headgroup interactions in these monolayer phases.

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Ion Beam Induced Luminescence (IBIL) and Ion Beam Induced Charge Collection (IBICC) have been applied in the study of the luminescence emission efficiency and investigation of the homogeneity of the luminescence emission in phosphors. The IBIL imaging was performed by using sharply focused ion beams or broad/partially-focused ion beams. The luminescence emission homogeneity in samples was examined to reveal possible distributed crystal-defects that may lead to the inhomogeneity of the luminescence emission in samples.The purpose of the study is to search for suitable luminescent thin films that have high homogeneity of luminescence emission, large IBIL efficiency under heavy ion excitation, and can be placed as a thin layer on the top of microelectronic devices to be analyzed with Ion Photon Emission Microscopy (IPEM). The emission yield was found to be low for organic materials, due to saturation of the light output dependence on the energy deposition of heavy ...

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Clays and zeolites are among the most important of natural dusts by virtue of their occurrence through out the world on the earth`s surface and their important industrial uses. (The 1:1 layer silicates, including the serpentine and kaolin minerals, are not addressed in this chapter.) This chapter provides basic information on a variety of important aspects of each mineral, including crystal structure diagrams of each and references to more detailed discussions. 110 refs., 20 figs.

CERN Document Server

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

UK PubMed Central (United Kingdom)

The p90 ribosomal S6 kinases (RSKs) also known as MAPKAP-Ks are serine/threonine protein kinases that are activated by ERK or PDK1 and act as downstream effectors of mitogen-activated protein kinase...Full Text Available

UK PubMed Central (United Kingdom)

Motor proteins couple steps in ATP binding and hydrolysis to conformational switching both in and remote from the active site. In our kinesin·AMPPPNP crystal structure, closure of the active...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

Crystallography and computer modeling have been used to exploit a previously unexplored channel in the glucocorticoid receptor (GR). Highly potent, nonsteroidal indazole amides showing excellent complementarity to the channel were designed with the assistance of the computational technique AlleGrow. The accuracy of the design process was demonstrated through crystallographic structural determination of the GR ligand-binding domain-agonist complex of the D-prolinamide derivative 11. The utility of the channel was further exemplified through the design of a potent phenylindazole in which structural motifs, seen to interact with the traditional GR ligand pocket, were abandoned and replaced by interactions within the new channel. Occupation of the channel was confirmed with a second GR crystal structure of this truncated D-alaninamide derivative 13. Compound 11 displays properties compatible with ...

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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 ...

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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 ...

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AuxZn1-x alloys undergo a shape memory martensitic transformation whose temperature and nature (continuous or discontinuous) is strongly composition dependent. Neutron diffraction experiments were performed on single crystals of x=50 and 52 to explore the structural changes occurring at the transition temperature. A transverse modulation with wavevector q0=(1/3,1/3,0) develops below the transition temperature, with no observable change in lattice parameter. However, the Bragg peak width shows a broadening suggesting an unresolved rhombohedral distortion similar to what has been observed in NiTi-Fe alloys.

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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.

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

The structure of ammonium azide (NH_4)N_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"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)

CERN Document Server

LHC Collimation with Bent Crystals (LUA9) Letter of Intent

British Library Electronic Table of Contents (United Kingdom)

A novel difunctional acylhydrazone has been synthesized by the reaction of 5-methylisoxazole-4-carboyl hydrazine with benzaldehyde and characterized by X-ray crystallography and spectroscopy. The obtained results demonstrate the crystal belongs to triclinic, space group Formula Not Shown . Moreover, the spectroscopic properties were evaluated through density functional theory (DFT) and time-dependent density functional theory (TD DFT) calculations. The results reveal that UV-Vis absorption peaks at 194, 217.5 and 290.5nm are mainly attributed to (p, p)p*, partly (p, p)p* and partly pp*, and predominantly pp*, respectively, with intraligand charge-transfer transition (ILCT) character. The fluorescence emission peak at 485.96nm should be assigned to ILCT. In addition, the results of antibact...

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The spectroscopic properties of Pr{sup 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{sub s} point symmetry of the site occupied by the rare earth, in both structures.

British Library Electronic Table of Contents (United Kingdom)

We investigate two routes to obtain negative group velocity bands in two-dimensional phononic crystal structures. The negative dispersion originates from the resonances of sub-wavelength building blocks and as such, the system should be regarded as acoustic metamaterials. The first kind of acoustic metamaterial exhibits effectively negative bulk modulus and negative mass density simultaneously. Monopolar and dipolar Mie resonances are combined to achieve an effective medium with negative refractive index. In particular, we present a double negative metamaterial for airborne sonic waves. We then show that we can obtain negative group velocity from quadrupole resonances, and the result is explained using the quasi-static approximation. The negative dispersion in quadrupole bands cannot be de...

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Both simulations and recent experiments conducted at the Advanced Photon Source showed that the performance of liquid-nitrogen-cooled single-silicon crystal monochromators can degrade in a very rapid nonlinear fashion as the power and for power density is increased. As a further step towards improving the performance of silicon optics, we propose cooling with liquid helium, which dramatically improves the thermal properties of silicon beyond that of liquid nitrogen and brings the performance of single silicon-crystal-based synchrotrons radiation optics up to the ultimate limit. The benefits of liquid helium cooling as well as some of the associated technical challenges will be discussed, and results of thermal and structural finite elements simulations comparing the performance of silicon monochromators cooled with liquid nitrogen and helium will be given.

British Library Electronic Table of Contents (United Kingdom)

A galactose-specific seed lectin was purified from the legume Spatholobus parviflorus and crystallized using the hanging-drop vapour-diffusion technique. Thecrystals belonged to space group P1, with unit-cell parameters a = 60.998, b=60.792, c = 78.179-, = 101.32, = 91.38, = 104.32. X-ray diffraction data were collected under cryoconditions (100-K) to a resolution of 2.04- using a MAR image-plate detector system mounted on a rotating-anode X-ray (Cu-K) generator. Molecular replacement using legume-lectin coordinates as a search model gave a tetrameric structure.

UK PubMed Central (United Kingdom)

Telavancin is a bactericidal lipoglycopeptide with a multifunctional mechanism of action. We conducted a randomized, double blind, active-control phase II trial. Patients ≥18 years of age with...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

Reaction kinetics for the displacement of 5-aminoquinoline (5-Aq) and diethyl sulfide (SEt{sub 2}) from cis-[PtPh{sub 2}(CO)(L)] (L = 5-Aq or SEt{sub 2}) by aliphatic amines was measured for a wide array of amines. Reaction products were characterized by IR and NMR spectroscopies and crystalk structures of selected products were reported. Steric effects on the substitutions were discussed.

British Library Electronic Table of Contents (United Kingdom)

The Physikalisch-Technische Bundesanstalt (PTB), Germany's national metrology institute, developed an alignment strategy to specify elemental depth profiling in vertical sidewall layers on structured wafers. For this purpose, PTB's irradiation chamber for 200?mm and 300?mm silicon wafers was used to combine total-reflection X-ray fluorescence (TXRF) and grazing incidence XRF (GIXRF) techniques by employing monochromatized undulator radiation of the BESSY II electron storage ring. 3-D test structures were fabricated to develop an optimal alignment strategy allowing for depth profiling in such nanolayers. The test structures consisted of silicon bars with widths/spacings either in the ?m or in the nm range. In order to be able to differentiate the sidewalls more easily from the remainder of ...

International Nuclear Information System (INIS)

Single-crystal neutron diffraction has been used to observe the interactions between deuterated ethanol (CD3CD2OH) and lysozyme in triclinic crystals of hen egg white lysozyme soaked in 25% (v/v) ethanol solutions. A total of 6047 observed reflections to a resolution of 2 A were used, and 13 possible ethanol sites were identified. The three highest occupied sites are close to locations for bromoethanol found in an earlier study by Yonath et al. [Yonath, A., Podjarny, A., Honig, B., Traub, W., Sielecki, A., Herzberg, O., and Moult, J. (1978) Biophys. Struct. Mech. 4, 27-36]. Structure refinements including a model for the flat solvent lead to a final crystallographic agreement factor of 0.097. Comparison with earlier neutron studies on triclinic lysozyme showed that neither the molecular structure nor the thermal motions were affected significantly by the ethanol. A detailed analysis of the ...

International Nuclear Information System (INIS)

New rare earth metal rich cadmium compounds RE_4CoCd and RE_4RhCd (RE = Tb, Dy, Ho) were prepared by high-frequency melting of the elements in sealed tantalum tubes. The samples were studied by x-ray powder and single-crystal diffraction. All the compounds crystallize with Gd_4RhIn-type structure, with space group F4-bar3m. The structures are built up from rigid three-dimensional networks of condensed, cobalt (rhodium) centred trigonal RE_6 prisms. The voids left by these networks are filled by Cd_4 cluster units and the coordination number 14 polyhedra of the RE1 atoms. The terbium and dysprosium compounds in both series undergo antiferromagnetic ordering, whereas the holmium compounds exhibit ferromagnetic ordering. The magnetic ordering in these compounds is characterized by broad peaks around the transition temperatures. The results of detailed crystallographic investigations and preliminary ...

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The in-plane resistivity, in-plane absolute thermopower, and upper critical field measurements are reported for single-crystal samples of YNi{sub 2}B{sub 2}C and LuNi{sub 2}B{sub 2}C superconductors. The in-plane resistivity shows metallic behavior and varies approximately linearly with temperature near room temperature (RT) but shows nearly quadratic behavior in temperature at low temperatures. The YNi{sub 2}B{sub 2}C and LuNi{sub 2}B{sub 2}C single-crystal samples exhibit large transverse magnetoresistance ({approx}6{endash}8{percent} at 45 kOe) in the ab plane. The absolute thermopower S(T) is negative from RT to the superconducting transition temperature T{sub c}. Its magnitude at RT is a few times of the value for a typical good metal. S(T) is approximately linear in temperature between {approx}150 K and RT. Extrapolation to T=0 gives large intercepts (few {mu}V/K) for both samples suggesting the presence of a much larger ...

International Nuclear Information System (INIS)

The diameters d/sub r/ of inner ring structures in disk galaxies are used as geometric distance indicators to derive the distances of 453 spiral and lenticular galaxies, mainly in the distance interval 4<#delta#<63 Mpc. The diameters are weighted means from the catalogs to Kormendy, Pedreros and Madore, and the authors. The distances are calculated by means of the two- and three-parameter formulae of Paper II; the adopted mean distance moduli #mu#"0(r) have mean errors from all sources of 0.6--0.7 mag for the well-observed galaxies.

Energy Technology Data Exchange (ETDEWEB)

The magnetic properties of a single crystal of SmNiSn with the orthorhombic {epsilon}-TiNiSi-type crystal structure have been investigated by magnetic susceptibility, magnetization and electrical resistivity measurements from 1.5 K to room temperature. Two anomalies have been found in the magnetic susceptibility, indicating an antiferromagnetic phase transition at T{sub N}=9.4 K and a second transition at 4.4 K. A large magnetic anisotropy has been found at low temperatures in the temperature and field dependencies of magnetic susceptibility and magnetization. Below 80 K, the easy axis of the magnetization is the c-axis. At T=2.0 K, the c-axis magnetization curve exhibits metamagnetic-like behavior at H{sub c}=42 kOe and reaches 0.54 emu/g at H=55 kOe, whereas for the a- and b-axis the magnetization is linear and smaller. The paramagnetic susceptibilities do not follow the Curie-Weiss law suggesting a large van Vleck ...

Science.gov (United States)

Photorefractives, in general, are among the most promising materials solutions to real time optical correlation. Applications include military target recognition and civilian robotic vision. Crystals of sillenite structure photorefractives, Bi12XO20, where X equals Si, Ge, or Ti, have been grown by melt techniques and in the case of bismuth silicon oxide (BSO) and bismuth titanium oxide (BTO) by the hydrothermal method of high-temperature/high-pressure solution growth. The two growth methods are discussed and crystals grown by the two methods are compared in this paper. Optical absorption and TSC studies show that hydrothermal BSO is essentially free of the native antisite Bi defect which usually acts as a donor. These studies also show that the trap density is greatly reduced in hydrothermal material. Preliminary experiments show that hydrothermal BTO crystals have improved properties over melt grown ...

International Nuclear Information System (INIS)

A phenomenological simulation was carried out for 41 experimental crystal-field (CF) levels within the "4I_9_/_2_-_1_5_/_2, "4F_3_/_2_-_9_/_2, "4S_3_/_2 and "2H_9_/_2 J manifolds, including the available infrared (IR) data up to #approx#15 000 cm"-"1 for the Nd"3"+ ions in the Nd_2CuO_4 single crystals. The CF Hamiltonian for the tetragonal C_4_v symmetry was diagonalized together with the free-ion Hamiltonian in a basis that spans the entire 4f"3 configuration. A rms error of 9 cm"-"1 between the calculated and experimental energy level schemes was obtained. A comparison of the spectra in the visible region between the insulating Nd_2CuO_4 and the metallic Nd_2_-_xCe_xCuO_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)

A method that employs simultaneous neutron and #gamma#-ray diffraction techniques is proposed for accurate measurements of strains with or without an applied electric field (0-100 kV m"-"1). Instead of an absolute determination of the position of the neutron Bragg peak, a relative measurement of the neutron and #gamma# peak positions is used and allows a determination of the lattice-parameter changes with an accuracy of within 2 x 10"-"6. This technique avoids systematic errors originating in sample rotations by taking advantage of a reference directly related to the crystal lattice. The method appears to be particularly important for crystals that exhibit structural phase transitions, as demonstrated by the measurement of the strain U_x_x in KH_2PO_4 crystals as a function of temperature and applied electric field. In this case the errors would amount to #+-#20%. The results demonstrate the need to ...

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...

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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.

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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.)

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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 ...

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The intermediate silicon layers detector (ISL) was proposed as a part of the upgraded CDF detector at the RUN-II of the Tevatron mean value of pp collider at Fermilab, scheduled to start in year 2000. The ISL is a large-radius (20-30 cm) silicon tracker with a total active area of about 3.5 m. Located in the region between the silicon vertex detector and the central outer tracker, the ISL will allow tracking in the forward region and significantly improve it in the central area. Together with the SVX II the ISL forms a standalone, 3D silicon tracker. The challenge is to build a low-cost device which provides precise 3 D tracking in a approximately equal to 2 m long area with a minimal amount of material for the supporting structure. The conceptual design and the status of the project are reviewed.

CERN Document Server

X11 Desktop Environments (KDE and GNOME) - Part II

British Library Electronic Table of Contents (United Kingdom)

Abstract A series of small phosphazene ligands with pendant 6-phenyl-2,2--bipyridyl moieties, namely L1 [N3P3(OPh)5(OPhbpyPh)], L2 [N3P3(biph)2(OPhbpyPh)2], L3 [N3P3(tBubiph)2(OPhbpyPh)2], L4 [N3P3(biph)2(OPhbpyPh)Cl] and L5 [N3P3(biph)2(OPhbpyPh)(OPh)] [OPhbpyPh = 4-(4-phenoxy)-6-phenyl-2,2--bipyridine, OPh = phenoxy, biph = 2,2--oxybiphenyl and tBubiph = 4,4--di-tert-butyl-2,2--oxybiphenyl], have been used to synthesise the new cyclometallated palladium(II) and platinum(II) complexes [(L1-H)PdCl], [(L1-H)PtCl], [(L1-H)(PdCl)2], [(L3-H)(PdCl)2], [(L4-H)PtCl], [(L5-H)PtCl] and the rhenium(I) complex [L5Re(CO)3Cl]. Single-crystal X-ray diffraction analysis was performed on the free ligand L2 and the palladium complexes [(L1-H)PdCl] and [(L3-H)(PdCl)2]. In both PdII complexes, the metal cent...

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Titanium oxides were grown anodically to selected final potentials on grade II polycrystalline titanium under different anodization rates. XPS and RBS results show that the oxide consists of primarily TiO2 with a non-stoichiometric oxide/metal interface, with the slower growth rate associated with a thicker layer at the interface. Characterization using TEM reveals that the structure of the oxide evolves from a primarily amorphous phase to islands of crystallites in an amorphous matrix, to an entirely crystalline phase by increasing the polarization potential. Slower growth rates tend to remain crystalline at higher potentials. The mechanical strength of oxide films extracted from load-depth data by nanoindentation varies dramatically for oxide films grown by different rates at 9.4 V, and to a lesser extent at lower potentials. The variation of film strength is associated with both compositional and structural ...

International Nuclear Information System (INIS)

Electron charge distributions are presented for Nb_3Ge, Nb_3Al, and two other hypothetical A-15 structures. Results indicate that the bonding in these materials is mainly metallic in character with some covalentlike bonding between Nb-chain atoms. We find significant coupling between neighboring chains and also between chain atoms and atoms at the cubic site. Comparison is made with various theoretical models. Investigation of the charge character of states near E/sub F/ suggests further developments in current theories on the structural transformation of A-15 compounds. The effect of chain dimerization on electronic states and charge distribution of Nb_3Ge is also investigated.

Science.gov (United States)

Electron charge distributions are presented for Nb/sub 3/Ge, Nb/sub 3/Al, and two other hypothetical A-15 structures. Results indicate that the bonding in these materials is mainly metallic in character with some covalentlike bonding between Nb-chain atoms. We find significant coupling between neighboring chains and also between chain atoms and atoms at the cubic site. Comparison is made with various theoretical models. Investigation of the charge character of states near E/sub F/ suggests further developments in current theories on the structural transformation of A-15 compounds. The effect of chain dimerization on electronic states and charge distribution of Nb/sub 3/Ge is also investigated.

International Nuclear Information System (INIS)

The Yb"3"+-doped non-linear rare-earth calcium oxoborate crystals GdCa_4O (BO_3)_3 (GdCOB) and YCa_4O(BO_3)_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"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"3"+ in a Ca"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 features in YCOB:Yb spectra is pointed out. (author)

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.

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The reaction of the chelating ligands (obtained by the condensation of 2-hydroxy-1-naphthaldehyde with various primary amines) with [RuHCl(CO)(EPh3)2(B)] (where E=P; B=PPh3, py or pip: E=As; B=AsPh3) in benzene afforded new stable ruthenium(II) carbonyl complexes of the general formula [Ru(Cl)(CO)(EPh3)(B)(L)] (L=anion of bidentate Schiff bases). The structure of the new complexes was investigated using elemental analyses, spectral (FT-IR, UV-vis and 1H NMR) and electrochemical studies and is found to be octahedral. All the metal complexes exhibit characteristic MLCT absorption and luminescence bands in the visible region. The luminescence efficiency of the ruthenium(II) complexes was explained based on the ligand environment around the metal ion. These complexes catalyze oxidation of prim...

International Nuclear Information System (INIS)

The tool materials durability problem, in particular shock and wear resistance, has allowed to formulate a set of requirements and also to stablish the dependence between physical properties and wear. However, for understanding the nature of the process, for example determining the tribological property of the cutting tool, it is necessary to consider the atom interactions in a crystal. A theoretical study of the physical properties of cutting tool materials (W-Ti-C) with varying concentration of titanium is presented. Total and partial local electronic density for each atom in such hard solutions were calculated. (nevyjel)

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

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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.

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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.).

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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.).

Energy Technology Data Exchange (ETDEWEB)

The structure of Bi/sub 1.8/Ce/sub 0.2/(MoO/sub 4/)/sub 3/ has been refined with powder neutron diffraction data by the Rietveld method. The structure can be derived by severely distorting the scheelite structure (AMO/sub 4/) and is perhaps better written A/sub (2/3)/phi/sub (1/3)/MO/sub 4/, where phi = cation vacancy. Of the two bismuth atom sites, cerium preferentially occupies the more symmetric of the two (Bi(2) in the structure) with some cerium found in the scheelite subcell vacancies also. This site preference is understood by examining the symmetries of the two Bi sites. Crystal data: monoclinic, space group P2/sub 1//c, Z = 4, a = 7.697(2), b = 11.535(3), c = 11.944(3), ..beta.. = 115.19.

International Nuclear Information System (INIS)

Y2Te4O11:Eu3+ and Y2Te5O13:Eu3+ single crystals in sub-millimeter scale were synthesized from the binary oxides (Y2O3, Eu2O3 and TeO2) using CsCl as fluxing agent. Crystallographic structures of the undoped yttrium oxotellurates(IV) Y2Te4O11 and Y2Te5O13 have been determined and refined from single-crystal X-ray diffraction data. In Y2Te4O11, a layered structure is present where the reticulated sheets consisting of edge-sharing [YO8]13- polyhedra are interconnected by the oxotellurate(IV) units, whereas in Y2Te5O13 only double chains of condensed yttrium-oxygen polyhedra with coordination numbers of 7 and 8 are left, now linked in two crystallographic directions by the oxotellurate(IV) entities. The Eu3+ luminescence spectra and the decay time from different energy levels of the doped compounds were investigated and all detected emission levels were identified. Luminescence properties of the Eu3+ ...

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A series of novel triazolinones were synthesized and their structures were characterized by 1H NMR, elemental analysis and single-crystal X-ray diffraction analysis. The herbicidal activities were evaluated against Echinochloa crusgalli (L.) Beauv., Digitaria adscendens, Brassica napus and Amaranthus retroflexus. The herbicidal activity data indicated that the title compounds had higher activities with substituted benzyl group moieties than with other groups such as sulfonyl, alkyl, etc. To further investigate the structure-activity relationship, comparative molecular field analysis was performed on the basis of herbicidal activity data. Both the steric and electronic field distributions of comparative molecular field analysis are in good agreement in this work. The results showed that a b...

International Nuclear Information System (INIS)

Three new phases with compositions, LaSr_2FeTiO_7, NdSr_2FeTiO_7 and GdSr_2FeTiO_7, were prepared by the traditional ceramic method. Lazy-Pulverix analysis of the X-ray diffraction data suggests that the phases crystallize in the RP-type (n = 2) structure in the space group, I4/mmm. The cell dimensions along the c-axis decrease with decrease in size of the rare earth ions. Electrical resistivity, as a function of temperature, shows that the materials are insulators and the resistivity decreases with decrease in the size of the rare earth ion, which is attributed to increase in the three-dimensional character. (author)

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The pore structure of volcanic clasts is examined using measurements of porosity, permeability, and electrical properties. Permeability varies by several orders of magnitude among volcanic clasts and does not depend solely upon porosity. Electrical property measurements of saturated volcanic samples illustrate the influence of pathway tortuosity and pore shape on permeability. For equivalent eruption conditions, silicic samples show higher tortuosities, smaller vesicle sizes, and lower permeabilities than mafic samples. These differences are largely due to variations in vesiculation and crystallization history. Differences between explosive and effusive samples reflect the relative ability of bubbles to form and maintain connected pathways during bubble expansion and collapse. Isotropic sa...

International Nuclear Information System (INIS)

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

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LCTs (liquid crystal thermosets) have significant potential as a new class of structural materials. Through appropriate processing techniques using magnetic fields, the authors can orient the liquid-crystalline molecules and significantly improve the mechanical properties of the material. Most notably, the use of magnetic field processing can increase the tensile modulus threefold over the modulus in the unoriented material. This modulus value is only obtained in conventional epoxies in highly filled systems. Further investigation of the full set of mechanical properties of oriented LCTs will validate their approach to processing these materials. In the long run, the development of an economical and viable route to oriented LCTs will provide opportunities to expand the use of lightweight polymers in structural applications.

International Nuclear Information System (INIS)

The purpose of this work is the elucidation of the f"n electronic structure of neutral mono base adducts derived from tris(#eta#"5-cyclopentadienyl)-lanthanide(III) (Cp_2Ln). The available data on related compounds like bis adducts and anionic mono adducts of the same moiety was also analyzed. The first aim was to derive the experimental crystal field splitting pattern from optical, magnetooptical and magnetochemical measurements and to reproduce it using an empirical Hamiltonian operator. The eigenvalues and eigenvectors obtained in this manner were used for a quantitative interpretation of the magnetochemical, EPR- and NMR-spectroscopic properties. For the latter subject it was necessary to develop an own procedure for the NMR analysis of paramagnetic compounds. This method is based on factor analysis and as demonstrated in the second part of this work, is clearly superior to all previous procedures. (orig.).

International Nuclear Information System (INIS)

A general theoretical scheme to describe the effective modulus and mass density for acoustic metamaterials is presented. For such a purpose, an effective medium theory of a one-dimensional acoustic waveguide containing subwavelength-sized Helmholtz resonators is formulated. It is shown that, when the wavelength is much larger than the periodic length and the size of the resonators, the whole composite structure can be treated as an effective homogeneous medium in accounting for its acoustic properties. It is also shown that the acoustic characteristics, such as the effective modulus and the effective mass density, can be determined precisely from the transmission and the reflection data. The calculated effective modulus and effective mass density confirm that this structure behaves as a homogeneous metamaterial with a negative effective modulus in a frequency range just above the resonant frequency.

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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. (auth)

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A new strontium metal-organic framework, [Sr2(BTEC)(H2O)4] 2H2O (1) (H4BTEC=benzene-1,2,4,5-tetracarboxylic acid), has been successfully synthesized by mixing the starting reagents. The single-crystal structure analysis showed that compound 1 displayed three-dimensional structures containing inorganic motifs with two-dimensional layers pillar-connected through organic linkers and forming water-coordinated neutral framework. Further studies revealed that compound 1 was insoluble in water and that it emitted strong luminescence at approximately 437nm after dehydration.

International Science & Technology Center (ISTC)

The Development of Basic Plasma-Chemical Technology for Manufacture of Low Cost Crystal Silicon for Solar Power Plants.

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... KDP crystal. ... The KDP crystal has a high nonlinear the degree of matching between the fluid and the window coefficient. ...

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The goal of the present work has been to clarify the influence of sulphate ions on the oxide films formed on stainless steel and Ni-based alloys in simulated crack chemistry conditions using different ex situ analytical techniques. The main observations of this work can be summarised as follows: The thickness of the films formed in simulated oxygen-free crack chemistry conditions during an exposure of circa 4 days varies roughly in the range 200..500 nm, which corresponds to observations reported in the literature [2]. The presence of 10000 ppb sulphate ions in simulated crack tip conditions seems to lead to a considerably lower thickness of the oxide films when compared to sulphate-free conditions. The presence of 10000 ppb sulphate ions leads also to considerable changes in the morphology of the oxide crystals on the material samples. In the absence of sulphate the outer oxide layer contains elongated round-edged crystals, while in the ...

International Nuclear Information System (INIS)

We consider the spin-k/2 XXZ model in the antiferromagnetic regime using the free-field realization of the quantum affine algebra U_q(sl_2) of level k. We give a free-field realization of the type-II q-vertex operator, which describes creation and annihilation of physical particles in the model. By taking a trace of the type-I and type-II q-vertex operators over the irreducible highest-weight representation of U_q(sl_2), we also derive an integral formula for form factors in this model. Investigating the structure of poles, we obtain a residue formula for form factors, which is a lattice analog of the higher-spin extension of Smirnov's formula in the massive integrable quantum field theory. This result as well as the quantum deformation of the Knizhnik-Zamolodchikov equation for form factors shows a deep connection in the mathematical structure of the integrable lattice models and the massive integrable ...

British Library Electronic Table of Contents (United Kingdom)

Abstract We present the first numerical,-N-body, hydrodynamical, chemical simulations of cosmic structure formation in the framework of non-Gaussian models. We study the impact of primordial non-Gaussianities on early chemistry (e-, H, H+, H-, He, He+, He++, H2, H+2, D, D+, HD, HeH+), molecular and atomic gas cooling, star formation, metal (C, O, Si, Fe, Mg, S) enrichment, Population-III (popIII) and Population-II-I (popII) transition and on the evolution of -visible- objects. We find that non-Gaussianities can have some consequences on baryonic structure formation at very early epochs, but the subsequent evolution at later times washes out any difference among the various models. When assuming reasonable values for primordial non-Gaussian perturbations, it turns out that they are responsi...

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Single crystals of RbBaTaS{sub 4} (1) and K{sub 2}BaTa{sub 2}S{sub 11} (2) were obtained from the reactions of Ta, with in situ formed fluxes of A{sub 2}S{sub 3} (A = K, Rb), BaS, and S at 500 C. Compound 1 crystallizes in the orthorhombic space group Pnma with a = 9.3286(5), b = 7.0391(4), c = 12.4365(7) A, V = 816.6(1) A{sup 3}, Z = 4. Compound 2 crystallizes in the monoclinic space group P2{sub 1}/c with a = 14.5280(10), b = 12.6347(7), c = 17.5148(12) A, {beta} = 94.744(8) , V = 3203.9(4) A{sup 3}, Z = 4. The structure of RbBaTaS{sub 4} (1) consists of isolated tetrahedral [TaS{sub 4}]{sup 3-} anions and Rb{sup +} and Ba{sup 2+} cations. The Ba{sup 2+} cations are surrounded by nine sulfur atoms forming distorted tricapped trigonal prisms, whereas the Rb{sup +} cations are in an irregular environment of ten sulfur atoms. The structure of K{sub 2}BaTa{sub 2}S{sub 11} (2) consists ...