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Sample records for solid state tautomerism

  1. Crystal structure and tautomerism of Pigment Yellow 138 determined by X-ray powder diffraction and solid-state NMR

    DEFF Research Database (Denmark)

    Gumbert, Silke D.; Körbitzer, Meike; Alig, Edith

    2016-01-01

    The crystal structure of C.I. Pigment Yellow 138 was determined from X-ray powder diffraction data using real-space methods with subsequent Rietveld refinements. The tautomeric state was investigated by solid-state 1D and 2D multinuclear NMR experiments. In the crystals, the compound exhibits...... the NH-tautomer with a hydrogen atom situated at the nitrogen of the quinoline moiety. Direct evidence of the presence of the NH-tautomer is provided by 1H–14N HMQC solid-state NMR at very fast MAS. Solid-state dispersion-corrected density functional theory calculations with BLYP-D3 confirm...

  2. Tautomerism of pyrazolinones in the solid state: the case of 1-aryl-3-methyl-3-pyrazolin-5-ones. An X-ray and CPMAS NMR study

    Energy Technology Data Exchange (ETDEWEB)

    Foces-Foces, C. [Departamento de Cristalografia. Instituto de Quimica Fisica. Rocasolano. Madrid (Spain); Fontenas, Ch.; Elguero, J. [Instituto de Quimica Medica. Madrid (Spain); Sobrados, I. [Instituto de Ciencia de Materiales. CSIC. Madrid (Spain)

    1997-10-01

    The tautomerism of pyrazolines in solution is one of the best-studied cases of tautomerism. Although there are many X-ray structures of these compounds, no systematic study of their tautomerism in the solid state has been carried out. In this paper we present the results obtained by X-ray crystallography and ``13 C CPMAS NMR on two related compounds, 1-phenyl-and 1-p-bromo phenyl-3-methyl pyrazoline, as well as the result of a search in the CSD. Some general conclusions about the tautomerism of pyrazolines have been drawn. (Author) 22 refs.

  3. Investigating tautomeric polymorphism in crystalline anthranilic acid using terahertz spectroscopy and solid-state density functional theory.

    Science.gov (United States)

    Delaney, Sean P; Witko, Ewelina M; Smith, Tiffany M; Korter, Timothy M

    2012-08-02

    Terahertz spectroscopy is sensitive to the interactions between molecules in the solid-state and recently has emerged as a new analytical tool for investigating polymorphism. Here, this technique is applied for the first time to the phenomenon of tautomeric polymorphism where the crystal structures of anthranilic acid (2-aminobenzoic acid) have been investigated. Three polymorphs of anthranilic acid (denoted Forms I, II and III) were studied using terahertz spectroscopy and the vibrational modes and relative polymorph stabilities analyzed using solid-state density functional theory calculations augmented with London dispersion force corrections. Form I consists of both neutral and zwitterionic molecules and was found to be the most stable polymorph as compared to Forms II and III (both containing only neutral molecules). The simulations suggest that a balance between steric interactions and electrostatic forces is responsible for the favoring of the mixed neutral/zwitterion solid over the all neutral or all zwitterion crystalline arrangements.

  4. Tungsten(VI) Carbyne/Bis(carbene) Tautomerization Enabled by N-Donor SBA15 Surface Ligands: A Solid-State NMR and DFT Study

    KAUST Repository

    Bendjeriou-Sedjerari, Anissa

    2016-08-11

    Designing supported well-defined bis(carbene) complexes remains a key challenge in heterogeneous catalysis. The reaction of W(CtBu)(CH(2)tBu)(3) with amine-modified mesoporous SBA15 silica, which has vicinal silanol/silylamine pairs [(SiOH)(SiNH2)], leads to [(SiNH2-)(SiO-)W(CHtBu)(CH(2)tBu)(2)] and [(SiNH2-)(SiO-)W(=CHtBu)(2)(CH(2)tBu). Variable temperature, H-1-H-1 2D double-quantum, H-1-C-13 HETCOR, and HETCOR with spin diffusion solid-state NMR spectroscopy demonstrate tautomerization between the alkyl alkylidyne and the bis(alkylidene) on the SBA15 surface. Such equilibrium is possible through the coordination of W to the surface [(Si-OH)(Si-NH2)] groups, which act as a [N,O] pincer ligand. DFT calculations provide a rationalization for the surface-complex tautomerization and support the experimental results. This direct observation of such a process shows the strong similarity between molecular mechanisms in homogeneous and heterogeneous catalysis. In propane metathesis (at 150 degrees C), the tungsten bis(carbene) tautomer is favorable, with a turnover number (TON) of 262. It is the highest TON among all the tungsten alkyl-supported catalysts.

  5. Tungsten(VI) Carbyne/Bis(carbene) Tautomerization Enabled by N-Donor SBA15 Surface Ligands: A Solid-State NMR and DFT Study

    KAUST Repository

    Bendjeriou-Sedjerari, Anissa; Sofack-Kreutzer, Julien; Minenkov, Yury; Abou-Hamad, Edy; Hamzaoui, Bilel; Werghi, Baraa; Anjum, Dalaver H.; Cavallo, Luigi; Huang, Kuo-Wei; Basset, Jean-Marie

    2016-01-01

    Designing supported well-defined bis(carbene) complexes remains a key challenge in heterogeneous catalysis. The reaction of W(CtBu)(CH(2)tBu)(3) with amine-modified mesoporous SBA15 silica, which has vicinal silanol/silylamine pairs [(SiOH)(SiNH2)], leads to [(SiNH2-)(SiO-)W(CHtBu)(CH(2)tBu)(2)] and [(SiNH2-)(SiO-)W(=CHtBu)(2)(CH(2)tBu). Variable temperature, H-1-H-1 2D double-quantum, H-1-C-13 HETCOR, and HETCOR with spin diffusion solid-state NMR spectroscopy demonstrate tautomerization between the alkyl alkylidyne and the bis(alkylidene) on the SBA15 surface. Such equilibrium is possible through the coordination of W to the surface [(Si-OH)(Si-NH2)] groups, which act as a [N,O] pincer ligand. DFT calculations provide a rationalization for the surface-complex tautomerization and support the experimental results. This direct observation of such a process shows the strong similarity between molecular mechanisms in homogeneous and heterogeneous catalysis. In propane metathesis (at 150 degrees C), the tungsten bis(carbene) tautomer is favorable, with a turnover number (TON) of 262. It is the highest TON among all the tungsten alkyl-supported catalysts.

  6. Determination of the Tautomeric Equilibria of Pyridoyl Benzoyl -Diketones in the Liquid and Solid State through the use of Deuterium Isotope Effects on 1H and 13C NMR Chemical Shifts and Spin Coupling Constants

    DEFF Research Database (Denmark)

    Hansen, Poul Erik; Borisov, Eugeny V.; Lindon, John C.

    2015-01-01

    The tautomeric equilibria for 2-pyridoyl-, 3-pyridoyl-, and 4-pyridoyl-benzoyl methane have been investigated using deuterium isotope effects on 1H and 13C chemical shifts both in the liquid and the solid state. Equilibria are established both in the liquid and the solid state. In addition......, in the solution state the 2-bond and 3-bond J(1H–13C) coupling constants have been used to confirm the equilibrium positions. The isotope effects due to deuteriation at the OH position are shown to be superior to chemical shift in determination of equilibrium positions of these almost symmetrical -pyridoyl......-benzoyl methanes. The assignments of the NMR spectra are supported by calculations of the chemical shifts at the DFT level. The equilibrium positions are shown to be different in the liquid and the solid state. In the liquid state the 4-pyridoyl derivative is at the B-form (C-1 is OH), whereas the 2-and 3-pyridoyl...

  7. Four Thermochromic o-Hydroxy Schiff Bases of α-Aminodiphenylmethane: Solution and Solid State Study

    Directory of Open Access Journals (Sweden)

    Marija Zbačnik

    2017-01-01

    Full Text Available More than a hundred years after the first studies of the photo- and thermochromism of o-hydroxy Schiff bases (imines, it is still an intriguing topic that fascinates several research groups around the world. The reasons for such behavior are still under investigation, and this work is a part of it. We report the solution-based and mechanochemical synthesis of four o-hydroxy imines derived from α-aminodiphenylmethane. The thermochromic properties were studied for the single crystal and polycrystalline samples of the imines. The supramolecular impact on the keto-enol tautomerism in the solid state was studied using SCXRD and NMR, while NMR spectroscopy was used for the solution state. All four imines are thermochromic, although the color changes of the single crystals are not as strong as of the polycrystalline samples. One of the imines shows negative thermochromism, and that one is in keto-amine tautomeric form, both in the solid state as in solution.

  8. Supramolecular Influence on Keto-Enol Tautomerism and Thermochromic Properties of o-Hydroxy Schiff Bases

    Directory of Open Access Journals (Sweden)

    Marija Zbačnik

    2016-06-01

    Full Text Available This work presents a study on thermo-optical properties of three Schiff bases (imines in the solid state. The Schiff bases were obtained by means of mechanochemical synthesis using monosubstituted o-hydroxy aromatic aldehydes and monosubstituted aromatic amines. The keto-enol tautomerism and proton transfer via intramolecular O∙∙∙N hydrogen bond of the reported compounds was found to be influenced more by supramolecular interactions than by a temperature change. All products were characterised by powder X-ray diffraction (PXRD, FT-IR spectroscopy, thermogravimetric (TG analysis and differential scanning calorimetry (DSC. Molecular and crystal structures of compounds 1, 2 and 3 were determined by single crystal X-ray diffraction (SCXRD. The molecules of 1 appear to be present as the enol-imine, the molecules of 2 as the keto-amine tautomer and the molecules of 3 exhibit keto-enol tautomeric equilibrium in the solid state. An analysis of Cambridge structural database (CSD data on similar imines has been used for structural comparison. This work is licensed under a Creative Commons Attribution 4.0 International License.

  9. Studies of the tautomeric equilibrium of 1,3-thiazolidine-2-thione: Theoretical and experimental approaches

    Energy Technology Data Exchange (ETDEWEB)

    Abbehausen, Camilla; Paiva, Raphael E.F. de [Institute of Chemistry, University of Campinas - UNICAMP, P.O. Box 6154, 13083-970 Campinas, SP (Brazil); Formiga, Andre L.B., E-mail: formiga@iqm.unicamp.br [Institute of Chemistry, University of Campinas - UNICAMP, P.O. Box 6154, 13083-970 Campinas, SP (Brazil); Corbi, Pedro P. [Institute of Chemistry, University of Campinas - UNICAMP, P.O. Box 6154, 13083-970 Campinas, SP (Brazil)

    2012-10-26

    Highlights: Black-Right-Pointing-Pointer Tautomeric equilibrium in solution. Black-Right-Pointing-Pointer Spectroscopic and theoretical studies. Black-Right-Pointing-Pointer UV-Vis theoretical and experimental spectra. Black-Right-Pointing-Pointer {sup 1}H NMR theoretical and experimental spectra. -- Abstract: The tautomeric equilibrium of the thione/thiol forms of 1,3-thiazolidine-2-thione was studied by nuclear magnetic resonance, infrared and ultraviolet-visible spectroscopies. Density functional theory was used to support the experimental data and indicates the predominance of the thione tautomer in the solid state, being in agreement with previously reported crystallographic data. In solution, the tautomeric equilibrium was evaluated using {sup 1}H NMR at different temperatures in four deuterated solvents acetonitrile, dimethylsulfoxide, chloroform and methanol. The equilibrium constants, K = (thiol)/(thione), and free Gibbs energies were obtained by integration of N bonded hydrogen signals at each temperature for each solvent, excluding methanol. The endothermic tautomerization is entropy-driven and the combined effect of solvent and temperature can be used to achieve almost 50% thiol concentrations in solution. The nature of the electronic transitions was investigated theoretically and the assignment of the bands was made using time-dependent DFT as well as the influence of solvent on the energy of the most important bands of the spectra.

  10. Tautomerism methods and theories

    CERN Document Server

    Antonov, Liudmil

    2013-01-01

    Covering the gap between basic textbooks and over-specialized scientific publications, this is the first reference available to describe this interdisciplinary topic for PhD students and scientists starting in the field. The result is an introductory description providing suitable practical examples of the basic methods used to study tautomeric processes, as well as the theories describing the tautomerism and proton transfer phenomena. It also includes different spectroscopic methods for examining tautomerism, such as UV-VIs, time-resolved fluorescence spectroscopy, and NMR spectrosc

  11. Direct NMR Evidence that Transient Tautomeric and Anionic States in dG·dT Form Watson-Crick-like Base Pairs.

    Science.gov (United States)

    Szymanski, Eric S; Kimsey, Isaac J; Al-Hashimi, Hashim M

    2017-03-29

    The replicative and translational machinery utilizes the unique geometry of canonical G·C and A·T/U Watson-Crick base pairs to discriminate against DNA and RNA mismatches in order to ensure high fidelity replication, transcription, and translation. There is growing evidence that spontaneous errors occur when mismatches adopt a Watson-Crick-like geometry through tautomerization and/or ionization of the bases. Studies employing NMR relaxation dispersion recently showed that wobble dG·dT and rG·rU mismatches in DNA and RNA duplexes transiently form tautomeric and anionic species with probabilities (≈0.01-0.40%) that are in concordance with replicative and translational errors. Although computational studies indicate that these exceptionally short-lived and low-abundance species form Watson-Crick-like base pairs, their conformation could not be directly deduced from the experimental data, and alternative pairing geometries could not be ruled out. Here, we report direct NMR evidence that the transient tautomeric and anionic species form hydrogen-bonded Watson-Crick-like base pairs. A guanine-to-inosine substitution, which selectively knocks out a Watson-Crick-type (G)N2H 2 ···O2(T) hydrogen bond, significantly destabilized the transient tautomeric and anionic species, as assessed by lack of any detectable chemical exchange by imino nitrogen rotating frame spin relaxation (R 1ρ ) experiments. An 15 N R 1ρ NMR experiment targeting the amino nitrogen of guanine (dG-N2) provides direct evidence for Watson-Crick (G)N2H 2 ···O2(T) hydrogen bonding in the transient tautomeric state. The strategy presented in this work can be generally applied to examine hydrogen-bonding patterns in nucleic acid transient states including in other tautomeric and anionic species that are postulated to play roles in replication and translational errors.

  12. Theoretical investigation of tautomeric equilibrium in ortho-hydroxy phenyl Schiff bases

    Science.gov (United States)

    Kluba, M.; Lipkowski, P.; Filarowski, A.

    2008-10-01

    This Letter presents a study of the tautomeric equilibrium in ortho-hydroxy phenyl Schiff bases. The influence of substitution and solvent (simulated by the self-consistent reaction field model, SCRF) on the energy barrier of the transition state and on proton transfer is investigated. Dependencies of the HOMA and HOSE aromaticity indices on the molecular, transition state, and proton transfer forms were obtained. The state of chelate chain and phenyl ring aromaticity depending on the tautomeric equilibrium is studied.

  13. Tautomerism and the Protonation/Deprotonation of Isocytosine in Liquid- and Solid-States Studied by NMR Spectroscopy and Theoretical Calculations

    Czech Academy of Sciences Publication Activity Database

    Dračínský, Martin; Jansa, Petr; Ahonen, K.; Buděšínský, Miloš

    -, č. 8 (2011), s. 1544-1551 ISSN 1434-193X R&D Projects: GA AV ČR KJB400550903; GA MŠk 1M0508 Grant - others:AV ČR(CZ) M200380901 Institutional research plan: CEZ:AV0Z40550506 Keywords : NMR spectroscopy * tautomerism * nitrogen heterocycles * density functional calculations Subject RIV: CC - Organic Chemistry Impact factor: 3.329, year: 2011

  14. Synthesis, Acidity Constants and Tautomeric Structure of the Diazonium Coupling Products of 2-(Benzylsulfanyl-7H-purin-6-one in Its Ground and Excited States

    Directory of Open Access Journals (Sweden)

    Hosam A. Saad

    2011-10-01

    Full Text Available A series of new 8-arylhydrazono-2-(benzylsulfanyl-7H-purin-6-ones 6 were synthesized, their electronic absorption spectra in different organic solvents of varying polarities were investigated and their acid dissociation constants in both the ground and excited states were determined spectrophotometrically. The tautomeric structures of such products were elucidated by spectral analyses and correlation of their acid dissociation constants with the Hammett equation. The results indicated that the studied compounds 6 exist predominantly in the hydrazone tautomeric form 6A in both the ground and excited states.

  15. Electronic structure and tautomerism of aryl ketones

    International Nuclear Information System (INIS)

    Novak, Igor; Klasinc, Leo; Šket, Boris; McGlynn, S.P.

    2015-01-01

    Graphical abstract: Photoelectron spectroscopy, tautomerism. - Highlights: • UV photoelectron spectroscopy of aryl ketones. • The relative stability of tautomers and their electronic structures. • The factors influencing tautomerism. - Abstract: The electronic structures of several aryl ketones (AK) and their α-halo derivatives have been studied by UV photoelectron spectroscopy (UPS). The relative stabilities of keto–enol tautomers have been determined using high-level ab initio calculations and the results were used in the analysis of UPS spectra. The main features of electronic structure and tautomerism of the AK derivatives are discussed

  16. Electronic structure and tautomerism of aryl ketones

    Energy Technology Data Exchange (ETDEWEB)

    Novak, Igor, E-mail: inovak@csu.edu.au [Charles Sturt University, POB 883, Orange, NSW 2800 (Australia); Klasinc, Leo, E-mail: klasinc@irb.hr [Physical Chemistry Department, Ruđer Bošković Institute, HR-10002 Zagreb (Croatia); Šket, Boris, E-mail: Boris.Sket@fkkt.uni-lj.si [Faculty of Chemistry and Chemical Technology, University of Ljubljana, SI-1000 (Slovenia); McGlynn, S.P., E-mail: sean.mcglynn@chemgate.chem.lsu.edu [Louisiana State University, Baton Rouge, LA 70803 (United States)

    2015-07-15

    Graphical abstract: Photoelectron spectroscopy, tautomerism. - Highlights: • UV photoelectron spectroscopy of aryl ketones. • The relative stability of tautomers and their electronic structures. • The factors influencing tautomerism. - Abstract: The electronic structures of several aryl ketones (AK) and their α-halo derivatives have been studied by UV photoelectron spectroscopy (UPS). The relative stabilities of keto–enol tautomers have been determined using high-level ab initio calculations and the results were used in the analysis of UPS spectra. The main features of electronic structure and tautomerism of the AK derivatives are discussed.

  17. Tautomeric forms of PPI dendrimers functionalized with 4-(4′-ethoxybenzoyloxy)salicylaldehyde chromophores

    International Nuclear Information System (INIS)

    Franckevičius, M.; Vaišnoras, R.; Marcos, M.; Serrano, J.L.; Gruodis, A.; Galikova, N.; Gulbinas, V.

    2012-01-01

    Highlights: ► SA chromophore groups are formed by bonding terminal groups to PPI dendrimers. ► SA chromophore groups reveal four most stable tautomeric forms. ► Tautomeric properties of SA groups depend on the dendrimer generation and solvent. ► Aggregation of SA chromophores facilitates formation of the trans-keto tautomers. ► Fluorescence of PPI SA dendrimers is attributed to nπ ∗ states of keto tautomers. -- Abstract: Bonding of the promesogenic unit derived from 4-(4′-ethoxybenzoyloxy)salicylaldehyde to the amino terminated PPI dendrimer chains results in formation of the salicylidenimine chromophore groups. Absorption and fluorescence investigations of the dendrimer solutions supported by the quantum chemistry calculations revealed that the chromophore groups may exist in enol and keto tautomeric forms with relative concentrations depending on the dendrimer generation and solvent. The dendrimer fluorescence is attributed to nπ ∗ states of keto tautomers which may also be formed from excited enol tautomers.

  18. Theoretical study of the mechanism of proton transfer in tautomeric ...

    Indian Academy of Sciences (India)

    Semiempirical SCF-MO studies of tautomerism in alloxan preclude the ... However, in aqueous solution, the activation barrier reduces appreciably, not ... which stabilize the transition state to a greater extent due to its higher dipole moment.

  19. DFT study on the isomerization and tautomerism in vitamins B3 (niacin), B5 (pantothenic acid) and B7 (biotin)

    Science.gov (United States)

    Valadbeigi, Younes; Farrokhpour, Hossein; Tabrizchi, Mahmoud

    2014-05-01

    Isomerization and tautomerism of the three water soluble vitamins including B3, B5 and B7 were studied applying density functional theory using B3LYP method in gas and aqueous phases. Activation energies (Ea), Gibbs free energies of activation (ΔG#), and imaginary frequencies of the transition state structures were calculated for all the isomerization and tautomerism reactions. Activation energies of the neutral → zwitterion (amine-enamine) tautomerism in vitamin B3 were 310-360 kJ/mol where these values for the keto-enol tautomerism were 100-130 kJ/mol. It was found that water molecule catalyzes the tautomerism and decreases the activation energies about 90-160 kJ/mol.

  20. Solvent isotope effects on tautomerization equilibria of papain and model thiolamines

    International Nuclear Information System (INIS)

    Creighton, D.J.; Schamp, D.J.

    1980-01-01

    The state of ionization of the active site sulfhydryl group of papain at the pH-optimum of activity (pH approximately 6.5) remains a controversial issue. An alternative approach to the problem is reported here which utilizes the difference between the isotopic fractionation factor of the S-H bond (phi approximately equal to 0.4) and the N-H bond (phi = 0.97). In principle, the tautomerization equilibrium should be subject to an inverse solvent deuterium isotope effect in which the non-ionised form is more stable relative to the ionised form in D 2 O compared to H 2 O (K(H 2 O)/K(D 2 O) = phisub(SH)/phisub(MH) approximately equal to 0.4). This priniciple has been successfully tested on the tautomerization equilibria of cysteine and β-mercaptoethylamine from spectrophotometric titrations. To the extent that these simple thiolamines model the spectral properties of the tautomeric species envisioned in the active site of papain, the tautomerization equilibrium constant for papain is estimated (K(H 2 O) approximately equal to 2) from a comparison of the effect of solvent D 2 O on the mercaptide ion spectra of the thiolamines and the mercaptide ion-like difference absorption spectrum of papain. (Auth.)

  1. Direct and solvent-assisted thione–thiol tautomerism in 5-(thiophen-2-yl)-1,3,4-oxadiazole-2(3H)-thione: Experimental and molecular modeling study

    Energy Technology Data Exchange (ETDEWEB)

    Burcu Arslan, N. [Department of Computer Education and Instructional Technology, Faculty of Education, Giresun University, 28100 Giresun (Turkey); Özdemir, Namık, E-mail: namiko@omu.edu.tr [Department of Physics, Faculty of Arts and Sciences, Ondokuz Mayıs University, 55139 Samsun (Turkey); Dayan, Osman, E-mail: osmandayan@comu.edu.tr [Laboratory of Inorganic Synthesis and Molecular Catalysis, Çanakkale Onsekiz Mart University, 17020 Çanakkale (Turkey); Dege, Necmi [Department of Physics, Faculty of Arts and Sciences, Ondokuz Mayıs University, 55139 Samsun (Turkey); Koparır, Metin [Department of Chemistry, Faculty of Science, Fırat University, 23169 Elazığ (Turkey); Koparır, Pelin [Department of Chemistry, Forensic Medicine Institute, 44000 Malatya (Turkey); Muğlu, Halit [Department of Chemistry, Faculty of Arts and Sciences, Kastamonu University, 37200 Kastamonu (Turkey)

    2014-08-17

    Graphical abstract: - Highlights: • The molecule exists in the thione form in the solid state. • FT-IR and NMR data support the thione form. • The anti-thione conformer has the lowest energy. • The barrier height increases with increasing polarity of the solvent. • Multiple methanol or water-assisted thione–thiol tautomerism may happen. - Abstract: The compound has been synthesized and characterized by IR, NMR and X-ray diffraction. Quantum chemical calculations at B3LYP/6−311++G(d,p) level were performed to study the molecular and spectroscopic properties, conformational equilibrium, thione ↔ thiol tautomerism and intermolecular double proton transfer reaction of the compound. The obtained structural and spectroscopic results are well in agreement with the experimental data. The solvent effect on the proton transfer reaction was investigated in three solvents using the polarizable continuum model approximation and solvent-assisted mechanism. The anti-thione tautomer is the most stable isomer among the four possible structural forms both in the gas phase and in solution phase. A high tautomeric energy barrier is found for the tautomerism between the anti and syn forms of the compound, indicating a quite disfavored process. Although the presence of one methanol or water solvent molecule significantly lowers the energy barrier, it is not adequate for the reaction to occur.

  2. Annular tautomerism: experimental observations and quantum mechanics calculations

    Science.gov (United States)

    Cruz-Cabeza, Aurora J.; Schreyer, Adrian; Pitt, William R.

    2010-06-01

    The use of MP2 level quantum mechanical (QM) calculations on isolated heteroaromatic ring systems for the prediction of the tautomeric propensities of whole molecules in a crystalline environment was examined. A Polarisable Continuum Model was used in the calculations to account for environment effects on the tautomeric relative stabilities. The calculated relative energies of tautomers were compared to relative abundances within the Cambridge Structural Database (CSD) and the Protein Data Bank (PDB). The work was focussed on 84 annular tautomeric forms of 34 common ring systems. Good agreement was found between the calculations and the experimental data even if the quantity of these data was limited in many cases. The QM results were compared to those produced by much faster semiempirical calculations. In a search for other sources of the useful experimental data, the relative numbers of known compounds in which prototropic positions were often substituted by heavy atoms were also analysed. A scheme which groups all annular tautomeric transformations into 10 classes was developed. The scheme was designed to encompass a comprehensive set of known and theoretically possible tautomeric ring systems generated as part of a previous study. General trends across analogous ring systems were detected as a result. The calculations and statistics collected on crystallographic data as well as the general trends observed should be useful for the better modelling of annular tautomerism in the applications such as computer-aided drug design, small molecule crystal structure prediction, the naming of compounds and the interpretation of protein—small molecule crystal structures.

  3. Rationalization of the Color Properties of Fluorescein in the Solid State: A Combined Computational and Experimental Study.

    Science.gov (United States)

    Arhangelskis, Mihails; Eddleston, Mark D; Reid, David G; Day, Graeme M; Bučar, Dejan-Krešimir; Morris, Andrew J; Jones, William

    2016-07-11

    Fluorescein is known to exist in three tautomeric forms defined as quinoid, zwitterionic, and lactoid. In the solid state, the quinoid and zwitterionic forms give rise to red and yellow materials, respectively. The lactoid form has not been crystallized pure, although its cocrystal and solvate forms exhibit colors ranging from yellow to green. An explanation for the observed colors of the crystals is found using a combination of UV/Vis spectroscopy and plane-wave DFT calculations. The role of cocrystal coformers in modifying crystal color is also established. Several new crystal structures are determined using a combination of X-ray and electron diffraction, solid-state NMR spectroscopy, and crystal structure prediction (CSP). The protocol presented herein may be used to predict color properties of materials prior to their synthesis. © 2016 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA.

  4. Distinguishing tautomerism in the crystal structure of (Z)-N-(5-ethyl-2,3-di-hydro-1,3,4-thiadiazol-2-ylidene) -4-methylbenzenesulfonamide using DFT-D calculations and {sup 13}C solid-state NMR

    Energy Technology Data Exchange (ETDEWEB)

    Li, Xiaozhou; Bond, Andrew D.; Johansson, Kristoffer E.; Van de Streek, Jacco, E-mail: jacco.vandestreek@sund.ku.dk [Department of Pharmacy, University of Copenhagen, Universitetsparken 2, Copenhagen DK-2100 (Denmark)

    2014-08-01

    The crystal structure of (Z)-N-(5-ethyl-2,3-di-hydro-1,3,4-thiadiazol-2-ylidene) -4-methylbenzenesulfonamide contains an imine tautomer, rather than the previously reported amine tautomer. The tautomers can be distinguished using dispersion-corrected density functional theory calculations and by comparison of calculated and measured {sup 13}C solid-state NMR spectra. The crystal structure of the title compound, C{sub 11}H{sub 13}N{sub 3}O{sub 2}S{sub 2}, has been determined previously on the basis of refinement against laboratory powder X-ray diffraction (PXRD) data, supported by comparison of measured and calculated {sup 13}C solid-state NMR spectra [Hangan et al. (2010 ▶). Acta Cryst. B66, 615–621]. The mol@@ecule is tautomeric, and was reported as an amine tautomer [systematic name: N-(5-ethyl-1,3,4-thia@@diazol-2-yl)-p-toluene@@sulfonamide], rather than the correct imine tautomer. The protonation site on the mol@@ecule’s 1,3,4-thia@@diazole ring is indicated by the inter@@molecular contacts in the crystal structure: N—H⋯O hydrogen bonds are established at the correct site, while the alternative protonation site does not establish any notable inter molecular inter@@actions. The two tautomers provide essentially identical Rietveld fits to laboratory PXRD data, and therefore they cannot be directly distinguished in this way. However, the correct tautomer can be distinguished from the incorrect one by previously reported qu@@anti@@tative criteria based on the extent of structural distortion on optimization of the crystal structure using dispersion-corrected density functional theory (DFT-D) calculations. Calculation of the {sup 13}C SS-NMR spectrum based on the correct imine tautomer also provides considerably better agreement with the measured {sup 13}C SS-NMR spectrum.

  5. Dynamic basis for dG•dT misincorporation via tautomerization and ionization

    Science.gov (United States)

    Kimsey, Isaac J.; Szymanski, Eric S.; Zahurancik, Walter J.; Shakya, Anisha; Xue, Yi; Chu, Chia-Chieh; Sathyamoorthy, Bharathwaj; Suo, Zucai; Al-Hashimi, Hashim M.

    2018-02-01

    Tautomeric and anionic Watson-Crick-like mismatches have important roles in replication and translation errors through mechanisms that are not fully understood. Here, using NMR relaxation dispersion, we resolve a sequence-dependent kinetic network connecting G•T/U wobbles with three distinct Watson-Crick mismatches: two rapidly exchanging tautomeric species (Genol•T/UG•Tenol/Uenol population less than 0.4%) and one anionic species (G•T-/U- population around 0.001% at neutral pH). The sequence-dependent tautomerization or ionization step was inserted into a minimal kinetic mechanism for correct incorporation during replication after the initial binding of the nucleotide, leading to accurate predictions of the probability of dG•dT misincorporation across different polymerases and pH conditions and for a chemically modified nucleotide, and providing mechanisms for sequence-dependent misincorporation. Our results indicate that the energetic penalty for tautomerization and/or ionization accounts for an approximately 10-2 to 10-3-fold discrimination against misincorporation, which proceeds primarily via tautomeric dGenol•dT and dG•dTenol, with contributions from anionic dG•dT- dominant at pH 8.4 and above or for some mutagenic nucleotides.

  6. Ab initio study of gas phase and water-assisted tautomerization of ...

    Indian Academy of Sciences (India)

    WINTEC

    Water-assisted tautomerization in maleimide and formamide showed that difference in energy barrier reduces to 2⋅83 kcal/mol from 10⋅41 kcal/mol (in gas phase) at B3LYP level, which resulted that maleimide readily undergoes tautomerization in water molecule. Keywords. Ab Initio calculations; maleimide; formamide; ...

  7. Electronic structure and tautomerism of thioamides

    Energy Technology Data Exchange (ETDEWEB)

    Novak, Igor, E-mail: inovak@csu.edu.au [Charles Sturt University, POB 883, Orange, NSW 2800 (Australia); Klasinc, Leo, E-mail: klasinc@irb.hr [Physical Chemistry Department, Ruđer Bošković Institute, HR-10002 Zagreb (Croatia); McGlynn, Sean P., E-mail: sean.mcglynn@chemgate.chem.lsu.edu [Louisiana State University, Baton Rouge, LA 70803 (United States)

    2016-05-15

    Highlights: • Electronic structure of thioamide group and its relation to Lewis basicity. • Tautomerism of the (thio)amide groups. • Substituent effects on the electronic structure of (thio)amide group. - Abstract: The electronic structures of several thioamides have been studied by UV photoelectron spectroscopy (UPS). The relative stabilities of keto–enol tautomers have been determined using high-level ab initio calculations and the results were used in the analysis of UPS spectra. The main features of electronic structure and tautomerism of thioamide derivatives are discussed. The predominant tautomers in the gas phase are of keto–(thio)keto form. The addition of cyclohexanone moiety to the thioamide group enhances the Lewis base character of the sulfur atom. The addition of phenyl group to the (thio)amide group significantly affects its electronic structure.

  8. The Crystal Structures of Potentially Tautomeric Compounds

    Science.gov (United States)

    Furmanova, Nina G.

    1981-08-01

    Data on the structures of potentially proto-, metallo-, and carbono-tropic compounds, obtained mainly by X-ray diffraction, are surveyed. The results of neutron and electron diffraction studies have also been partly used. It is shown that a characteristic feature of all the systems considered is the formation of hydrogen or secondary bonds ensuring the contribution of both possible tautomeric forms to the structure. Systematic consideration of the experimental data leads to the conclusion that there is a close relation between the crystal structure and the dynamic behaviour of the molecules in solution and that secondary and hydrogen bonds play a significant role in the tautomeric transition. The bibliography includes 152 references.

  9. Non-typical fluorescence studies of excited and ground state proton and hydrogen transfer

    KAUST Repository

    Gil, Michał; Kijak, Michał; Piwonski, Hubert Marek; Herbich, Jerzy; Waluk, Jacek

    2017-01-01

    Fluorescence studies of tautomerization have been carried out for various systems that exhibit single and double proton or hydrogen translocation in various environments, such as liquid and solid condensed phases, ultracold supersonic jets, and finally, polymer matrices with single emitters.We focus on less explored areas of application of fluorescence for tautomerization studies, using porphycene, a porphyrin isomer, as an example. Fluorescence anisotropy techniques allow investigations of self-exchange reactions, where the reactant and product are formally identical. Excitation with polarized light makes it possible to monitor tautomerization in single molecules and to detect their three-dimensional orientation. Analysis of fluorescence from single vibronic levels of jet-isolated porphycene not only demonstrates coherent tunneling of two internal protons, but also indicates that the process is vibrational mode-specific. Next, we present bifunctional proton donoracceptor systems, molecules that are able, depending on the environment, to undergo excited state single intramolecular or double intermolecular proton transfer. For molecules that have donor and acceptor groups located in separate moieties linked by a single bond, excited state tautomerization can be coupled to mutual twisting of the two subunits.

  10. Non-typical fluorescence studies of excited and ground state proton and hydrogen transfer

    KAUST Repository

    Gil, Michał

    2017-02-03

    Fluorescence studies of tautomerization have been carried out for various systems that exhibit single and double proton or hydrogen translocation in various environments, such as liquid and solid condensed phases, ultracold supersonic jets, and finally, polymer matrices with single emitters.We focus on less explored areas of application of fluorescence for tautomerization studies, using porphycene, a porphyrin isomer, as an example. Fluorescence anisotropy techniques allow investigations of self-exchange reactions, where the reactant and product are formally identical. Excitation with polarized light makes it possible to monitor tautomerization in single molecules and to detect their three-dimensional orientation. Analysis of fluorescence from single vibronic levels of jet-isolated porphycene not only demonstrates coherent tunneling of two internal protons, but also indicates that the process is vibrational mode-specific. Next, we present bifunctional proton donoracceptor systems, molecules that are able, depending on the environment, to undergo excited state single intramolecular or double intermolecular proton transfer. For molecules that have donor and acceptor groups located in separate moieties linked by a single bond, excited state tautomerization can be coupled to mutual twisting of the two subunits.

  11. Isotope effects on chemical shifts in tautomeric systems with double proton transfer. Citronin

    International Nuclear Information System (INIS)

    Hansen, P.E.; Langgard, M.; Bolvig, S.

    1998-01-01

    Primary and secondary deuterium isotope effects on 1 H and 13 C chemical shifts are measured in citrinin, a tautomeric compound with an unusual doubly intramolecularly hydrogen bonded structure. The isotope effects are to a large extent dominated by equilibrium contributions and deuteration leads to more of the deuterated enol forms rather than the deuterated acid form. 1 H 13 C and 17 O nuclear shieldings are calculated using density functional ab initio methods. A very good correlation between calculated nuclear shieldings and experimental 1 H and 13 C chemical shifts is obtained. The tautomeric equilibrium can be analyzed based on the isotope effects on B-6 and C-8 carbons and shows an increase in the o-quinone form on lowering the temperature. Furthermore, upon deuteration the largest equilibrium shift is found for deuteration at OH-8 and the shift in the tautomeric equilibrium upon deuteration at OH-8 and the shift in the tautomeric equilibrium upon deuteration is increasing at lower temperature. (author)

  12. Synthesis, Acidity Constants and Tautomeric Structure of the Diazonium Coupling Products of 2-(Benzylsulfanyl)-7H-purin-6-one in Its Ground and Excited States

    OpenAIRE

    Darwish, Elham S.; Mosselhi, Mosselhi A.; Altalbawy, Farag M.; Saad, Hosam A.

    2011-01-01

    A series of new 8-arylhydrazono-2-(benzylsulfanyl)-7H-purin-6-ones 6 were synthesized, their electronic absorption spectra in different organic solvents of varying polarities were investigated and their acid dissociation constants in both the ground and excited states were determined spectrophotometrically. The tautomeric structures of such products were elucidated by spectral analyses and correlation of their acid dissociation constants with the Hammett equation. The results indicated that t...

  13. Tautomerism of N-(3,4-dichlorophenyl)-1H-indazole-5-carboxamide - A new selective, highly potent and reversible MAO-B inhibitor

    Science.gov (United States)

    Tzvetkov, Nikolay T.; Stammler, Hans-Georg; Antonov, Liudmil

    2017-12-01

    The tautomeric properties of an N-(3,4-dichlorophenyl)-1H-indazole-5-carboxamide (NTZ-1006, 2) derivative, developed as highly potent, reversible and selective MAO-B inhibitor useful for the treatment of Parkinson's disease (PD) and other neurological disorders, have been studied both experimentally and theoretically. The theoretical data (M06-2X, B3LYP and MP2-4 quantum chemical calculations) have shown that due to aromaticity reasons the 1H tautomer strongly dominates over the 2H form. There are no substantial spectral changes by changing the solvent and the concentration, which leads to a conclusion that compound 2 exists in solution as 1H tautomer and its tautomerism is not influenced by the solvents and the concentration. The results are in line with the understanding for the tautomerism of 1H-indazole and shows that substitution at the C5 position in the indazole unit does not influence the tautomeric state. The isolated crystal structure of 2 is in an excellent agreement with the computation in respect of the most stable tautomer. Combined single X-ray/molecular modeling studies including HYdrogen-DEsolvation (HYDE) analysis provided not only insights into the enzyme-inhibitor interaction within the binding site of the human MAO-B isoform, but also a valuable information regarding the most stable 1H-indazole tautomeric form of NTZ-1006 that contributes to its high potency against hMAO-B enzyme (IC50 0.586 nm) and selectivity (>17000-fold) over the hMAO-A isoenzyme.

  14. Intermediate-Valence Tautomerism in Decamethylytterbocene Complexes of Methyl-Substituted Bipyridines

    Energy Technology Data Exchange (ETDEWEB)

    Booth, Corwin H.; Kazhdan, Daniel; Werkema, Evan L.; Walter, Marc D.; Lukens, Wayne W.; Bauer, Eric D.; Hu, Yung-Jin; Maron, Laurent; Eisenstein, Odile; Head-Gordon, Martin; Andersen, Richard A.

    2011-01-25

    Multiconfigurational, intermediate valent ground states are established in several methyl-substituted bipyridine complexes of bispentamethylcyclopentadienylytterbium, Cp*{sub 2} Yb(Me{sub x}-bipy). In contrast to Cp*{sub 2} Yb(bipy) and other substituted-bipy complexes, the nature of both the ground state and the first excited state are altered by changing the position of the methyl or dimethyl substitutions on the bipyridine rings. In particular, certain substitutions result in multiconfigurational, intermediate valent open-shell singlet states in both the ground state and the first excited state. These conclusions are reached after consideration of single-crystal x-ray diffraction (XRD), the temperature dependence of x-ray absorption near-edge structure (XANES), extended x-ray absorption fine-structure (EXAFS), and magnetic susceptibility data, and are supported by CASSCF-MP2 calculations. These results place the various Cp*{sub 2}Yb(bipy) complexes in a new tautomeric class, that is, intermediate-valence tautomers.

  15. Solid state physics

    CERN Document Server

    Burns, Gerald

    2013-01-01

    Solid State Physics, International Edition covers the fundamentals and the advanced concepts of solid state physics. The book is comprised of 18 chapters that tackle a specific aspect of solid state physics. Chapters 1 to 3 discuss the symmetry aspects of crystalline solids, while Chapter 4 covers the application of X-rays in solid state science. Chapter 5 deals with the anisotropic character of crystals. Chapters 6 to 8 talk about the five common types of bonding in solids, while Chapters 9 and 10 cover the free electron theory and band theory. Chapters 11 and 12 discuss the effects of moveme

  16. Quantum tunneling in real space: Tautomerization of single porphycene molecules on the (111) surface of Cu, Ag, and Au

    Science.gov (United States)

    Kumagai, Takashi; Ladenthin, Janina N.; Litman, Yair; Rossi, Mariana; Grill, Leonhard; Gawinkowski, Sylwester; Waluk, Jacek; Persson, Mats

    2018-03-01

    Tautomerization in single porphycene molecules is investigated on Cu(111), Ag(111), and Au(111) surfaces by a combination of low-temperature scanning tunneling microscopy (STM) experiments and density functional theory (DFT) calculations. It is revealed that the trans configuration is the thermodynamically stable form of porphycene on Cu(111) and Ag(111), whereas the cis configuration occurs as a meta-stable form. The trans → cis or cis → trans conversion on Cu(111) can be induced in an unidirectional fashion by injecting tunneling electrons from the STM tip or heating the surface, respectively. We find that the cis ↔ cis tautomerization on Cu(111) occurs spontaneously via tunneling, verified by the negligible temperature dependence of the tautomerization rate below ˜23 K. Van der Waals corrected DFT calculations are used to characterize the adsorption structures of porphycene and to map the potential energy surface of the tautomerization on Cu(111). The calculated barriers are too high to be thermally overcome at cryogenic temperatures used in the experiment and zero-point energy corrections do not change this picture, leaving tunneling as the most likely mechanism. On Ag(111), the reversible trans ↔ cis conversion occurs spontaneously at 5 K and the cis ↔ cis tautomerization rate is much higher than on Cu(111), indicating a significantly smaller tautomerization barrier on Ag(111) due to the weaker interaction between porphycene and the surface compared to Cu(111). Additionally, the STM experiments and DFT calculations reveal that tautomerization on Cu(111) and Ag(111) occurs with migration of porphycene along the surface; thus, the translational motion couples with the tautomerization coordinate. On the other hand, the trans and cis configurations are not discernible in the STM image and no tautomerization is observed for porphycene on Au(111). The weak interaction of porphycene with Au(111) is closest to the gas-phase limit and therefore the absence

  17. The possible tautomerism of the potential rotary switch 2-(2-(2-Hydroxy-4-nitrophenyl)hydrazono)-1-phenylbutane-1,3-dione

    DEFF Research Database (Denmark)

    Hristova, Silvia; Kamounah, Fadhil S.; Molla, Nevse

    2017-01-01

    The title compound is potentially tautomeric and its tautomerism was studied by means of molecular spectroscopy (1H and 13C NMR and UV–Vis) in DMSO as well as by quantum chemical calculations (M06-2X/TZVP). The detailed assignment of the NMR signals supported by the theoretical calculations clearly...... shows that the previous interpretation, available in the literature, about the coexistence of two tautomeric forms is not correct. The compound exists as major and minor isomer of a single tautomeric form. In addition, a 2-methoxy derivative (the OH group replaced by a methoxy group) is also...

  18. Computational study on a puzzle in the biosynthetic pathway of anthocyanin: Why is an enzymatic oxidation/ reduction process required for a simple tautomerization?

    Science.gov (United States)

    Sato, Hajime; Wang, Chao; Yamazaki, Mami; Saito, Kazuki; Uchiyama, Masanobu

    2018-01-01

    In the late stage of anthocyanin biosynthesis, dihydroflavonol reductase (DFR) and anthocyanidin synthase (ANS) mediate a formal tautomerization. However, such oxidation/reduction process requires high energy and appears to be unnecessary, as the oxidation state does not change during the transformation. Thus, a non-enzymatic pathway of tautomerization has also been proposed. To resolve the long-standing issue of whether this non-enzymatic pathway is the main contributor for the biosynthesis, we carried out density functional theory (DFT) calculations to examine this non-enzymatic pathway from dihydroflavonol to anthocyanidin. We show here that the activation barriers for the proposed non-enzymatic tautomerization are too high to enable the reaction to proceed under normal aqueous conditions in plants. The calculations also explain the experimentally observed requirement for acidic conditions during the final step of conversion of 2-flaven-3,4-diol to anthocyanidin; a thermodynamically and kinetically favorable concerted pathway can operate under these conditions.

  19. Role of Pseudoisocytidine Tautomerization in Triplex-Forming Oligonucleotides

    DEFF Research Database (Denmark)

    Hartono, Yossa Dwi; Pabon-Martinez, Y. Vladimir; Uyar, Arzu

    2017-01-01

    Pseudoisocytidine (1C) is a synthetic cytidine analogue that can target DNA duplex to form parallel triplex at neutral pH. Pseudoisocytidine has mainly two tautomers, of which only one is favorable for triplex formation. In this study, we investigated the effect of sequence on ψC tautomerization ...

  20. A temperature induced ferrocene–ferrocenium interconversion in a ferrocene functionalized μ{sub 3}-O chromium carboxylate

    Energy Technology Data Exchange (ETDEWEB)

    Mereacre, Valeriu, E-mail: valeriu.mereacre@kit.edu [Institut für Anorganische Chemie, Karlsruher Institut für Technologie, D-76131 Karlsruhe (Germany); Schlageter, Martin [Institut für Nanotechnologie, Karlsruher Institut für Technologie, D-76344 Eggenstein-Leopoldshafen (Germany); Powell, Annie K., E-mail: annie.powell@kit.edu [Institut für Anorganische Chemie, Karlsruher Institut für Technologie, D-76131 Karlsruhe (Germany); Institut für Nanotechnologie, Karlsruher Institut für Technologie, D-76344 Eggenstein-Leopoldshafen (Germany)

    2015-05-01

    The infrared spectra and {sup 57}Fe Mössbauer measurements of a ferrocenecarboxylate functionalized {Cr_3O} complex in solid state are reported. It was established that conjugation of ferrocene Cp orbitals with the π orbitals of the adjacent carboxylic group stabilizes the trapped mixed-valence state leading to an intriguing coexistence of ferrocene and ferrocenium species giving rise to a new type of compound showing valence tautomerism in the solid state. - Highlights: • A stabilized ferrocene trapped mixed-valence state is reported. • New type of compound showing valence tautomerism in solid state. • A thermally induced electron transfer and a mixed-valence state near room temperature.

  1. A temperature induced ferrocene–ferrocenium interconversion in a ferrocene functionalized μ3-O chromium carboxylate

    International Nuclear Information System (INIS)

    Mereacre, Valeriu; Schlageter, Martin; Powell, Annie K.

    2015-01-01

    The infrared spectra and 57 Fe Mössbauer measurements of a ferrocenecarboxylate functionalized {Cr 3 O} complex in solid state are reported. It was established that conjugation of ferrocene Cp orbitals with the π orbitals of the adjacent carboxylic group stabilizes the trapped mixed-valence state leading to an intriguing coexistence of ferrocene and ferrocenium species giving rise to a new type of compound showing valence tautomerism in the solid state. - Highlights: • A stabilized ferrocene trapped mixed-valence state is reported. • New type of compound showing valence tautomerism in solid state. • A thermally induced electron transfer and a mixed-valence state near room temperature

  2. Intramolecular hydrogen bonding and tautomerism in Schiff bases ...

    Indian Academy of Sciences (India)

    Administrator

    C NMR, DEPT and aided by 2D HETCOR and HMBC heteronuclear correlation techniques. The UV-vis spectra of the Schiff bases have been systematically studied in organic solvents of different polarity, acidic and basic media and found useful in understanding of tautomeric equilibria (phenol-imine, O–H...N and ...

  3. Solid State Division

    International Nuclear Information System (INIS)

    Green, P.H.; Watson, D.M.

    1989-08-01

    This report contains brief discussions on work done in the Solid State Division of Oak Ridge National Laboratory. The topics covered are: Theoretical Solid State Physics; Neutron scattering; Physical properties of materials; The synthesis and characterization of materials; Ion beam and laser processing; and Structure of solids and surfaces

  4. Solid State Division

    Energy Technology Data Exchange (ETDEWEB)

    Green, P.H.; Watson, D.M. (eds.)

    1989-08-01

    This report contains brief discussions on work done in the Solid State Division of Oak Ridge National Laboratory. The topics covered are: Theoretical Solid State Physics; Neutron scattering; Physical properties of materials; The synthesis and characterization of materials; Ion beam and laser processing; and Structure of solids and surfaces. (LSP)

  5. Tautomerism and biological activity of beta-diketoner, triketoner, beta-ketoesters and beta-ketoamides. A mini review

    DEFF Research Database (Denmark)

    Hansen, Poul Erik

    2017-01-01

    The review deals with β-diketones, β-ketoester, β-ketoamides, triketones, their tautomerism and biological activity. In addition, it covers briefly methods to detect tautomerism in particular NMR and deuterium isotope effects on chemical shifts, both primary and secondary. A number of typical sys...... systems are treated such as: usnic acid, tetracyclines, piroxicam, curcurmines, humulones, acyltetramic acids and quinolone 3-esters....

  6. The Influence of Substituents on the Tautomerism of Symmetrically Substituted 2,2'-Bis-benzimidazoles

    Directory of Open Access Journals (Sweden)

    Dall'Oglio Evandro

    2002-01-01

    Full Text Available The tautomerism of five symmetrically substituted 2,2'-bis-benzimidazoles [5(6,5'(6'-tetramethyl- (1; 5(6,5'(6'-dimethyl-(2; 5(6,5'(6'-dichloro- (3; 5(6,5'(6'-dimethoxy- (4 and 4(7,4'(7'-dimethyl-2,2'-bis-benzimidazole (5], was studied by means of ¹H NMR spectroscopy at variable temperatures, and the influence of the substituents on the energy barriers for tautomeric interconversion was interpreted with the aid of theoretical calculations.

  7. Tautomeric transition between wobble A·C DNA base mispair and Watson-Crick-like A·C* mismatch: microstructural mechanism and biological significance.

    Science.gov (United States)

    Brovarets', Ol'ha O; Hovorun, Dmytro M

    2015-06-21

    Here, we use MP2/DFT quantum-chemical methods combined with Quantum Theory of Atoms in Molecules to study the tautomeric transition between wobble A·C(w) mismatch and Watson-Crick-like A·C*(WC) base mispair, proceeding non-dissociatively via sequential proton transfer between bases through the planar, highly stable and zwitterionic TS(A∙C-)(A∙C(W)A∙C&(WC)) transition state joined by the participation of (A)N6(+)H∙∙∙N4(-)(C), (A)N1(+)H∙∙∙N4(-)(C) and (A)C2(+)H∙∙∙N3(-)(C) H-bonds. Notably, the A·C(w) ↔ A·C*(WC) tautomerization reaction is accompanied by 10 unique patterns of the specific intermolecular interactions that consistently replace each other. Our data suggest that biologically significant A·C(w) → A·C*(WC) tautomerization is a kinetically controlled pathway for formation of the enzymatically competent Watson-Crick-like A·C*(WC) DNA base mispair in the essentially hydrophobic recognition pocket of the high-fidelity DNA-polymerase, responsible for the occurrence of spontaneous point AC/CA incorporation errors during DNA biosynthesis.

  8. Theoretical solid state physics

    CERN Document Server

    Haug, Albert

    2013-01-01

    Theoretical Solid State Physics, Volume 1 focuses on the study of solid state physics. The volume first takes a look at the basic concepts and structures of solid state physics, including potential energies of solids, concept and classification of solids, and crystal structure. The book then explains single-electron approximation wherein the methods for calculating energy bands; electron in the field of crystal atoms; laws of motion of the electrons in solids; and electron statistics are discussed. The text describes general forms of solutions and relationships, including collective electron i

  9. Tautomerism of 4-hydrazinoquinazolines: vibrational spectra and computational study

    Directory of Open Access Journals (Sweden)

    Tetiana Yu. Sergeieva

    2014-03-01

    Full Text Available The tautomerism of 4-hydrazinoquinazoline and its derivatives was investigated. Geometry and thermodynamic parameters were computed theoretically using Gaussian 03 software. All calculations were performed at the MP2 level of theory using the standard 6-31G(d basis. Energetics and relative stabilities of tautomers were compared and analyzed in a gas phase. The effect of solvents (1,4-dioxane, acetic acid, ethanol and water on the tautomeric equlibria was evaluated using PCM. It was determined that solvents induced slight changes in the relative stability. In all cases 4-hydrazinoquinazoline exists predominantly as the amino form. The variation of dipole moments was studied. The anharmonic vibrational wavenumbers for unsubstituted 4-hydrazinoquinazoline were calculated at MP2/6-31G(d level and compared with experimental data. The modes of IR spectra were assigned. The calculated herein wavenumbers and intensities of amino form are in good agreement with those observed experimentally.      

  10. Solid state radiation dosimetry

    International Nuclear Information System (INIS)

    Moran, P.R.

    1976-01-01

    Important recent developments provide accurate, sensitive, and reliable radiation measurements by using solid state radiation dosimetry methods. A review of the basic phenomena, devices, practical limitations, and categories of solid state methods is presented. The primary focus is upon the general physics underlying radiation measurements with solid state devices

  11. Can tautomerization of the A·T Watson-Crick base pair via double proton transfer provoke point mutations during DNA replication? A comprehensive QM and QTAIM analysis.

    Science.gov (United States)

    Brovarets, Ol'ha O; Hovorun, Dmytro M

    2014-01-01

    Trying to answer the question posed in the title, we have carried out a detailed theoretical investigation of the biologically important mechanism of the tautomerization of the A·T Watson-Crick DNA base pair, information that is hard to establish experimentally. By combining theoretical investigations at the MP2 and density functional theory levels of QM theory with quantum theory of atoms in molecules analysis, the tautomerization of the A·T Watson-Crick base pair by the double proton transfer (DPT) was comprehensively studied in vacuo and in the continuum with a low dielectric constant (ϵ = 4) corresponding to a hydrophobic interfaces of protein-nucleic acid interactions. Based on the sweeps of the electron-topological, geometric, and energetic parameters, which describe the course of the tautomerization along its intrinsic reaction coordinate (IRC), it was proved that the A·T → A(∗)·T(∗) tautomerization through the DPT is a concerted (i.e. the pathway without an intermediate) and asynchronous (i.e. protons move with a time gap) process. The limiting stage of this phenomenon is the final PT along the N6H⋯O4 hydrogen bond (H-bond). The continuum with ϵ = 4 does not affect qualitatively the course of the tautomerization reaction: similar to that observed in vacuo, it proceeds via a concerted asynchronous process with the same structure of the transition state (TS). For the first time, the nine key points along the IRC of the A·T base pair tautomerization, which could be considered as electron-topological "fingerprints" of a concerted asynchronous process of the tautomerization via the DPT, have been identified and fully characterized. These nine key points have been used to define the reactant, TS, and product regions of the DPT in the A·T base pair. Considering the energy dependence of each of the three H-bonds, which stabilize the Watson-Crick and Löwdin's base pairs, along the IRC of the tautomerization, it was found that all these H

  12. Luminescence and the solid state

    CERN Document Server

    Ropp, Richard C

    2013-01-01

    Since the discovery of the transistor in 1948, the study of the solid state has been burgeoning. Recently, cold fusion and the ceramic superconductor have given cause for excitement. There are two approaches possible to this area of science, namely, that of solid state physics and solid state chemistry, although both overlap extensively. The former is more concerned with electronic states in solids (including electromagnetics) whereas the latter is more concerned with interactions of atoms in solids. The area of solid state physics is well documented, however, there are very few texts which de

  13. Solid state video cameras

    CERN Document Server

    Cristol, Y

    2013-01-01

    Solid State Video Cameras reviews the state of the art in the field of solid-state television cameras as compiled from patent literature. Organized into 10 chapters, the book begins with the basic array types of solid-state imagers and appropriate read-out circuits and methods. Documents relating to improvement of picture quality, such as spurious signal suppression, uniformity correction, or resolution enhancement, are also cited. The last part considerssolid-state color cameras.

  14. Theoretical and vibrational spectroscopic approach to keto-enol tautomerism in methyl-2-(4-methoxybenzoyl)-3-(4-methoxyphenyl)-3-oxopropanoylcarbamate

    Science.gov (United States)

    Arı, Hatice; Özpozan, Talat; Büyükmumcu, Zeki; Kabacalı, Yiğit; Saçmaci, Mustafa

    2016-10-01

    A carbamate compound having tricarbonyl groups, methyl-2-(4-methoxybenzoyl)-3-(4-methoxyphenyl)-3-oxopropanoylcarbamate (BPOC) was investigated from theoretical and vibrational spectroscopic point of view employing quantum chemical methods. Hybrid Density Functionals (B3LYP, X3LYP and B3PW91) with 6-311 G(d,p) basis set were used for the calculations. Rotational barrier and conformational analyses were performed to find the most stable conformers of keto and enol forms of the molecule. Three transition states for keto-enol tautomerism in gas phase were determined. The results of the calculations show that enol-1 form of BPOC is more stable than keto and enol-2 forms. Hydrogen bonding investigation including Natural bond orbital analysis (NBO) for all the tautomeric structures was employed to compare intra-molecular interactions. The energies of HOMO and LUMO molecular orbitals for all tautomeric forms of BPOC were predicted. Normal Coordinate Analysis (NCA) was carried out for the enol-1 to assign vibrational bands of IR and Raman spectra. The scaling factors were calculated as 0.9721, 0.9697 and 0.9685 for B3LYP, X3LYP and B3PW91 methods, respectively. The correlation graphs of experimental versus calculated vibrational wavenumbers were plotted and X3LYP method gave better frequency agreement than the others.

  15. Water-mediated tautomerization of cytosine to the rare imino form: An ab initio dynamics study

    Energy Technology Data Exchange (ETDEWEB)

    Fogarasi, Geza [Institute of Chemistry, Eotvos University, H-1518 Budapest, Pf. 32. (Hungary)], E-mail: fg@chem.elte.hu

    2008-06-16

    Tautomerism in nucleotide bases is one of the possible mechanisms of mutation of DNA. In spite of numerous studies on the structure and energy of cytosine tautomers, little information is available on the process of proton transfer itself. We present here Born-Oppenheimer dynamics calculations, with the potential surface obtained 'on the fly' from ab initio quantum chemistry (QC) and the atoms moving classically. In search for water-mediated tautomerization the monohydrated complex was studied, running about 300 trajectories each of 3000-5000 points of 1 fs steps. One single trajectory has been found to lead to tautomerization. Although the QC method used in the simulations was inevitably modest (B3LYP/3-21G), higher-level test calculations along the same trajectory suggest that the simulation grasped the basic mechanism of proton transfer: a concerted, synchronous process characterized by strong coupling between the motions of the two participating hydrogen atoms.

  16. Untitled

    Indian Academy of Sciences (India)

    Keywords. Organic solid state; topochemistry; crystal engineering; x-ray crystallography; molecular complexes; photochemistry; atom-atom potentials; solid state tautomerism; intercalation. 1. Introduction. How do organic molecules organise themselves in crystals? Can one predict the crystal structure of an organic solid?

  17. X-Ray, IR, NMR, UV-visible spectra and DFT analysis of 5-aryloxy-(1H-tetrazoles, structure, conformation and tautomerism

    Directory of Open Access Journals (Sweden)

    Nader Noroozi Pesyan

    2014-03-01

    Full Text Available The predominant tautomeric forms of N1–H, N2–H of 5-(2,6-dimethyl- and 5-(2,6-diisopropylphenoxy-(1H-tetrazoles were analyzed at B3LYP method using 6-311G(d,p basis set in the gas phase. The N1–H form of tetrazoles was found to be more stable than N2–H form in both solid and gas phases. Crystal structures of both tetrazoles show an intermolecular H-bond between N1-H and N4 atom of other tetrazole space. The hydrogen bonds between each tautomer of tetrazoles were evaluated at B3LYP/6-311G(d,p level. The geometrical parameters and spectral data of tetrazoles and their variation were studied in both solid and gas phases.

  18. Solid-state laser engineering

    CERN Document Server

    Koechner, Walter

    1999-01-01

    Solid-State Laser Engineering, written from an industrial perspective, discusses in detail the characteristics, design, construction, and performance of solid-state lasers. Emphasis is placed on engineering and practical considerations; phenomenological aspects using models are preferred to abstract mathematical derivations. This new edition has extensively been updated to account for recent developments in the areas of diode-laser pumping, laser materials, and nonlinear crystals. Walter Koechner received a doctorate in Electrical Engineering from the University of Technology in Vienna, Austria, in 1965. He has published numerous papers in the fields of solid-state physics, optics, and lasers. Dr. Koechner is founder and president of Fibertek, Inc., a research firm specializing in the design, development, and production of advanced solid-state lasers, optical radars, and remote-sensing systems.

  19. Determination of thermodynamic parameters of tautomerization in gas phase by mass spectrometry and DFT calculations: Keto-enol versus nitrile-ketenimine equilibria.

    Science.gov (United States)

    Giussi, Juan M; Gastaca, Belen; Albesa, Alberto; Cortizo, M Susana; Allegretti, Patricia E

    2011-02-01

    The study of tautomerics equilibria is really important because the reactivity of each compound with tautomeric capacity can be determined from the proportion of each tautomer. In the present work the tautomeric equilibria in some γ,δ-unsaturated β-hydroxynitriles and γ,δ-unsaturated β-ketonitriles were studied. The first family of compounds presents two possible theoretical tautomers, nitrile and ketenimine, while the second one presents four possible theoretical tautomers, keto-nitrile, enol (E and Z)-nitrile and keto-ketenimine. The equilibrium in gas phase was studied by gas chromatography-mass spectrometry (GC-MS). Tautomerization enthalpies were calculated by this methodology, and results were compared with those obtained by density functional theory (DFT) calculations, observing a good agreement between them. Nitrile tautomers were favored within the first family of compounds, while keto-nitrile tautomers were favored in the second family. Copyright © 2010 Elsevier B.V. All rights reserved.

  20. Understanding solid state physics

    CERN Document Server

    Holgate, Sharon Ann

    2009-01-01

    Where Sharon Ann Holgate has succeeded in this book is in packing it with examples of the application of solid state physics to technology. … All the basic elements of solid state physics are covered … . The range of materials is good, including as it does polymers and glasses as well as crystalline solids. In general, the style makes for easy reading. … Overall this book succeeds in showing the relevance of solid state physics to the modern world … .-Contemporary Physics, Vol. 52, No. 2, 2011I was indeed amused and inspired by the wonderful images throughout the book, carefully selected by th

  1. Solid-state laser engineering

    CERN Document Server

    Koechner, Walter

    1996-01-01

    Solid-State Laser Engineering, written from an industrial perspective, discusses in detail the characteristics, design, construction, and performance of solid-state lasers. Emphasis is placed on engineering and practical considerations; phenomenological aspects using models are preferred to abstract mathematical derivations. This new edition has extensively been updated to account for recent developments in the areas of diode-laser pumping, mode locking, ultrashort-pulse generation etc. Walter Koechner received a doctorate in Electrical Engineering from the University of Technology in Vienna, Austria, in 1965. He has published numerous papers in the fields of solid-state physics, optics, and lasers. Dr. Koechner is founder and president of Fibertek, Inc., a research firm specializing in the design, development, and production of advanced solid-state lasers, optical radars, and remote-sensing systems.

  2. Solid state chemistry an introduction

    CERN Document Server

    Smart, Lesley E

    2012-01-01

    ""Smart and Moore are engaging writers, providing clear explanations for concepts in solid-state chemistry from the atomic/molecular perspective. The fourth edition is a welcome addition to my bookshelves. … What I like most about Solid State Chemistry is that it gives simple clear descriptions for a large number of interesting materials and correspondingly clear explanations of their applications. Solid State Chemistry could be used for a solid state textbook at the third or fourth year undergraduate level, especially for chemistry programs. It is also a useful resource for beginning graduate

  3. The solid state maser

    CERN Document Server

    Orton, J W; Walling, J C; Ter Haar, D

    1970-01-01

    The Solid State Maser presents readings related to solid state maser amplifier from the first tentative theoretical proposals that appeared in the early 1950s to the successful realization of practical devices and their application to satellite communications and radio astronomy almost exactly 10 years later. The book discusses a historical account of the early developments (including that of the ammonia maser) of solid state maser; the properties of paramagnetic ions in crystals; the development of practical low noise amplifiers; and the characteristics of maser devices designed for communica

  4. Solid state chemistry and its applications

    CERN Document Server

    West, Anthony R

    2013-01-01

    Solid State Chemistry and its Applications, 2nd Edition: Student Edition is an extensive update and sequel to the bestselling textbook Basic Solid State Chemistry, the classic text for undergraduate teaching in solid state chemistry worldwide. Solid state chemistry lies at the heart of many significant scientific advances from recent decades, including the discovery of high-temperature superconductors, new forms of carbon and countless other developments in the synthesis, characterisation and applications of inorganic materials. Looking forward, solid state chemistry will be crucial for the

  5. Electronic and transport properties of Cobalt-based valence tautomeric molecules and polymers

    Science.gov (United States)

    Chen, Yifeng; Calzolari, Arrigo; Buongiorno Nardelli, Marco

    2011-03-01

    The advancement of molecular spintronics requires further understandings of the fundamental electronic structures and transport properties of prototypical spintronics molecules and polymers. Here we present a density functional based theoretical study of the electronic structures of Cobalt-based valence tautomeric molecules Co III (SQ)(Cat)L Co II (SQ)2 L and their polymers, where SQ refers to the semiquinone ligand, and Cat the catecholate ligand, while L is a redox innocent backbone ligand. The conversion from low-spin Co III ground state to high-spin Co II excited state is realized by imposing an on-site potential U on the Co atom and elongating the Co-N bond. Transport properties are subsequently calculated by extracting electronic Wannier functions from these systems and computing the charge transport in the ballistic regime using a Non-Equilibrium Green's Function (NEGF) approach. Our transport results show distinct charge transport properties between low-spin ground state and high-spin excited state, hence suggesting potential spintronics devices from these molecules and polymers such as spin valves.

  6. Crystal and molecular structures of 3-amino-4-hydroxy benzenesulfonamide and its hydrochloride: Quantum-chemical study of their tautomerism

    Energy Technology Data Exchange (ETDEWEB)

    Kovalchukova, O. V., E-mail: okovalchukova@mail.ru; Strashnova, S. B.; Romashkina, E. P.; Strashnov, P. V.; Zaitsev, B. E. [Peoples' Friendship University of Russia (Russian Federation); Sergienko, V. S. [Russian Academy of Sciences, Kurnakov Institute of General and Inorganic Chemistry (Russian Federation)

    2013-03-15

    3-amino-4-hydroxy benzenesulfonamide and its hydrochloride have been isolated in the crystalline state. Their crystal and molecular structures are determined by X-ray diffraction. The equilibrium between neutral tautomeric forms of the 3-amino-4-hydroxy benzenesulfonamide molecule is studied within the approximation of density functional theory (B3LYP/aug-cc-pVDZ). The constants of acid-base equilibrium of 3-amino-4-hydroxy benzenesulfonamide are deter-mined using spectrophotometry.

  7. Einstein and solid-state physics

    International Nuclear Information System (INIS)

    Aut, I.

    1982-01-01

    A connection between the development of solid-state physics and the works and activity of Albert Einstein is traced. A tremendous Einstein contribution to solid state physics is marked. A strict establishment of particle-wave dualism; a conclusion about the applicability of the Plank radiation law not only to black body radiation; finding out particles indistinguishability - all three discoveries have a principle significance for solid state physics too

  8. How many tautomerization pathways connect Watson-Crick-like G*·T DNA base mispair and wobble mismatches?

    Science.gov (United States)

    Brovarets', Ol'ha O; Hovorun, Dmytro M

    2015-01-01

    In this study, we have theoretically demonstrated the intrinsic ability of the wobble G·T(w)/G*·T*(w)/G·T(w1)/G·T(w2) and Watson-Crick-like G*·T(WC) DNA base mispairs to interconvert into each other via the DPT tautomerization. We have established that among all these transitions, only one single G·T(w) ↔ G*·T(WC) pathway is eligible from a biological perspective. It involves short-lived intermediate - the G·T*(WC) base mispair - and is governed by the planar, highly stable, and zwitterionic [Formula: see text] transition state stabilized by the participation of the unique pattern of the five intermolecular O6(+)H⋯O4(-), O6(+)H⋯N3(-), N1(+)H⋯N3(-), N1(+)H⋯O2(-), and N2(+)H⋯O2(-) H-bonds. This non-dissociative G·T(w) ↔ G*·T(WC) tautomerization occurs without opening of the pair: Bases within mispair remain connected by 14 different patterns of the specific intermolecular interactions that successively change each other along the IRC. Novel kinetically controlled mechanism of the thermodynamically non-equilibrium spontaneous point GT/TG incorporation errors has been suggested. The mutagenic effect of the analogues of the nucleotide bases, in particular 5-bromouracil, can be attributed to the decreasing of the barrier of the acquisition by the wobble pair containing these compounds of the enzymatically competent Watson-Crick's geometry via the intrapair mutagenic tautomerization directly in the essentially hydrophobic recognition pocket of the replication DNA-polymerase machinery. Proposed approaches are able to explain experimental data, namely growth of the rate of the spontaneous point incorporation errors during DNA biosynthesis with increasing temperature.

  9. Spectrometric Study of the Nitrile-Ketenimines Tautomerism

    International Nuclear Information System (INIS)

    Cisneros, H.S.; Laurella, S.; Ruiz, D.L.; Ponzinibbio, A.; Allegretti, P.E.; Furlong, J.J.P.

    2011-01-01

    Mass spectrometry is used to evaluate the occurrence of the nitrile-ketenimines tautomerism. Mass spectra of two differently substituted nitriles, ethyl-4,4-dicyano-3-methyl-3-butenoate and diethyl-2-cyano-3-methyl-2-pentenodiate are examined looking for common mass spectral behaviors. Ion fragmentation assignments for specific tautomers allow to predict the presence of the corresponding structures. Additionally, the mass spectrum and nuclear magnetic resonance spectra of ethyl-4,4-dicyano-2,2-diethyl-3-methyl-3-butenoate and that of the corresponding amination product support the occurrence of the ketenimines tautomer in the equilibrium

  10. Spectrometric Study of the Nitrile-Ketenimine Tautomerism

    Directory of Open Access Journals (Sweden)

    Hebe Saraví Cisneros

    2009-01-01

    Full Text Available Mass spectrometry is used to evaluate the occurrence of the nitrile-ketenimine tautomerism. Mass spectra of two differently substituted nitriles, ethyl-4,4-dicyano-3-methyl-3-butenoate and diethyl-2-cyano-3-methyl-2-pentenodiate are examined looking for common mass spectral behaviors. Ion fragmentation assignments for specific tautomers allow to predict the presence of the corresponding structures. Additionally, the mass spectrum and nuclear magnetic resonance spectra of ethyl-4,4-dicyano-2,2-diethyl-3-methyl-3-butenoate and that of the corresponding amination product support the occurrence of the ketenimine tautomer in the equilibrium.

  11. Solid-state circuits

    CERN Document Server

    Pridham, G J

    2013-01-01

    Solid-State Circuits provides an introduction to the theory and practice underlying solid-state circuits, laying particular emphasis on field effect transistors and integrated circuits. Topics range from construction and characteristics of semiconductor devices to rectification and power supplies, low-frequency amplifiers, sine- and square-wave oscillators, and high-frequency effects and circuits. Black-box equivalent circuits of bipolar transistors, physical equivalent circuits of bipolar transistors, and equivalent circuits of field effect transistors are also covered. This volume is divided

  12. Direct determination of tautomerism in purine derivatives by low-temperature NMR spectroscopy

    Czech Academy of Sciences Publication Activity Database

    Sečkářová, P.; Marek, R.; Maliňáková, K.; Kolehmainen, E.; Hocková, Dana; Hocek, Michal; Sklenář, V.

    2004-01-01

    Roč. 45, č. 33 (2004), s. 6259-6263 ISSN 0040-4039 R&D Projects: GA MŠk LN00A016 Institutional research plan: CEZ:AV0Z4055905 Keywords : purine * NMR * tautomerism Subject RIV: CC - Organic Chemistry Impact factor: 2.484, year: 2004

  13. METHOD FOR THE MEASUREMENT OF SITE-SPECIFIC TAUTOMERIC AND ZWITTERIONIC MICROSPECIES EQUILIBRIUM CONSTANTS

    Science.gov (United States)

    We describe a method for the individual measurement of simultaneously occurring, unimolecular, site-specific “microequilibrium” constants as in, for example, prototropic tautomerism and zwitterionic equilibria. Our method represents an elaboration of that of Nygren et al. (Anal. ...

  14. Tautomerization and Dimerization of 6,13-Disubstituted Derivatives of Pentacene.

    Science.gov (United States)

    Garcia-Borràs, Marc; Konishi, Akihito; Waterloo, Andreas; Liang, Yong; Cao, Yang; Hetzer, Constantin; Lehnherr, Dan; Hampel, Frank; Houk, Kendall N; Tykwinski, Rik R

    2017-05-02

    Two new 6,13-disubstituted pentacene derivatives, 1 c and 1 d, with alkyl and triisopropylsilylethynyl substitution have been synthesized and characterized experimentally and computationally. The alkyl substituted 1 c and 1 d represent the first 6-alkyl-substituted pentacene derivative where the fully aromatic species dominates over the corresponding tautomer. Indeed, no tautomerization product is found for either 1 c or 1 d upon heating or in the presence of catalytic amounts of acid. On the other hand, an unexpected dimer (3 c) is formed from 1 c. A plausible mechanism for this new dimerization process of the 6-methyl-substituted pentacene derivative 1 c is proposed, which involves first a bimolecular hydrogen atom transfer followed by an intramolecular [4+2] Diels-Alder cycloaddition. In the case of 6-butyl substitution, neither tautomerization nor dimerization is observed. Computations support the proposed 1 c dehydrodimerization pathway, explain why 1 d does not dimerize, and show the importance of the nature of the group at C-13 in controlling the relative stability of 6-alkyl-substituted pentacene tautomers. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. New materials for solid state electrochemistry

    International Nuclear Information System (INIS)

    Ferloni, P.; Consiglio Nazionale delle Ricerche, Pavia; Magistris, A.; Consiglio Nazionale delle Ricerche, Pavia

    1994-01-01

    Solid state electrochemistry is an interdisciplinary area, undergoing nowadays a fast development. It is related on the one hand to chemistry, and on the other hand to crystallography, solid state physics and materials science. In this paper structural and electrical properties of some families of new materials interesting for solid state electrochemistry are reviewed. Attention is focused essentially on ceramic and crystalline materials, glasses and polymers, displaying high ionic conductivity and potentially suitable for various applications in solid state electrochemical devices. (orig.)

  16. Theoretical solid state physics

    International Nuclear Information System (INIS)

    Anon.

    1977-01-01

    Research activities at ORNL in theoretical solid state physics are described. Topics covered include: surface studies; particle-solid interactions; electronic and magnetic properties; and lattice dynamics

  17. Solid-State Physics Introduction to the Theory

    CERN Document Server

    Patterson, James

    2010-01-01

    Learning Solid State Physics involves a certain degree of maturity, since it involves tying together diverse concepts from many areas of physics. The objective is to understand, in a basic way, how solid materials behave. To do this one needs both a good physical and mathematical background. One definition of Solid State Physics is it is the study of the physical (e.g. the electrical, dielectric, magnetic, elastic, and thermal) properties of solids in terms of basic physical laws. In one sense, Solid State Physics is more like chemistry than some other branches of physics because it focuses on common properties of large classes of materials. It is typical that Solid State Physics emphasizes how physics properties link to electronic structure. We have retained the term Solid Modern solid state physics came of age in the late thirties and forties and is now is part of condensed matter physics which includes liquids, soft materials, and non-crystalline solids. This solid state/condensed matter physics book begin...

  18. Tautomeric transformations of piroxicam in solution: a combined experimental and theoretical study

    DEFF Research Database (Denmark)

    Ivanova, D; Deneva, V; Nedeltcheva, D

    2015-01-01

    Piroxicam tautomerism was studied in solution by using UV-Vis spectroscopy, NMR measurements and advanced chemometrics. It has been found that in ethanol and DMSO the enol-amide tautomer is present mainly as a sandwich type dimer. The addition of water leads to distortion of the aggregate...

  19. Prototropic tautomerism of 4-Methyl 1,2,4-Triazole-3-Thione molecule in solvent water medium: DFT and Car–Parrinello molecular dynamics study

    International Nuclear Information System (INIS)

    Dutta, Bipan; De, Rina; Chowdhury, Joydeep

    2015-01-01

    Highlights: • The tautomerism of 4-MTTN molecule in solvent water medium has been investigated. • CPMD presage the possibility of PT reactions through the solvent water medium. • Concerted PT processes in 4-MTTN have been estimated from the DFT and NBO analyses. • Percentage evolution and breaking of the concerned bonds are estimated. - Abstract: The ground state prototropic tautomerism of 4-Methyl 1,2,4-Triazole-3-Thione molecule in solvent water medium has been investigated with the aid of DFT and Car–Parrinello molecular dynamics (CPMD) simulation studies. The CPMD simulations envisage the possibility of proton transfer reactions of the molecule through the solvent water medium. Probable proton transfer pathways have been predicted from the DFT calculations which are substantiated by the natural bond orbital analyses. The evolution and breaking of the concerned bonds of the molecule for different proton transfer reaction pathways are also estimated.

  20. Quantum Computing in Solid State Systems

    CERN Document Server

    Ruggiero, B; Granata, C

    2006-01-01

    The aim of Quantum Computation in Solid State Systems is to report on recent theoretical and experimental results on the macroscopic quantum coherence of mesoscopic systems, as well as on solid state realization of qubits and quantum gates. Particular attention has been given to coherence effects in Josephson devices. Other solid state systems, including quantum dots, optical, ion, and spin devices which exhibit macroscopic quantum coherence are also discussed. Quantum Computation in Solid State Systems discusses experimental implementation of quantum computing and information processing devices, and in particular observations of quantum behavior in several solid state systems. On the theoretical side, the complementary expertise of the contributors provides models of the various structures in connection with the problem of minimizing decoherence.

  1. Solid state theory

    CERN Document Server

    Harrison, Walter A

    2011-01-01

    ""A well-written text . . . should find a wide readership, especially among graduate students."" - Dr. J. I. Pankove, RCA.The field of solid state theory, including crystallography, semi-conductor physics, and various applications in chemistry and electrical engineering, is highly relevant to many areas of modern science and industry. Professor Harrison's well-known text offers an excellent one-year graduate course in this active and important area of research. While presenting a broad overview of the fundamental concepts and methods of solid state physics, including the basic quantum theory o

  2. Solid-State Nanopore

    Directory of Open Access Journals (Sweden)

    Zhishan Yuan

    2018-02-01

    Full Text Available Abstract Solid-state nanopore has captured the attention of many researchers due to its characteristic of nanoscale. Now, different fabrication methods have been reported, which can be summarized into two broad categories: “top-down” etching technology and “bottom-up” shrinkage technology. Ion track etching method, mask etching method chemical solution etching method, and high-energy particle etching and shrinkage method are exhibited in this report. Besides, we also discussed applications of solid-state nanopore fabrication technology in DNA sequencing, protein detection, and energy conversion.

  3. Solid State Physics Introduction to the Theory

    CERN Document Server

    Patterson, James D

    2007-01-01

    Learning Solid State Physics involves a certain degree of maturity, since it involves tying together diverse concepts from many areas of physics. The objective is to understand, in a basic way, how solid materials behave. To do this one needs both a good physical and mathematical background. One definition of Solid State Physics is it is the study of the physical (e.g. the electrical, dielectric, magnetic, elastic, and thermal) properties of solids in terms of basic physical laws. In one sense, Solid State Physics is more like chemistry than some other branches of physics because it focuses on common properties of large classes of materials. It is typical that Solid State Physics emphasizes how physics properties link to electronic structure. We have retained the term Solid State Physics, even though Condensed Matter Physics is more commonly used. Condensed Matter Physics includes liquids and non-crystalline solids such as glass, which we shall not discuss in detail. Modern Solid State Physics came of age in ...

  4. Solid-state devices and applications

    CERN Document Server

    Lewis, Rhys

    1971-01-01

    Solid-State Devices and Applications is an introduction to the solid-state theory and its devices and applications. The book also presents a summary of all major solid-state devices available, their theory, manufacture, and main applications. The text is divided into three sections. The first part deals with the semiconductor theory and discusses the fundamentals of semiconductors; the kinds of diodes and techniques in their manufacture; the types and modes of operation of bipolar transistors; and the basic principles of unipolar transistors and their difference with bipolar transistors. The s

  5. Solid-state polymeric dye lasers

    CERN Document Server

    Singh, S; Sridhar, G; Muthuswamy, V; Raja, K

    2003-01-01

    This paper presents a review of the organic solid-state polymer materials, which have become established as a new laser media. The photostability of these materials is discussed. Different types of solid-state lasers built around these materials are also reviewed.

  6. Organic solid-state lasers

    CERN Document Server

    Forget, Sébastien

    2013-01-01

    Organic lasers are broadly tunable coherent sources, potentially compact, convenient and manufactured at low-costs. Appeared in the mid 60’s as solid-state alternatives for liquid dye lasers, they recently gained a new dimension after the demonstration of organic semiconductor lasers in the 90's. More recently, new perspectives appeared at the nanoscale, with organic polariton and surface plasmon lasers. After a brief reminder to laser physics, a first chapter exposes what makes organic solid-state organic lasers specific. The laser architectures used in organic lasers are then reviewed, with a state-of-the-art review of the performances of devices with regard to output power, threshold, lifetime, beam quality etc. A survey of the recent trends in the field is given, highlighting the latest developments with a special focus on the challenges remaining for achieving direct electrical pumping of organic semiconductor lasers. A last chapter covers the applications of organic solid-state lasers.

  7. Solid-State NMR Study of New Copolymers as Solid Polymer Electrolytes

    Directory of Open Access Journals (Sweden)

    Jean-Christophe Daigle

    2018-01-01

    Full Text Available We report the analysis of comb-like polymers by solid-state NMR. The polymers were previously evaluated as solid-polymer-electrolytes (SPE for lithium-polymer-metal batteries that have suitable ionic conductivity at 60 °C. We propose to develop a correlation between 13C solid-state NMR measurements and phase segregation. 13C solid-state NMR is a perfect tool for differentiating polymer phases with fast or slow motions. 7Li was used to monitor the motion of lithium ions in the polymer, and activation energies were calculated.

  8. Solid Lithium Ion Conductors (SLIC) for Lithium Solid State Batteries

    Data.gov (United States)

    National Aeronautics and Space Administration — To identify the most lithium-ion conducting solid electrolytes for lithium solid state batteries from the emerging types of solid electrolytes, based on a...

  9. Solid state magnetism

    CERN Document Server

    Crangle, John

    1991-01-01

    Solid state magnetism is important and attempts to understand magnetic properties have led to an increasingly deep insight into the fundamental make up of solids. Both experimental and theoretical research into magnetism continue to be very active, yet there is still much ground to cover before there can be a full understanding. There is a strong interplay between the developments of materials science and of magnetism. Hundreds of new materials have been dis­ covered, often with previously unobserved and puzzling magnetic prop­ erties. A large and growing technology exists that is based on the magnetic properties of materials. Very many devices used in everyday life involve magnetism and new applications are being invented all the time. Under­ standing the fundamental background to the applications is vital to using and developing them. The aim of this book is to provide a simple, up-to-date introduction to the study of solid state magnetism, both intrinsic and technical. It is designed to meet the needs a...

  10. High-powered, solid-state rf systems

    International Nuclear Information System (INIS)

    Reid, D.W.

    1987-01-01

    Over the past two years, the requirement to supply megawatts of rf power for space-based applications at uhf and L-band frequencies has caused dramatic increases in silicon solid-state power capabilities in the frequency range from 10 to 3000 MHz. Radar and communications requirements have caused similar increases in gallium arsenide solid-state power capabilities in the frequency ranges from 3000 to 10,000 MHz. This paper reviews the present state of the art for solid-state rf amplifiers for frequencies from 10 to 10,000 MHz. Information regarding power levels, size, weight, and cost will be given. Technical specifications regarding phase and amplitude stability, efficiency, and system architecture will be discussed. Solid-stage rf amplifier susceptibility to radiation damage will also be examined

  11. Solid-state lithium battery

    Science.gov (United States)

    Ihlefeld, Jon; Clem, Paul G; Edney, Cynthia; Ingersoll, David; Nagasubramanian, Ganesan; Fenton, Kyle Ross

    2014-11-04

    The present invention is directed to a higher power, thin film lithium-ion electrolyte on a metallic substrate, enabling mass-produced solid-state lithium batteries. High-temperature thermodynamic equilibrium processing enables co-firing of oxides and base metals, providing a means to integrate the crystalline, lithium-stable, fast lithium-ion conductor lanthanum lithium tantalate (La.sub.1/3-xLi.sub.3xTaO.sub.3) directly with a thin metal foil current collector appropriate for a lithium-free solid-state battery.

  12. Fluidized Bed Reactor as Solid State Fermenter

    Directory of Open Access Journals (Sweden)

    Krishnaiah, K.

    2005-01-01

    Full Text Available Various reactors such as tray, packed bed, rotating drum can be used for solid-state fermentation. In this paper the possibility of fluidized bed reactor as solid-state fermenter is considered. The design parameters, which affect the performances are identified and discussed. This information, in general can be used in the design and the development of an efficient fluidized bed solid-state fermenter. However, the objective here is to develop fluidized bed solid-state fermenter for palm kernel cake conversion into enriched animal and poultry feed.

  13. Solid state physics for metallurgists

    CERN Document Server

    Weiss, Richard J

    2013-01-01

    Metal Physics and Physical Metallurgy, Volume 6: Solid State Physics for Metallurgists provides an introduction to the basic understanding of the properties that make materials useful to mankind. This book discusses the electronic structure of matter, which is the domain of solid state physics.Organized into 12 chapters, this volume begins with an overview of the electronic structure of free atoms and the electronic structure of solids. This text then examines the basis of the Bloch theorem, which is the exact periodicity of the potential. Other chapters consider the fundamental assumption in

  14. Solid-State Powered X-band Accelerator

    Energy Technology Data Exchange (ETDEWEB)

    Othman, Mohamed A.K. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Nann, Emilio A. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Dolgashev, Valery A. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Tantawi, Sami [SLAC National Accelerator Lab., Menlo Park, CA (United States); Neilson, Jeff [SLAC National Accelerator Lab., Menlo Park, CA (United States)

    2017-03-06

    In this report we disseminate the hot test results of an X-band 100-W solid state amplifier chain for linear accelerator (linac) applications. Solid state power amplifiers have become increasingly attractive solutions for achieving high power in radar and maritime applications. Here the performance of solid state amplifiers when driving an RF cavity is investigated. Commercially available, matched and fully-packaged GaN on SiC HEMTs are utilized, comprising a wideband driver stage and two power stages. The amplifier chain has a high poweradded- efficiency and is able to supply up to ~1.2 MV/m field gradient at 9.2 GHz in a simple test cavity, with a peak power exceeding 100 W. These findings set forth the enabling technology for solid-state powered linacs.

  15. Density functional theory and surface enhanced Raman spectroscopy studies of tautomeric hypoxanthine and its adsorption behaviors in electrochemical processes

    International Nuclear Information System (INIS)

    Huang, Wei; Jiang, Jin-Zhi; Chen, Liang; Zhang, Bi-Qi; Deng, Shu-Fen; Sun, Jian Jun; Chen, Wen-Kai

    2015-01-01

    ABSTRACT: Hypoxanthine, a purine heterocyclic compound with N and O atoms, has capability to combine metal ions or adsorb on metals. By using density functional theory (DFT) method calculation, the energy, charge distribution, molecular orbital and vibration spectra information of tautomeric hypoxanthine were given. Combined with these DFT results, the influence of pH on the structure of tautomeric hypoxanthine was studied by surface enhanced Raman spectroscopy (SERS). Electrochemical SERS was applied to study the properties of hypoxanthine/gold interface. It is found that the structure of adsorbed hypoxanthine was changed from slightly tilted to upright with negatively moving of potentials

  16. A DFT study of solvation effects and NBO analysis on the tautomerism of 1-substituted hydantoin

    Directory of Open Access Journals (Sweden)

    Meisam Shabanian

    2016-09-01

    Full Text Available 1-Substituted hydantoins (1-SH have been known as a benefit intermediate for producing agricultural and pharmaceuticals. The effect of solvent polarity on the tautomeric equilibria of 1-substituted hydantoin ring is studied by the density functional theory calculation (B3LYP/6–31++G(d,p level for predominant tautomeric forms of hydantoin derivatives (1-NO2, 1-CF3, 1-Br, 1-H, 1-CHCH2, 1-OH, 1-CH3 in the gas phase and selected solvents (benzene (non-polar solvent, tetrahydrofuran (THF (polar aprotic solvent and water (protic solvent. For electron withdrawing and releasing derivatives in the gas phase and solution Hy1 forms is more stable and dominant form. In addition variation of dipole moments and charges on atoms in the solvents are studied.

  17. Solid-state lighting-a benevolent technology

    International Nuclear Information System (INIS)

    Schubert, E Fred; Kim, Jong Kyu; Luo Hong; Xi, J-Q

    2006-01-01

    Solid-state light sources are in the process of profoundly changing the way humans generate light for general lighting applications. Solid-state light sources possess two highly desirable features, which set them apart from most other light sources: (i) they have the potential to create light with essentially unit power efficiency and (ii) the properties of light, such as spectral composition and temporal modulation, can be controlled to a degree that is not possible with conventional light sources such as incandescent and fluorescent lamps. The implications are enormous and, as a consequence, many positive developments are to be expected including a reduction in global energy consumption, reduction of global-warming-gas and pollutant emissions and a multitude of new functionalities benefiting numerous applications. This review will assess the impact of solid-state lighting technology on energy consumption, the environment and on emerging application fields that make use of the controllability afforded by solid-state sources. The review will also discuss technical areas that fuel continued progress in solid-state lighting. Specifically, we will review the use of novel phosphor distributions in white light-emitting diodes (LEDs) and show the strong influence of phosphor distribution on efficiency. We will also review the use of reflectors in LEDs with emphasis on 'perfect' reflectors, i.e. reflectors with highly reflective omni-directional characteristics. Finally, we will discuss a new class of thin-film materials with an unprecedented low refractive index. Such low-n materials may strongly contribute to the continuous progress in solid-state lighting

  18. Why the tautomerization of the G·C Watson-Crick base pair via the DPT does not cause point mutations during DNA replication? QM and QTAIM comprehensive analysis.

    Science.gov (United States)

    Brovarets', Ol'ha O; Hovorun, Dmytro M

    2014-01-01

    The ground-state tautomerization of the G·C Watson-Crick base pair by the double proton transfer (DPT) was comprehensively studied in vacuo and in the continuum with a low dielectric constant (ϵ = 4), corresponding to a hydrophobic interface of protein-nucleic acid interactions, using DFT and MP2 levels of quantum-mechanical (QM) theory and quantum theory "Atoms in molecules" (QTAIM). Based on the sweeps of the electron-topological, geometric, polar, and energetic parameters, which describe the course of the G·C ↔ G*·C* tautomerization (mutagenic tautomers of the G and C bases are marked with an asterisk) through the DPT along the intrinsic reaction coordinate (IRC), it was proved that it is, strictly speaking, a concerted asynchronous process both at the DFT and MP2 levels of theory, in which protons move with a small time gap in vacuum, while this time delay noticeably increases in the continuum with ϵ = 4. It was demonstrated using the conductor-like polarizable continuum model (CPCM) that the continuum with ϵ = 4 does not qualitatively affect the course of the tautomerization reaction. The DPT in the G·C Watson-Crick base pair occurs without any intermediates both in vacuum and in the continuum with ϵ = 4 at the DFT/MP2 levels of theory. The nine key points along the IRC of the G·C base pair tautomerization, which could be considered as electron-topological "fingerprints" of a concerted asynchronous process of the tautomerization via the DPT, have been identified and fully characterized. These key points have been used to define the reactant, transition state, and product regions of the DPT reaction in the G·C base pair. Analysis of the energetic characteristics of the H-bonds allows us to arrive at a definite conclusion that the middle N1H⋯N3/N3H⋯N1 and the lower N2H⋯O2/N2H⋯O2 parallel H-bonds in the G·C/G*·C* base pairs, respectively, are anticooperative, that is, the strengthening of the middle H-bond is accompanied

  19. Two dimensional solid state NMR

    International Nuclear Information System (INIS)

    Kentgens, A.P.M.

    1987-01-01

    This thesis illustrates, by discussing some existing and newly developed 2D solid state experiments, that two-dimensional NMR of solids is a useful and important extension of NMR techniques. Chapter 1 gives an overview of spin interactions and averaging techniques important in solid state NMR. As 2D NMR is already an established technique in solutions, only the basics of two dimensional NMR are presented in chapter 2, with an emphasis on the aspects important for solid spectra. The following chapters discuss the theoretical background and applications of specific 2D solid state experiments. An application of 2D-J resolved NMR, analogous to J-resolved spectroscopy in solutions, to natural rubber is given in chapter 3. In chapter 4 the anisotropic chemical shift is mapped out against the heteronuclear dipolar interaction to obtain information about the orientation of the shielding tensor in poly-(oxymethylene). Chapter 5 concentrates on the study of super-slow molecular motions in polymers using a variant of the 2D exchange experiment developed by us. Finally chapter 6 discusses a new experiment, 2D nutation NMR, which makes it possible to study the quadrupole interaction of half-integer spins. 230 refs.; 48 figs.; 8 tabs

  20. Macroscopic modelling of solid-state fermentation

    NARCIS (Netherlands)

    Hoogschagen, M.J.

    2007-01-01

    Solid-state fermentation is different from the more well known process of liquid fermentation because no free flowing water is present. The technique is primarily used in Asia. Well-known products are the foods tempe, soy sauce and saké. In industrial solid-state fermentation, the substrate usually

  1. Solid State Photovoltaic Research Branch

    Energy Technology Data Exchange (ETDEWEB)

    1990-09-01

    This report summarizes the progress of the Solid State Photovoltaic Research Branch of the Solar Energy Research Institute (SERI) from October 1, 1988, through September 30,l 1989. Six technical sections of the report cover these main areas of SERIs in-house research: Semiconductor Crystal Growth, Amorphous Silicon Research, Polycrystalline Thin Films, III-V High-Efficiency Photovoltaic Cells, Solid-State Theory, and Laser Raman and Luminescence Spectroscopy. Sections have been indexed separately for inclusion on the data base.

  2. FT-IR and FT-Raman spectra of 5-chlorocytosine: Solid state simulation and tautomerism. Effect of the chlorine substitution in the Watson-Crick base pair 5-chlorodeoxycytidine-deoxyguanosine

    Science.gov (United States)

    Alcolea Palafox, M.; Rastogi, V. K.; Singh, S. P.

    2018-01-01

    The laser Raman and IR spectra of 5-chlorocytosine have been recorded and accurately assigned in the solid state using Density functional calculations (DFT) together with the linear scaling equation procedure (LSE) and the solid state simulation of the crystal unit cell through a tetramer form. These results remarkably improve those reported previously by other authors. Several new scaling equations were proposed to be used in related molecules. The six main tautomers of the biomolecule 5-chlorocytosine were determined and optimized at the MP2 and CCSD levels, using different basis sets. The relative stabilities were compared with those obtained in cytosine and their 5-halo derivatives. Several relationships between energies, geometric parameters and NBO atomic charges were established. The effect of the chlorine substitution in the fifth position was evaluated through the stability of the Watson-Crick (WC) base pair of 5-chlorodeoxycytidine with deoxyguanosine, and through their vibrational spectra.

  3. Computational study of the NH-tautomerism in calix[4]phyrins observed by NMR spectroscopy

    Czech Academy of Sciences Publication Activity Database

    Horníček, Jan; Dvořáková, H.; Bouř, Petr

    2009-01-01

    Roč. 16, 1a (2009), b31-b31 ISSN 1211-5894. [Meeting of the Czechoslovak and Slovak Biologists /7./. 12.03.2009-14.03.2009, Nové Hrady] Institutional research plan: CEZ:AV0Z40550506 Keywords : calix[4]phyrin * NH-tautomerism * simulation * potential energy surface Subject RIV: CF - Physical ; Theoretical Chemistry

  4. Solid-state NMR basic principles and practice

    CERN Document Server

    Apperley, David C; Hodgkinson, Paul

    2014-01-01

    Nuclear Magnetic Resonance (NMR) has proved to be a uniquely powerful and versatile tool for analyzing and characterizing chemicals and materials of all kinds. This book focuses on the latest developments and applications for "solid-state" NMR, which has found new uses from archaeology to crystallography to biomaterials and pharmaceutical science research. The book will provide materials engineers, analytical chemists, and physicists, in and out of lab, a survey of the techniques and the essential tools of solid-state NMR, together with a practical guide on applications. In this concise introduction to the growing field of solid-state nuclear magnetic resonance spectroscopy The reader will find: * Basic NMR concepts for solids, including guidance on the spin-1/2 nuclei concept * Coverage of the quantum mechanics aspects of solid state NMR and an introduction to the concept of quadrupolar nuclei * An understanding relaxation, exchange and quantitation in NMR * An analysis and interpretation of NMR data, with e...

  5. Tautomerism provides a molecular explanation for the mutagenic properties of the anti-HIV nucleoside 5-aza-5,6-dihydro-2'-deoxycytidine.

    Science.gov (United States)

    Li, Deyu; Fedeles, Bogdan I; Singh, Vipender; Peng, Chunte Sam; Silvestre, Katherine J; Simi, Allison K; Simpson, Jeffrey H; Tokmakoff, Andrei; Essigmann, John M

    2014-08-12

    Viral lethal mutagenesis is a strategy whereby the innate immune system or mutagenic pool nucleotides increase the error rate of viral replication above the error catastrophe limit. Lethal mutagenesis has been proposed as a mechanism for several antiviral compounds, including the drug candidate 5-aza-5,6-dihydro-2'-deoxycytidine (KP1212), which causes A-to-G and G-to-A mutations in the HIV genome, both in tissue culture and in HIV positive patients undergoing KP1212 monotherapy. This work explored the molecular mechanism(s) underlying the mutagenicity of KP1212, and specifically whether tautomerism, a previously proposed hypothesis, could explain the biological consequences of this nucleoside analog. Establishing tautomerism of nucleic acid bases under physiological conditions has been challenging because of the lack of sensitive methods. This study investigated tautomerism using an array of spectroscopic, theoretical, and chemical biology approaches. Variable temperature NMR and 2D infrared spectroscopic methods demonstrated that KP1212 existed as a broad ensemble of interconverting tautomers, among which enolic forms dominated. The mutagenic properties of KP1212 were determined empirically by in vitro and in vivo replication of a single-stranded vector containing a single KP1212. It was found that KP1212 paired with both A (10%) and G (90%), which is in accord with clinical observations. Moreover, this mutation frequency is sufficient for pushing a viral population over its error catastrophe limit, as observed before in cell culture studies. Finally, a model is proposed that correlates the mutagenicity of KP1212 with its tautomeric distribution in solution.

  6. Photoemission from solids: the transition from solid-state to atomic physics

    International Nuclear Information System (INIS)

    Shirley, D.A.

    1980-08-01

    As the photon energy is increased, photoemission from solids undergoes a slow transition from solid-state to atomic behavior. However, throughout the energy range hν = 10 to 1000 eV or higher both types of phenomena are present. Thus angle-resolved photoemission can only be understood quantitatively if each experimenter recognizes the presence of band-structure, photoelectron diffraction, and photoelectron asymmetry effects. The quest for this understanding will build some interesting bridges between solid-state and atomic physics and should also yield important new insights about the phenomena associated with photoemission

  7. Lithium-ion transport in inorganic solid state electrolyte

    International Nuclear Information System (INIS)

    Gao Jian; Li Hong; Zhao Yu-Sheng; Shi Si-Qi

    2016-01-01

    An overview of ion transport in lithium-ion inorganic solid state electrolytes is presented, aimed at exploring and designing better electrolyte materials. Ionic conductivity is one of the most important indices of the performance of inorganic solid state electrolytes. The general definition of solid state electrolytes is presented in terms of their role in a working cell (to convey ions while isolate electrons), and the history of solid electrolyte development is briefly summarized. Ways of using the available theoretical models and experimental methods to characterize lithium-ion transport in solid state electrolytes are systematically introduced. Then the various factors that affect ionic conductivity are itemized, including mainly structural disorder, composite materials and interface effects between a solid electrolyte and an electrode. Finally, strategies for future material systems, for synthesis and characterization methods, and for theory and calculation are proposed, aiming to help accelerate the design and development of new solid electrolytes. (topical review)

  8. Advances in Solid State Physics

    CERN Document Server

    Haug, Rolf

    2008-01-01

    The present volume 47 of the Advances in Solid State Physics contains the written version of a large number of the invited talks of the 2007 Spring Meeting of the Arbeitskreis Festkörperphysik which was held in Regensburg, Germany, from March 26 to 30, 2007 in conjunction with the 71st Annual Meeting of the Deutsche Physikalische Gesellschaft.It gives an overview of the present status of solid state physics where low-dimensional systems such as quantum dots and quantum wires are dominating. The importance of magnetic materials is reflected by the large number of contributions in the part dealing with ferromagnetic films and particles. One of the most exciting achievements of the last couple of years is the successful application of electrical contacts to and the investigation of single layers of graphene. This exciting physics is covered in Part IV of this book. Terahertz physics is another rapidly moving field which is presented here by five contributions. Achievements in solid state physics are only rarely...

  9. Atomic layer deposition of lithium phosphates as solid-state electrolytes for all-solid-state microbatteries

    International Nuclear Information System (INIS)

    Wang, Biqiong; Liu, Jian; Sun, Qian; Li, Ruying; Sun, Xueliang; Sham, Tsun-Kong

    2014-01-01

    Atomic layer deposition (ALD) has been shown as a powerful technique to build three-dimensional (3D) all-solid-state microbattery, because of its unique advantages in fabricating uniform and pinhole-free thin films in 3D structures. The development of solid-state electrolyte by ALD is a crucial step to achieve the fabrication of 3D all-solid-state microbattery by ALD. In this work, lithium phosphate solid-state electrolytes were grown by ALD at four different temperatures (250, 275, 300, and 325 °C) using two precursors (lithium tert-butoxide and trimethylphosphate). A linear dependence of film thickness on ALD cycle number was observed and uniform growth was achieved at all four temperatures. The growth rate was 0.57, 0.66, 0.69, and 0.72 Å/cycle at deposition temperatures of 250, 275, 300, and 325 °C, respectively. Furthermore, x-ray photoelectron spectroscopy confirmed the compositions and chemical structures of lithium phosphates deposited by ALD. Moreover, the lithium phosphate thin films deposited at 300 °C presented the highest ionic conductivity of 1.73 × 10 −8 S cm −1 at 323 K with ∼0.51 eV activation energy based on the electrochemical impedance spectroscopy. The ionic conductivity was calculated to be 3.3 × 10 −8 S cm −1 at 26 °C (299 K). (paper)

  10. Solid-state membrane module

    Science.gov (United States)

    Gordon, John Howard [Salt Lake City, UT; Taylor, Dale M [Murray, UT

    2011-06-07

    Solid-state membrane modules comprising at least one membrane unit, where the membrane unit has a dense mixed conducting oxide layer, and at least one conduit or manifold wherein the conduit or manifold comprises a dense layer and at least one of a porous layer and a slotted layer contiguous with the dense layer. The solid-state membrane modules may be used to carry out a variety of processes including the separating of any ionizable component from a feedstream wherein such ionizable component is capable of being transported through a dense mixed conducting oxide layer of the membrane units making up the membrane modules. For ease of construction, the membrane units may be planar.

  11. Tautomerism of 4-hydroxy-2,5-dimethyl-3(2H)-furanone: evidence for its enantioselective biosynthesis.

    Science.gov (United States)

    Raab, Thomas; Hauck, Tobias; Knecht, Anja; Schmitt, Ulrich; Holzgrabe, Ulrike; Schwab, Wilfried

    2003-08-01

    Chiral natural flavor compounds exhibit characteristic enantiomeric excesses due to stereoselective, enzymatically catalyzed reactions during biogenesis. Although the enzymatic formation of the strawberry key flavor compound 4-hydroxy-2,5-dimethyl-3(2H)-furanone (HDMF; Furaneol(R)) is anticipated, the naturally occurring compound is racemic. As racemization due to keto-enol-tautomerism of HDMF could account for this observation, HDMF was investigated by (1)H-NMR spectroscopy tracing the exchange of the proton bound to the furanone-ring at C2 with deuteron from the medium (D(2)O). In addition, the racemization rate of HDMF was directly determined by cyclodextrin-modified capillary electrophoresis of enantiomerically enriched HDMF stored at different pH values. Tautomerism and the racemization rate of HDMF was lowest at pH values between 4 and 5. However, tautomerism and thus racemization was catalyzed under stronger acidic conditions (pH 2) and especially at pH values greater than 7, the value published for plant cell cytosol. Approximately 50% of the protons at C2 were exchanged with deuteron within 1 h at pH 7.2. Therefore, in order to demonstrate the enzymatic formation of HDMF, incubation experiments with Zygosaccharomyces rouxii as well as strawberry protein extract were carried out under slightly acidic conditions (pH 5), the most suitable pH value for studies on the enantiomeric ratio of HDMF. In both experiments the formation of enantiomerically enriched HDMF could be demonstrated for the first time, whereas incubation experiments under neutral conditions resulted in the detection of racemic HDMF. Copyright 2003 Wiley-Liss, Inc.

  12. Solid-state molecular organometallic chemistry. Single-crystal to single-crystal reactivity and catalysis with light hydrocarbon substrates.

    Science.gov (United States)

    Chadwick, F Mark; McKay, Alasdair I; Martinez-Martinez, Antonio J; Rees, Nicholas H; Krämer, Tobias; Macgregor, Stuart A; Weller, Andrew S

    2017-08-01

    Single-crystal to single-crystal solid/gas reactivity and catalysis starting from the precursor sigma-alkane complex [Rh(Cy 2 PCH 2 CH 2 PCy 2 )(η 2 η 2 -NBA)][BAr F 4 ] (NBA = norbornane; Ar F = 3,5-(CF 3 ) 2 C 6 H 3 ) is reported. By adding ethene, propene and 1-butene to this precursor in solid/gas reactions the resulting alkene complexes [Rh(Cy 2 PCH 2 CH 2 PCy 2 )(alkene) x ][BAr F 4 ] are formed. The ethene ( x = 2) complex, [Rh(Cy 2 PCH 2 CH 2 PCy 2 )(ethene) 2 ][BAr F 4 ]-Oct , has been characterized in the solid-state (single-crystal X-ray diffraction) and by solution and solid-state NMR spectroscopy. Rapid, low temperature recrystallization using solution methods results in a different crystalline modification, [Rh(Cy 2 PCH 2 CH 2 PCy 2 )(ethene) 2 ][BAr F 4 ]-Hex , that has a hexagonal microporous structure ( P 6 3 22). The propene complex ( x = 1) [Rh(Cy 2 PCH 2 CH 2 PCy 2 )(propene)][BAr F 4 ] is characterized as having a π-bound alkene with a supporting γ-agostic Rh···H 3 C interaction at low temperature by single-crystal X-ray diffraction, variable temperature solution and solid-state NMR spectroscopy, as well as periodic density functional theory (DFT) calculations. A fluxional process occurs in both the solid-state and solution that is proposed to proceed via a tautomeric allyl-hydride. Gas/solid catalytic isomerization of d 3 -propene, H 2 C 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 1111111111111111111111111111111111 1111111111111111111111111111111111

  13. Oriented solid-state NMR spectrosocpy

    DEFF Research Database (Denmark)

    Bertelsen, Kresten

    This thesis is concerned with driving forward oriented solid-state NMR spectroscopy as a viable technique for studying peptides in membrane bilayers. I will show that structural heterogeneity is an intrinsic part of the peptide/lipid system and that NMR can be used to characterize static...... and dynamic structural features of the peptides and its local surroundings. In fact one need to take into account the dynamical features of the system in order to correctly predict the structure from oriented solid-state NMR spectra.      ...

  14. Solid State Lighting Reliability Components to Systems

    CERN Document Server

    Fan, XJ

    2013-01-01

    Solid State Lighting Reliability: Components to Systems begins with an explanation of the major benefits of solid state lighting (SSL) when compared to conventional lighting systems including but not limited to long useful lifetimes of 50,000 (or more) hours and high efficacy. When designing effective devices that take advantage of SSL capabilities the reliability of internal components (optics, drive electronics, controls, thermal design) take on critical importance. As such a detailed discussion of reliability from performance at the device level to sub components is included as well as the integrated systems of SSL modules, lamps and luminaires including various failure modes, reliability testing and reliability performance. This book also: Covers the essential reliability theories and practices for current and future development of Solid State Lighting components and systems Provides a systematic overview for not only the state-of-the-art, but also future roadmap and perspectives of Solid State Lighting r...

  15. Solid state multinuclear NMR. A versatile tool for studying the reactivity of solid systems

    Energy Technology Data Exchange (ETDEWEB)

    MacKenzie, Kenneth J.D. [MacDiarmid Institute for Advanced Materials and Nanotechnology, Victoria University of Wellington, P.O. Box 600, Wellington (New Zealand)

    2004-08-31

    Traditionally, X-ray powder diffraction has been a favoured method for studying chemical reactions in the solid state, but the increasing importance of energy-efficient synthesis methods for solids (e.g. sol-gel synthesis, mechanochemical synthesis) has led to the need for an analytical method not dependent on long-range structural periodicity. Multinuclear solid state nuclear magnetic resonance (NMR) represents a technique which is equally applicable to amorphous or crystalline solids, and is now used in increasing numbers of solid state studies.This paper briefly outlines the principles and practical details of this powerful technique and gives examples of its use in solid-state chemistry, particularly in very recent studies of mechanochemical synthesis of advanced sialon ceramics. The temperature at which these technically important silicon aluminium oxynitride compounds are formed can be significantly lowered by high-energy grinding of their components to produce X-ray amorphous precursors. Solid-state NMR has been used to provide detailed information which could not have been obtained by any other means about the chemical environment of the Si and Al atoms in these amorphous precursors, and the various atomic movements undergone as they crystallise to the final product.

  16. Chemicals from Biomass: Combining Ring-Opening Tautomerization and Hydrogenation Reactions to Produce 1,5-Pentanediol from Furfural.

    Science.gov (United States)

    Brentzel, Zachary J; Barnett, Kevin J; Huang, Kefeng; Maravelias, Christos T; Dumesic, James A; Huber, George W

    2017-04-10

    A process for the synthesis of 1,5-pentanediol (1,5-PD) with 84 % yield from furfural is developed, utilizing dehydration/hydration, ring-opening tautomerization, and hydrogenation reactions. Although this process has more reaction steps than the traditional direct hydrogenolysis of tetrahydrofurfuryl alcohol (THFA), techno-economic analyses demonstrate that this process is the economically preferred route for the synthesis of biorenewable 1,5-PD. 2-Hydroxytetrahydropyran (2-HY-THP) is the key reaction pathway intermediate that allows for a decrease in the minimum selling price of 1,5-PD. The reactivity of 2-HY-THP is 80 times greater than that of THFA over a bimetallic hydrogenolysis catalyst. This enhanced reactivity is a result of the ring-opening tautomerization to 5-hydoxyvaleraldehyde and subsequent hydrogenation to 1,5-PD. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Solid state ionics: a Japan perspective

    Science.gov (United States)

    Yamamoto, Osamu

    2017-12-01

    The 70-year history of scientific endeavor of solid state ionics research in Japan is reviewed to show the contribution of Japanese scientists to the basic science of solid state ionics and its applications. The term 'solid state ionics' was defined by Takehiko Takahashi of Nagoya University, Japan: it refers to ions in solids, especially solids that exhibit high ionic conductivity at a fairly low temperature below their melting points. During the last few decades of exploration, many ion conducting solids have been discovered in Japan such as the copper-ion conductor Rb4Cu16I7Cl13, proton conductor SrCe1-xYxO3, oxide-ion conductor La0.9Sr0.9Ga0.9Mg0.1O3, and lithium-ion conductor Li10GeP2S12. Rb4Cu16I7Cl13 has a conductivity of 0.33 S cm-1 at 25 °C, which is the highest of all room temperature ion conductive solid electrolytes reported to date, and Li10GeP2S12 has a conductivity of 0.012 S cm-1 at 25 °C, which is the highest among lithium-ion conductors reported to date. Research on high-temperature proton conducting ceramics began in Japan. The history, the discovery of novel ionic conductors and the story behind them are summarized along with basic science and technology.

  18. Introduction to solid state electronics

    CERN Document Server

    Wang, FFY

    1989-01-01

    This textbook is specifically tailored for undergraduate engineering courses offered in the junior year, providing a thorough understanding of solid state electronics without relying on the prerequisites of quantum mechanics. In contrast to most solid state electronics texts currently available, with their generalized treatments of the same topics, this is the first text to focus exclusively and in meaningful detail on introductory material. The original text has already been in use for 10 years. In this new edition, additional problems have been added at the end of most chapters. These proble

  19. Solid state physics an introduction

    CERN Document Server

    Hofmann, Philip

    2015-01-01

    A must-have textbook for any undergraduate studying solid state physics. This successful brief course in solid state physics is now in its second edition. The clear and concise introduction not only describes all the basic phenomena and concepts, but also such advanced issues as magnetism and superconductivity. Each section starts with a gentle introduction, covering basic principles, progressing to a more advanced level in order to present a comprehensive overview of the subject. The book is providing qualitative discussions that help undergraduates understand concepts even if they can?t foll

  20. Ultrasonic methods in solid state physics

    CERN Document Server

    Truell, John; Elbaum, Charles

    1969-01-01

    Ultrasonic Methods in Solid State Physics is devoted to studies of energy loss and velocity of ultrasonic waves which have a bearing on present-day problems in solid-state physics. The discussion is particularly concerned with the type of investigation that can be carried out in the megacycle range of frequencies from a few megacycles to kilomegacycles; it deals almost entirely with short-duration pulse methods rather than with standing-wave methods. The book opens with a chapter on a classical treatment of wave propagation in solids. This is followed by separate chapters on methods and techni

  1. Tautomerism provides a molecular explanation for the mutagenic properties of the anti-HIV nucleoside 5-aza-5,6-dihydro-2′-deoxycytidine

    Science.gov (United States)

    Li, Deyu; Fedeles, Bogdan I.; Singh, Vipender; Peng, Chunte Sam; Silvestre, Katherine J.; Simi, Allison K.; Simpson, Jeffrey H.; Tokmakoff, Andrei; Essigmann, John M.

    2014-01-01

    Viral lethal mutagenesis is a strategy whereby the innate immune system or mutagenic pool nucleotides increase the error rate of viral replication above the error catastrophe limit. Lethal mutagenesis has been proposed as a mechanism for several antiviral compounds, including the drug candidate 5-aza-5,6-dihydro-2′-deoxycytidine (KP1212), which causes A-to-G and G-to-A mutations in the HIV genome, both in tissue culture and in HIV positive patients undergoing KP1212 monotherapy. This work explored the molecular mechanism(s) underlying the mutagenicity of KP1212, and specifically whether tautomerism, a previously proposed hypothesis, could explain the biological consequences of this nucleoside analog. Establishing tautomerism of nucleic acid bases under physiological conditions has been challenging because of the lack of sensitive methods. This study investigated tautomerism using an array of spectroscopic, theoretical, and chemical biology approaches. Variable temperature NMR and 2D infrared spectroscopic methods demonstrated that KP1212 existed as a broad ensemble of interconverting tautomers, among which enolic forms dominated. The mutagenic properties of KP1212 were determined empirically by in vitro and in vivo replication of a single-stranded vector containing a single KP1212. It was found that KP1212 paired with both A (10%) and G (90%), which is in accord with clinical observations. Moreover, this mutation frequency is sufficient for pushing a viral population over its error catastrophe limit, as observed before in cell culture studies. Finally, a model is proposed that correlates the mutagenicity of KP1212 with its tautomeric distribution in solution. PMID:25071207

  2. Silicon solid state devices and radiation detection

    CERN Document Server

    Leroy, Claude

    2012-01-01

    This book addresses the fundamental principles of interaction between radiation and matter, the principles of working and the operation of particle detectors based on silicon solid state devices. It covers a broad scope with respect to the fields of application of radiation detectors based on silicon solid state devices from low to high energy physics experiments including in outer space and in the medical environment. This book covers stateof- the-art detection techniques in the use of radiation detectors based on silicon solid state devices and their readout electronics, including the latest developments on pixelated silicon radiation detector and their application.

  3. Solid state laser technology - A NASA perspective

    Science.gov (United States)

    Allario, F.

    1985-01-01

    NASA's program for developing solid-state laser technology and applying it to the Space Shuttle and Space Platform is discussed. Solid-state lasers are required to fulfill the Earth Observation System's requirements. The role of the Office of Aeronautics and Space Technology in developing a NASA tunable solid-state laser program is described. The major goals of the program involve developing a solid-state pump laser in the green, using AlGaAs array technology, pumping a Nd:YAG/SLAB crystal or glass, and fabricating a lidar system, with either a CO2 laser at 10.6 microns or a Nd:YAG laser at 1.06 microns, to measure tropospheric winds to an accuracy of + or - 1 m/s and a vertical resolution of 1 km. The procedures to be followed in order to visualize this technology plan include: (1) material development and characterization, (2) laser development, and (3) implementation of the lasers.

  4. Solid state track detectors

    International Nuclear Information System (INIS)

    Reuther, H.

    1976-11-01

    This paper gives a survey of the present state of the development and the application of solid state track detectors. The fundamentals of the physical and chemical processes of the track formation and development are explained, the different detector materials and their registration characteristics are mentioned, the possibilities of the experimental practice and the most variable applications are discussed. (author)

  5. Monolithic solid-state lasers for spaceflight

    Science.gov (United States)

    Krainak, Michael A.; Yu, Anthony W.; Stephen, Mark A.; Merritt, Scott; Glebov, Leonid; Glebova, Larissa; Ryasnyanskiy, Aleksandr; Smirnov, Vadim; Mu, Xiaodong; Meissner, Stephanie; Meissner, Helmuth

    2015-02-01

    A new solution for building high power, solid state lasers for space flight is to fabricate the whole laser resonator in a single (monolithic) structure or alternatively to build a contiguous diffusion bonded or welded structure. Monolithic lasers provide numerous advantages for space flight solid-state lasers by minimizing misalignment concerns. The closed cavity is immune to contamination. The number of components is minimized thus increasing reliability. Bragg mirrors serve as the high reflector and output coupler thus minimizing optical coatings and coating damage. The Bragg mirrors also provide spectral and spatial mode selection for high fidelity. The monolithic structure allows short cavities resulting in short pulses. Passive saturable absorber Q-switches provide a soft aperture for spatial mode filtering and improved pointing stability. We will review our recent commercial and in-house developments toward fully monolithic solid-state lasers.

  6. Conformer-Specific IR Spectroscopy of Laser-Desorbed Sulfonamide Drugs: Tautomeric and Conformational Preferences of Sulfanilamide and its Derivatives

    Science.gov (United States)

    Uhlemann, Thomas; Seidel, Sebastian; Müller, Christian W.

    2017-06-01

    Molecules containing the sulfonamide group R^{1}-SO_2-NHR^{2} have a longstanding history as antimicrobial agents. Even though nowadays they are not commonly used in treating humans anymore, they continue to be studied as effective inhibitors of metalloenzyme carbonic anhydrases. These enzymes are important targets for a variety of diseases, such as, for instance, breast cancer, glaucoma, and obesity. Here we present the results of our laser desorption single-conformation UV and IR study of sulfanilamide (NH_2Ph-SO_2-NHR, R=H), a variety of singly substituted derivatives, and their monohydrated complexes. Depending on the substituent, the sulfonamide group can either adopt an amino or an imino tautomeric form. The form prevalent in the crystal is not necessarily also the tautomeric form we identified in the molecular beam after laser desorbing the sample. Furthermore, we explored the effect of complexation with a single water molecule on the tautomeric and conformational preferences of the sulfonamides. Our conformer-specific IR spectra in the NH and OH stretch region (3200-3750 \\wn) suggest that the intra- and intermolecular interactions governing the structures of the monomers and water complexes are surprisingly diverse. We have undertaken both Quantum Theory of Atoms in Molecules (QTAIM) and Interacting Quantum Atoms (IQA) analyses of calculated electron densities to quantitatively characterize the nature and strengths of the intra- and intermolecular interactions prevalent in the monomer and water complex structures.

  7. Solid state physics

    CERN Document Server

    Grosso, Giuseppe

    2013-01-01

    Solid State Physics is a textbook for students of physics, material science, chemistry, and engineering. It is the state-of-the-art presentation of the theoretical foundations and application of the quantum structure of matter and materials. This second edition provides timely coverage of the most important scientific breakthroughs of the last decade (especially in low-dimensional systems and quantum transport). It helps build readers' understanding of the newest advances in condensed matter physics with rigorous yet clear mathematics. Examples are an integral part of the text, carefully de

  8. SOLID-STATE STORAGE DEVICE FLASH TRANSLATION LAYER

    DEFF Research Database (Denmark)

    2017-01-01

    Embodiments of the present invention include a method for storing a data page d on a solid-state storage device, wherein the solid-state storage device is configured to maintain a mapping table in a Log-Structure Merge (LSM) tree having a C0 component which is a random access memory (RAM) device...

  9. optimisation of solid optimisation of solid state fermentation

    African Journals Online (AJOL)

    eobe

    from banana peels via solid state fermentation using Aspergillus niger. ermentation ... [7,8], apple pomace [9], banana peels [4], date palm. [10], carob ... powder, jams, juice, bar, biscuits, wine etc results in ... Yeast extract was taken as nitrogen.

  10. Solid state electrolytes for all-solid-state 3D lithium-ion batteries

    NARCIS (Netherlands)

    Kokal, I.

    2012-01-01

    The focus of this Ph.D. thesis is to understand the lithium ion motion and to enhance the Li-ionic conductivities in commonly known solid state lithium ion conductors by changing the structural properties and preparation methods. In addition, the feasibility for practical utilization of several

  11. Passivation-free solid state battery

    Science.gov (United States)

    Abraham, Kuzhikalail M.; Peramunage, Dharmasena

    1998-01-01

    This invention pertains to passivation-free solid-state rechargeable batteries composed of Li.sub.4 Ti.sub.5 O.sub.12 anode, a solid polymer electrolyte and a high voltage cathode. The solid polymer electrolyte comprises a polymer host, such as polyacrylonitrile, poly(vinyl chloride), poly(vinyl sulfone), and poly(vinylidene fluoride), plasticized by a solution of a Li salt in an organic solvent. The high voltage cathode includes LiMn.sub.2 O.sub.4, LiCoO.sub.2, LiNiO.sub.2 and LiV.sub.2 O.sub.5 and their derivatives.

  12. The Oxford solid state basics

    CERN Document Server

    Simon, Steven H

    2013-01-01

    The study of solids is one of the richest, most exciting, and most successful branches of physics. While the subject of solid state physics is often viewed as dry and tedious this new book presents the topic instead as an exciting exposition of fundamental principles and great intellectual breakthroughs. Beginning with a discussion of how the study of heat capacity of solids ushered in the quantum revolution, the author presents the key ideas of the field while emphasizing the deepunderlying concepts. The book begins with a discussion of the Einstein/Debye model of specific heat, and the Drude

  13. Theoretical Kinetic Study of the Unimolecular and H-Assisted Keto-Enol Tautomerism Propen-2-ol ↔Acetone. Pressure Effects and Implications in the Pyrolysis and Oxidation of tert- And 2-Butanol

    KAUST Repository

    Grajales Gonzalez, Edwing Javier

    2018-05-01

    The need for renewable and cleaner sources of energy has made biofuels an interesting alternative to fossil fuels, especially in the case of butanol isomers, with their favorable blend properties and low hygroscopicity. Although C4 alcohols are prospective fuels, some key reactions governing their pyrolysis and combustion have not been adequately studied, leading to incomplete kinetic models. Butanol reactions kinetics is poorly understood. Specifically, the unimolecular and H-assisted tautomerism of propen-2-ol to acetone, which are included in butanol combustion kinetic models, are assigned rate parameters based on the analogous unimolecular tautomerism vinyl alcohol ↔ acetaldehyde and H addition to the double bound of iso-butene, respectively. In an attempt to update current kinetic models for tert- and 2-butanol, a theoretical kinetic study of the unimolecular and H-assisted tautomerism, i-C3H5OH⟺CH3COCH3 and i-C3H5OH+Ḣ⟺CH3COCH3+Ḣ, was carried out by means of CCSD(T,FULL)/aug-cc-pVTZ//CCSD(T)/6-31+G(d,p) and CCSD(T)/aug-cc-pVTZ//M062X/cc-pVTZ ab initio calculations, respectively. For H-assisted tautomerism, the reaction takes place in two consecutive steps: i-C3H5OH+Ḣ⟺CH3ĊOHCH3 and CH3ĊOHCH3⟺CH3COCH3+Ḣ. Multistructural torsional anharmonicity and variational transition state theory were considered in a wide temperature and pressure range (200 K – 3000 K, 0.1 kPa – 108 kPa). It was observed that decreasing pressure leads to a decrease in rate constants, describing the expected falloff behavior for both isomerizations. Results for unimolecular tautomerism differ from vinyl alcohol ↔ acetaldehyde analogue reactions, which shows lower rate constant values. Tunneling turned out to be important, especially at low temperatures. Accordingly, pyrolysis simulations in a batch reactor for tert- and 2-butanol with computed unimolecular rate constants showed important differences in comparison with previous results, such as larger acetone yield and

  14. Electronic structure tautomerism, and mechanism of H-D exchange in imidazole aqueous solutions

    International Nuclear Information System (INIS)

    Borisov, Yu.A.; Vorob'eva, N.P.; Abronin, I.A.; Kolomiets, A.F.

    1988-01-01

    The imidazole electronic structure in a gaseous phase is studied taking into account the influence of solvation effects in aqueous solutions. Possible mechanisms of tautomeric transformations and H-D exchange reactions with water molecules are discussed. Using the quantum chemistry methods, it is shown that the intramolecular mechanism of imidazole isomerization in the gaseous phase and the aqueous solution is unprofitable, and the intermolecular mechanism can proceed through the stage of protonated and carbene form formation

  15. Solid-state ring laser gyroscope

    Science.gov (United States)

    Schwartz, S.

    The ring laser gyroscope is a rotation sensor used in most kinds of inertial navigation units. It usually consists in a ring cavity filled with a mixture of helium and neon, together with high-voltage pumping electrodes. The use of a gaseous gain medium, while resulting naturally in a stable bidirectional regime enabling rotation sensing, is however the main industrially limiting factor for the ring laser gyroscopes in terms of cost, reliability and lifetime. We study in this book the possibility of substituting for the gaseous gain medium a solid-state medium (diode-pumped Nd-YAG). For this, a theoretical and experimental overview of the lasing regimes of the solid-state ring laser is reported. We show that the bidirectional emission can be obtained thanks to a feedback loop acting on the states of polarization and inducing differential losses proportional to the difference of intensity between the counterpropagating modes. This leads to the achievement of a solid-state ring laser gyroscope, whose frequency response is modified by mode coupling effects. Several configurations, either mechanically or optically based, are then successively studied, with a view to improving the quality of this frequency response. In particular, vibration of the gain crystal along the longitudinal axis appears to be a very promising technique for reaching high inertial performances with a solid-state ring laser gyroscope. Gyrolaser à état solide. Le gyrolaser est un capteur de rotation utilisé dans la plupart des centrales de navigation inertielle. Dans sa forme usuelle, il est constitué d'une cavité laser en anneau remplie d'un mélange d'hélium et de néon pompé par des électrodes à haute tension. L'utilisation d'un milieu amplificateur gazeux, si elle permet de garantir naturellement le fonctionnement bidirectionnel stable nécessaire à la mesure des rotations, constitue en revanche la principale limitation industrielle des gyrolasers actuels en termes de coût, fiabilit

  16. Modeling Chemical Reactions by QM/MM Calculations: The Case of the Tautomerization in Fireflies Bioluminescent Systems.

    Science.gov (United States)

    Berraud-Pache, Romain; Garcia-Iriepa, Cristina; Navizet, Isabelle

    2018-01-01

    In less than half a century, the hybrid QM/MM method has become one of the most used technique to model molecules embedded in a complex environment. A well-known application of the QM/MM method is for biological systems. Nowadays, one can understand how enzymatic reactions work or compute spectroscopic properties, like the wavelength of emission. Here, we have tackled the issue of modeling chemical reactions inside proteins. We have studied a bioluminescent system, fireflies, and deciphered if a keto-enol tautomerization is possible inside the protein. The two tautomers are candidates to be the emissive molecule of the bioluminescence but no outcome has been reached. One hypothesis is to consider a possible keto-enol tautomerization to treat this issue, as it has been already observed in water. A joint approach combining extensive MD simulations as well as computation of key intermediates like TS using QM/MM calculations is presented in this publication. We also emphasize the procedure and difficulties met during this approach in order to give a guide for this kind of chemical reactions using QM/MM methods.

  17. Modelling chemical reactions by QM/MM calculations: the case of the tautomerization in fireflies bioluminescent systems

    Science.gov (United States)

    Berraud-Pache, Romain; Garcia-Iriepa, Cristina; Navizet, Isabelle

    2018-04-01

    In less than half a century, the hybrid QM/MM method has become one of the most used technique to model molecules embedded in a complex environment. A well-known application of the QM/MM method is for biological systems. Nowadays, one can understand how enzymatic reactions work or compute spectroscopic properties, like the wavelength of emission. Here, we have tackled the issue of modelling chemical reactions inside proteins. We have studied a bioluminescent system, fireflies, and deciphered if a keto-enol tautomerization is possible inside the protein. The two tautomers are candidates to be the emissive molecule of the bioluminescence but no outcome has been reached. One hypothesis is to consider a possible keto-enol tautomerization to treat this issue, as it has been already observed in water. A joint approach combining extensive MD simulations as well as computation of key intermediates like TS using QM/MM calculations is presented in this publication. We also emphasize the procedure and difficulties met during this approach in order to give a guide for this kind of chemical reactions using QM/MM methods.

  18. Achievement of solid-state plasma fusion ('Cold-Fusion')

    International Nuclear Information System (INIS)

    Arata, Yoshiaki; Zhang, Yue-Chang

    1995-01-01

    Using a 'QMS' (Quadrupole Mass Spectrometer), the authors detected a significantly large amount (10 20 -10 21 [cm -3 ]) of helium ( 2 4 He), which was concluded to have been produced by a deuterium nuclear reaction within a host solid. These results were found to be fully repeatable and supported the authors' proposition that solid state plasma fusion ('Cold Fusion') can be generated in energetic deuterium Strongly Coupled Plasma ('SC-plasma'). This fusion reaction is thought to be sustained by localized 'Latticequake' in a solid-state media with the deuterium density equivalent to that of the host solid. While exploring this basic proposition, the characteristic differences when compared with ultra high temperature-state plasma fusion ('Hot Fusion') are clarified. In general, the most essential reaction product in both types of the deuterium plasma fusion is considered to be helium, irrespective of the 'well-known and/or unknown reactions', which is stored within the solid-state medium in abundance as a 'Residual Product', but which generally can not enter into nor be released from host-solid at a room temperature. Even measuring instruments with relatively poor sensitivity should be able to easily detect such residual helium. An absence of residual helium means that no nuclear fusion reaction has occurred, whereas its presence provides crucial evidence that nuclear fusion has, in fact, occurred in the solid. (author)

  19. Solid state nuclear track detection principles, methods and applications

    CERN Document Server

    Durrani, S A; ter Haar, D

    1987-01-01

    Solid State Nuclear Track Detection: Principles, Methods and Applications is the second book written by the authors after Nuclear Tracks in Solids: Principles and Applications. The book is meant as an introduction to the subject solid state of nuclear track detection. The text covers the interactions of charged particles with matter; the nature of the charged-particle track; the methodology and geometry of track etching; thermal fading of latent damage trails on tracks; the use of dielectric track recorders in particle identification; radiation dossimetry; and solid state nuclear track detecti

  20. An introduction to solid state diffusion

    CERN Document Server

    Borg, Richard J

    2012-01-01

    The energetics and mechanisms of diffusion control the kinetics of such diverse phenomena as the fabrication of semiconductors and superconductors, the tempering of steel, geological metamorphism, the precipitation hardening of nonferrous alloys and corrosion of metals and alloys. This work explains the fundamentals of diffusion in the solid state at a level suitable for upper-level undergraduate and beginning graduate students in materials science, metallurgy, mineralogy, and solid state physics and chemistry. A knowledge of physical chemistry such as is generally provided by a one-year under

  1. 3D-Printing Electrolytes for Solid-State Batteries.

    Science.gov (United States)

    McOwen, Dennis W; Xu, Shaomao; Gong, Yunhui; Wen, Yang; Godbey, Griffin L; Gritton, Jack E; Hamann, Tanner R; Dai, Jiaqi; Hitz, Gregory T; Hu, Liangbing; Wachsman, Eric D

    2018-05-01

    Solid-state batteries have many enticing advantages in terms of safety and stability, but the solid electrolytes upon which these batteries are based typically lead to high cell resistance. Both components of the resistance (interfacial, due to poor contact with electrolytes, and bulk, due to a thick electrolyte) are a result of the rudimentary manufacturing capabilities that exist for solid-state electrolytes. In general, solid electrolytes are studied as flat pellets with planar interfaces, which minimizes interfacial contact area. Here, multiple ink formulations are developed that enable 3D printing of unique solid electrolyte microstructures with varying properties. These inks are used to 3D-print a variety of patterns, which are then sintered to reveal thin, nonplanar, intricate architectures composed only of Li 7 La 3 Zr 2 O 12 solid electrolyte. Using these 3D-printing ink formulations to further study and optimize electrolyte structure could lead to solid-state batteries with dramatically lower full cell resistance and higher energy and power density. In addition, the reported ink compositions could be used as a model recipe for other solid electrolyte or ceramic inks, perhaps enabling 3D printing in related fields. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Investigation of tautomeric transformations of adducts of 7,8-dicarba-nido-undecaborana(11) with derivatives of pyridine by 11B NMR spectroscopy method

    International Nuclear Information System (INIS)

    Volkov, O.V.; Il'inchik, E.A.; Volkov, V.V.

    1999-01-01

    Tautomeric transformations are investigated in solutions of o-carborane(12) derivatives 7,8-C 2 B 9 H 11 ·Py(X), where Py(X)=4-picoline (4-CH 3 -C 5 H 4 N), 3-picoline (3-CH 3 -C 5 H 4 N), 4-stilbazol (4-C 6 H 5 -C 2 H 2 -C 5 H 4 N), 3-bromopyridine (3-Br-C 5 H 4 N) and 7,8-C 2 B 9 H 10 I·C 5 H 5 N. Uncovered tautomeric transformations are bound with migration of bridge hydrogen of C 2 B 9 H 11 cluster assisting in structure of these compounds. Signal of boron nuclei in 11 B NMR spectra is observed in the region of high field of spectrum if the nearest two atoms of boron are bounded by bridge hydrogen additionally. That permits to fix happening dynamic structural transformations of adducts investigated. The dependence of tautomeric equilibrium on nature of substituents introduced in heterocyclic ligand and carborane cluster. Increase of electron-acceptor properties of substituent induces displacement of equilibrium in the direction of tautomer bridge hydrogen in which is removed from boron atom bounded with substituent [ru

  3. Tautomerism and isomerism in some antitrichinellosis active benzimidazoles: Morphological study in polarized light, quantum chemical computations

    Science.gov (United States)

    Anichina, Kameliya; Mavrova, Anelia; Yancheva, Denitsa; Tsenov, Jordan; Dimitrov, Rasho

    2017-12-01

    The morphology of the crystal structure of some antitrichinellosis active benzimidazole derivatives including (1H-benzimidazol-2-ylthio)acetic acids, [1,3]thiazolo[3,2-a]benzimidazol-3(2H)-ones, 1H-benzimidazol-2-ylthioacetylpiperazines and starting 2-mercapto benzimidazoles, was studied by the use of Polarized Light Microscopy (PLM). Characterization of the crystal phase was complimented by Differential scanning calorimetry analysis (DSC) and spectroscopic data. DFT computations were performed in order to investigate the prototropic tautomerism and the geometry of the molecule of the synthesized compounds. One distinct type of crystal structure for each one of 5 or 6-methyl-(1H-benzimidazol-2-ylthio)acetic acid 6 was observed by PLM - dendritic and needle-shaped formations. Compound 14, containing a methyl substituent in the benzimidazole ring crystallized also into two phases; while for the unsubstituted compound 13 a separation of phases does not take place. The influence of the both solvents - chloroform and ethanol on the phase separation and the formation of the crystalline structure of compound 14 was investigated. The morphological study showed that the cyclization of 6 in the presence of acetic anhydride in pyridine medium led to a mixture of 6-methyl-[1,3]tiazolo[3,2-a]benzimidazol-3(2H)-one (10a) and 7-methyl-[1,3]thiazolo[3,2-a]-benzimidazole-3(2H)-one (10b), which crystallized in the form of fibrils and spherulites respectively. It was found that a difference in the crystal structures of substituted and unsubstituted benzimidazol-2-thiones, respectively benzimidazol-2-thiol derivatives exists, which may be due not only to the thiol-thione tautomerism but to the prototropic properties of the hydrogen atom in first position of the ring. The calculation results indicated that the thione form is more stable than the thiol tautomer by 51-55 kJ mol-1. But at the same time ΔG for the two thiol tautomers is below 0.5 kJ mol-1. In solid phase the 5

  4. A zwitterionic gel electrolyte for efficient solid-state supercapacitors

    Science.gov (United States)

    Peng, Xu; Liu, Huili; Yin, Qin; Wu, Junchi; Chen, Pengzuo; Zhang, Guangzhao; Liu, Guangming; Wu, Changzheng; Xie, Yi

    2016-01-01

    Gel electrolytes have attracted increasing attention for solid-state supercapacitors. An ideal gel electrolyte usually requires a combination of advantages of high ion migration rate, reasonable mechanical strength and robust water retention ability at the solid state for ensuring excellent work durability. Here we report a zwitterionic gel electrolyte that successfully brings the synergic advantages of robust water retention ability and ion migration channels, manifesting in superior electrochemical performance. When applying the zwitterionic gel electrolyte, our graphene-based solid-state supercapacitor reaches a volume capacitance of 300.8 F cm−3 at 0.8 A cm−3 with a rate capacity of only 14.9% capacitance loss as the current density increases from 0.8 to 20 A cm−3, representing the best value among the previously reported graphene-based solid-state supercapacitors, to the best of our knowledge. We anticipate that zwitterionic gel electrolyte may be developed as a gel electrolyte in solid-state supercapacitors. PMID:27225484

  5. Theoretical study on the molecular tautomerism of the 3-hydroxy-pyridin-4-one system

    Science.gov (United States)

    Zborowski, Krzysztof K.; Mohammadpour, Mehrdad; Sadeghi, Amir; Proniewicz, Leonard M.

    2013-04-01

    3-hydroxy-pyridin-4-one is a parent molecule for the family of hydroxypyridinones that are known in coordination chemistry as efficient metal ions chelators. In this work, relative stabilities of some possible tautomers were investigated using several quantum chemical methods: CBS (complete basis set methods), Gn, DFT (density functional theory), Hartree-Fock and MP2. Performed calculations show that the system under consideration exists as a mixture of two tautomers with comparable energies. Among them, the hydroxypyridinone structure of the studied molecular system seems to be a bit more stable than the o-dihydroxypyridine one, by a few kJ/mol only. Aromaticity and intra-molecular hydrogen bonding are the main effects influencing the stability of the studied tautomeric structures. Consequently, aromatic effects were calculated using several indices of aromaticity: HOMA (harmonic oscillator model of aromaticity), NICS (nucleus independent chemical shift), H, PDI (para delocalisation index), MCI (multi-centre index) and ASE (aromatic stabilisation energy). The strength of possible intra-molecular hydrogen bonds (H-bonds) was determined by means of the AIM (atoms-in-molecules) method and by calculating enthalpies for theoretical reactions that do or do not involve H-bonds. The AIM method was employed to understand how variations in atomic energies influence the stability of different tautomeric structures.

  6. Time-resolved spectroscopic characterization of photo-induced valence tautomerism for a cobalt dioxolene complex

    Science.gov (United States)

    Gentili, Pier Luigi; Bussotti, Laura; Righini, Roberto; Beni, Alessandra; Bogani, Lapo; Dei, Andrea

    2005-07-01

    The valence tautomerism of low-spin Co III(Cat-N-BQ)(Cat-N-SQ) (where Cat-N-BQ is 2-(2-hydroxy-3,5-di- tert-butylphenylimino)-4,6-di- tert-butylcyclohexa-3,5-dienone and Cat-N-SQ is the dianionic radical analogue) was investigated by means of UV-vis pump-probe transient absorption spectroscopy and 1H NMR technique in chloroform and dichloromethane. By exciting the CT transition of the complex at 480 nm, an intramolecular electron transfer process is selectively triggered. The photo-induced charge transfer is pursued by a cascade of two main molecular events characterized by the ultrafast transient absorption spectroscopy: the first gives rise to the metastable high-spin Co II(Cat-N-BQ) 2 that, secondly, reaches the chemical equilibrium with the reactant species. The rate constant of back valence tautomerization estimated by measuring the lifetime of high-spin Co II(Cat-N-BQ) 2 species and the equilibrium constant for the Co III(Cat-N-BQ)(Cat-N-SQ) ⇄ Co II(Cat-N-BQ) 2 interconversion, is significantly large (on the order of 10 9 s -1). It is interpreted under the point of view of the theory formulated by Jortner and Buhks et al. for non-adiabatic radiationless processes.

  7. Time-resolved spectroscopic characterization of photo-induced valence tautomerism for a cobalt-dioxolene complex

    International Nuclear Information System (INIS)

    Gentili, Pier Luigi; Bussotti, Laura; Righini, Roberto; Beni, Alessandra; Bogani, Lapo; Dei, Andrea

    2005-01-01

    The valence tautomerism of low-spin Co III (Cat-N-BQ)(Cat-N-SQ) (where Cat-N-BQ is 2-(2-hydroxy-3,5-di-tert-butylphenylimino)-4,6-di-tert-butylcyclohexa-3, 5-dien one and Cat-N-SQ is the dianionic radical analogue) was investigated by means of UV-vis pump-probe transient absorption spectroscopy and 1 H NMR technique in chloroform and dichloromethane. By exciting the CT transition of the complex at 480 nm, an intramolecular electron transfer process is selectively triggered. The photo-induced charge transfer is pursued by a cascade of two main molecular events characterized by the ultrafast transient absorption spectroscopy: the first gives rise to the metastable high-spin Co II (Cat-N-BQ) 2 that, secondly, reaches the chemical equilibrium with the reactant species. The rate constant of back valence tautomerization estimated by measuring the lifetime of high-spin Co II (Cat-N-BQ) 2 species and the equilibrium constant for the Co III (Cat-N-BQ)(Cat-N-SQ) Co II (Cat-N-BQ) 2 interconversion, is significantly large (on the order of 10 9 s -1 ). It is interpreted under the point of view of the theory formulated by Jortner and Buhks et al. for non-adiabatic radiationless processes

  8. Solid State Theory An Introduction

    CERN Document Server

    Rössler, Ulrich

    2009-01-01

    Solid-State Theory - An Introduction is a textbook for graduate students of physics and material sciences. It stands in the tradition of older textbooks on this subject but takes up new developments in theoretical concepts and materials which are connected with such path breaking discoveries as the Quantum-Hall Effects, the high-Tc superconductors, and the low-dimensional systems realized in solids. Thus besides providing the fundamental concepts to describe the physics of electrons and ions of which the solid consists, including their interactions and the interaction with light, the book casts a bridge to the experimental facts and opens the view into current research fields.

  9. Self-healing liquid/solid state battery

    Science.gov (United States)

    Burke, Paul J.; Chung, Brice H.V.; Phadke, Satyajit R.; Ning, Xiaohui; Sadoway, Donald R.

    2018-02-27

    A battery system that exchanges energy with an external device is provided. The battery system includes a positive electrode having a first metal or alloy, a negative electrode having a second metal or alloy, and an electrolyte including a salt of the second metal or alloy. The positive electrode, the negative electrode, and the electrolyte are in a liquid phase at an operating temperature during at least one portion of operation. The positive electrode is entirely in a liquid phase in one charged state and includes a solid phase in another charged state. The solid phase of the positive electrode includes a solid intermetallic formed by the first and the second metals or alloys. Methods of storing electrical energy from an external circuit using such a battery system are also provided.

  10. Harwell's atomic, molecular and solid state computer programs

    International Nuclear Information System (INIS)

    Harker, A.H.

    1976-02-01

    This document is intended to introduce the computational facilities available in the fields of atomic, molecular the solid state theory on the IBM370/165 at Harwell. The programs have all been implemented and thoroughly tested by the Theory of Solid State Materials Group. (author)

  11. Cross-relaxation solid state lasers

    International Nuclear Information System (INIS)

    Antipenko, B.M.

    1989-01-01

    Cross-relaxation functional diagrams provide a high quantum efficiency for pumping bands of solid state laser media and a low waste heat. A large number of the cross-relaxation mechanisms for decay rare earth excited states in crystals have been investigated. These investigations have been a starting-point for development of the cross-relaxation solid state lasers. For example, the cross-relaxation interactions, have been used for the laser action development of LiYF 4 :Gd-Tb. These interactions are important elements of the functional diagrams of the 2 μm Ho-doped media sensitized with Er and Tm and the 3 μm Er-doped media. Recently, new efficient 2 μm laser media with cross-relaxation pumping diagrams have been developed. Physical aspects of these media are the subject of this paper. A new concept of the Er-doped medium, sensitized with Yb, is illustrated

  12. Energy-saving approaches to solid state street lighting

    Science.gov (United States)

    Vitta, Pranciškus; Stanikūnas, Rytis; Tuzikas, Arūnas; Reklaitis, Ignas; Stonkus, Andrius; Petrulis, Andrius; Vaitkevičius, Henrikas; Žukauskas, Artūras

    2011-10-01

    We consider the energy-saving potential of solid-state street lighting due to improved visual performance, weather sensitive luminance control and tracking of pedestrians and vehicles. A psychophysical experiment on the measurement of reaction time with a decision making task was performed under mesopic levels of illumination provided by a highpressure sodium (HPS) lamp and different solid-state light sources, such as daylight and warm-white phosphor converted light-emitting diodes (LEDs) and red-green-blue LED clusters. The results of the experiment imply that photopic luminances of road surface provided by solid-state light sources with an optimized spectral power distribution might be up to twice as low as those provided by the HPS lamp. Dynamical correction of road luminance against road surface conditions typical of Lithuanian climate was estimated to save about 20% of energy in comparison with constant-level illumination. The estimated energy savings due to the tracking of pedestrians and vehicles amount at least 25% with the cumulative effect of intelligent control of at least 40%. A solid-state street lighting system with intelligent control was demonstrated using a 300 m long test ground consisting of 10 solid-state street luminaires, a meteorological station and microwave motion sensor network operated via power line communication.

  13. Solid-state characterization of the HIV protease inhibitor

    CERN Document Server

    Kim, Y A

    2002-01-01

    The LB71350, (3S, 4R)-Epoxy-(5S)-[[N-(1-methylethoxy) carbonyl]-3-(methylsulfonyl)-L-valinyl]amin= o]-N-[2-methyl-(1R)-[(phenyl)carbonyl]propyl-6-phenylhexanamide, is a novel HIV protease inhibitor. Its equilibrium solubility at room temperature was less than 40 mu g/mL. It was speculated that the low aqueous solubility might be due to the high crystalline lattice energy resulting from intermolecular hydrogen bonds. The present study was carried out to learn the solid-state characteristics of LB71350 using analytical methods such as NMR, FT-IR and XRD. sup 1 sup 3 C Solid-state NMR, solution NMR, and FT-IR spectra of the various solid forms of LB71350 were used to identify the conformation and structure of the solid forms. The chemical shifts of sup 1 sup 3 C solid-state NMR spectra suggest that the crystalline form might have 3 intermolecular hydrogen bondings between monomers.

  14. Integrated Interface Strategy toward Room Temperature Solid-State Lithium Batteries.

    Science.gov (United States)

    Ju, Jiangwei; Wang, Yantao; Chen, Bingbing; Ma, Jun; Dong, Shanmu; Chai, Jingchao; Qu, Hongtao; Cui, Longfei; Wu, Xiuxiu; Cui, Guanglei

    2018-04-25

    Solid-state lithium batteries have drawn wide attention to address the safety issues of power batteries. However, the development of solid-state lithium batteries is substantially limited by the poor electrochemical performances originating from the rigid interface between solid electrodes and solid-state electrolytes. In this work, a composite of poly(vinyl carbonate) and Li 10 SnP 2 S 12 solid-state electrolyte is fabricated successfully via in situ polymerization to improve the rigid interface issues. The composite electrolyte presents a considerable room temperature conductivity of 0.2 mS cm -1 , an electrochemical window exceeding 4.5 V, and a Li + transport number of 0.6. It is demonstrated that solid-state lithium metal battery of LiFe 0.2 Mn 0.8 PO 4 (LFMP)/composite electrolyte/Li can deliver a high capacity of 130 mA h g -1 with considerable capacity retention of 88% and Coulombic efficiency of exceeding 99% after 140 cycles at the rate of 0.5 C at room temperature. The superior electrochemical performance can be ascribed to the good compatibility of the composite electrolyte with Li metal and the integrated compatible interface between solid electrodes and the composite electrolyte engineered by in situ polymerization, which leads to a significant interfacial impedance decrease from 1292 to 213 Ω cm 2 in solid-state Li-Li symmetrical cells. This work provides vital reference for improving the interface compatibility for room temperature solid-state lithium batteries.

  15. Solid-state laser engineering

    CERN Document Server

    Koechner, Walter

    1992-01-01

    This book is written from an industrial perspective and provides a detailed discussion of solid-state lasers, their characteristics, design and construction. Emphasis is placed on engineering and practical considerations. The book is aimed mainly at the practicing scientist or engineer who is interested in the design or use of solid-state lasers, but the comprehensive treatment of the subject will make the work useful also to students of laser physics who seek to supplement their theoretical knowledge with engineering information. In order to present the subject as clearly as possible, phenomenological descriptions using models have been used rather than abstract mathematical descriptions. This results in a simplified presentation. The descriptions are enhanced by the inclusion of numerical and technical data, tables and graphs. This new edition has been updated and revised to take account of important new developments, concepts, and technologies that have emerged since the publication of the first and second...

  16. Solid state nuclear magnetic resonance of fossil fuels

    International Nuclear Information System (INIS)

    Axelson, D.E.

    1985-01-01

    This book contains the following chapters: Principles of solid state NMR; Relaxation processes: Introduction to pulse sequences; Quantitative analysis; Removal of artifacts from CPMAS FT experiments; Line broadening mechanisms; Resolution enhancement of solid state NMR spectra; and /sup 13/C CPMAS NMR of fossil fuels--general applications

  17. Advances in Solid State Physics

    CERN Document Server

    Haug, Rolf

    2007-01-01

    The present volume 46 of Advances in Solid State Physics contains the written versions of selected invited lectures from the spring meeting of the Arbeitskreis Festkörperphysik of the Deutsche Physikalische Gesellschaft which was held from 27 to 31 March 2006 in Dresden, Germany. Many topical talks given at the numerous symposia are included. Most of these were organized collaboratively by several of the divisions of the Arbeitskreis. The topis range from zero-dimensional physics in quantum dots, molecules and nanoparticles over one-dimensional physics in nanowires and 1d systems to more applied subjects like optoelectronics and materials science in thin films. The contributions span the whole width of solid-state physics from truly basic science to applications.

  18. Laser solid sampling for a solid-state-detector ICP emission spectrometer

    International Nuclear Information System (INIS)

    Noelte, J.; Moenke-Blankenburg, L.; Schumann, T.

    1994-01-01

    Solid sampling with laser vaporization has been coupled to an ICP emission spectrometer with an Echelle optical system and a solid-state-detector for the analysis of steel and soil samples. Pulsation of the vaporized material flow was compensated by real-time background correction and internal standardization, resulting in good accuracy and precision. (orig.)

  19. An extrapolation scheme for solid-state NMR chemical shift calculations

    Science.gov (United States)

    Nakajima, Takahito

    2017-06-01

    Conventional quantum chemical and solid-state physical approaches include several problems to accurately calculate solid-state nuclear magnetic resonance (NMR) properties. We propose a reliable computational scheme for solid-state NMR chemical shifts using an extrapolation scheme that retains the advantages of these approaches but reduces their disadvantages. Our scheme can satisfactorily yield solid-state NMR magnetic shielding constants. The estimated values have only a small dependence on the low-level density functional theory calculation with the extrapolation scheme. Thus, our approach is efficient because the rough calculation can be performed in the extrapolation scheme.

  20. Phosphate phosphors for solid-state lighting

    Energy Technology Data Exchange (ETDEWEB)

    Shinde, Kartik N. [N.S. Science and Arts College, Bhadrawati (India). Dept. of Physics; Swart, H.C. [University of the Orange Free State, Bloemfontein (South Africa). Dept. of Physics; Dhoble, S.J. [R.T.M. Nagpur Univ. (India). Dept. of Physics; Park, Kyeongsoon [Sejong Univ., Seoul (Korea, Republic of). Faculty of Nanotechnology and Advanced Materials Engineering

    2012-07-01

    Essential information for students in researchers working towards new and more efficient solid-state lighting. Comprehensive survey based on the authors' long experience. Useful both for teaching and reference. The idea for this book arose out of the realization that, although excellent surveys and a phosphor handbook are available, there is no single source covering the area of phosphate based phosphors especially for lamp industry. Moreover, as this field gets only limited attention in most general books on luminescence, there is a clear need for a book in which attention is specifically directed toward this rapidly growing field of solid state lighting and its many applications. This book is aimed at providing a sound introduction to the synthesis and optical characterization of phosphate phosphor for undergraduate and graduate students as well as teachers and researchers. The book provides guidance through the multidisciplinary field of solid state lighting specially phosphate phosphors for beginners, scientists and engineers from universities, research organizations, and especially industry. In order to make it useful for a wide audience, both fundamentals and applications are discussed, together.

  1. A software framework for analysing solid-state MAS NMR data

    International Nuclear Information System (INIS)

    Stevens, Tim J.; Fogh, Rasmus H.; Boucher, Wayne; Higman, Victoria A.; Eisenmenger, Frank; Bardiaux, Benjamin; Rossum, Barth-Jan van; Oschkinat, Hartmut; Laue, Ernest D.

    2011-01-01

    Solid-state magic-angle-spinning (MAS) NMR of proteins has undergone many rapid methodological developments in recent years, enabling detailed studies of protein structure, function and dynamics. Software development, however, has not kept pace with these advances and data analysis is mostly performed using tools developed for solution NMR which do not directly address solid-state specific issues. Here we present additions to the CcpNmr Analysis software package which enable easier identification of spinning side bands, straightforward analysis of double quantum spectra, automatic consideration of non-uniform labelling schemes, as well as extension of other existing features to the needs of solid-state MAS data. To underpin this, we have updated and extended the CCPN data model and experiment descriptions to include transfer types and nomenclature appropriate for solid-state NMR experiments, as well as a set of experiment prototypes covering the experiments commonly employed by solid-sate MAS protein NMR spectroscopists. This work not only improves solid-state MAS NMR data analysis but provides a platform for anyone who uses the CCPN data model for programming, data transfer, or data archival involving solid-state MAS NMR data.

  2. Review on solid electrolytes for all-solid-state lithium-ion batteries

    Science.gov (United States)

    Zheng, Feng; Kotobuki, Masashi; Song, Shufeng; Lai, Man On; Lu, Li

    2018-06-01

    All-solid-state (ASS) lithium-ion battery has attracted great attention due to its high safety and increased energy density. One of key components in the ASS battery (ASSB) is solid electrolyte that determines performance of the ASSB. Many types of solid electrolytes have been investigated in great detail in the past years, including NASICON-type, garnet-type, perovskite-type, LISICON-type, LiPON-type, Li3N-type, sulfide-type, argyrodite-type, anti-perovskite-type and many more. This paper aims to provide comprehensive reviews on some typical types of key solid electrolytes and some ASSBs, and on gaps that should be resolved.

  3. Design and Characterisation of Solid Electrolytes for All-Solid-State Lithium Batteries

    DEFF Research Database (Denmark)

    Sveinbjörnsson, Dadi Þorsteinn

    The development of all-solid-state lithium batteries, in which the currently used liquid electrolytes are substituted for solid electrolyte materials, could lead to safer batteries offering higher energy densities and longer cycle lifetimes. Designing suitable solid electrolytes with sufficient...... chemical and electrochemical stability, high lithium ion conduction and negligible electronic conduction remains a challenge. The highly lithium ion conducting LiBH4-LiI solid solution is a promising solid electrolyte material. Solid solutions with a LiI content of 6.25%-50% were synthesised by planetary......-rich microstructures during ball milling is found to significantly influence the conductivity of the samples. The long-range diffusion of lithium ions was measured using quasi-elastic neutron scattering. The solid solutions are found to exhibit two-dimensional conduction in the hexagonal plane of the crystal structure...

  4. High power diode pumped solid state lasers

    International Nuclear Information System (INIS)

    Solarz, R.; Albrecht, G.; Beach, R.; Comaskey, B.

    1992-01-01

    Although operational for over twenty years, diode pumped solid state lasers have, for most of their existence, been limited to individual diodes pumping a tiny volume of active medium in an end pumped configuration. More recent years have witnessed the appearance of diode bars, packing around 100 diodes in a 1 cm bar which have enabled end and side pumped small solid state lasers at the few Watt level of output. This paper describes the subsequent development of how proper cooling and stacking of bars enables the fabrication of multi kill average power diode pump arrays with irradiances of 1 kw/cm peak and 250 W/cm 2 average pump power. Since typical conversion efficiencies from the diode light to the pumped laser output light are of order 30% or more, kW average power diode pumped solid state lasers now are possible

  5. Solid state physics principles and modern applications

    CERN Document Server

    Quinn, John J

    2018-01-01

    This book provides the basis for a two-semester graduate course on solid-state physics. The first half presents all the knowledge necessary for a one-semester survey of solid-state physics, but in greater depth than most introductory solid state physics courses. The second half includes most of the important research over the past half-century, covering both the fundamental principles and most recent advances. This new edition includes the latest developments in the treatment of strongly interacting two-dimensional electrons and discusses the generalization from small to larger systems. The book provides explanations in a class-tested tutorial style, and each chapter includes problems reviewing key concepts and calculations. The updated exercises and solutions enable students to become familiar with contemporary research activities, such as the electronic properties of massless fermions in graphene and topological insulators.

  6. Tautomerism, ionization, and bond dissociations of 5-nitro-2,4-dihydro-3H-1,2,4-triazolone.

    NARCIS (Netherlands)

    Harris, N.J.; Lammertsma, K.

    1996-01-01

    Tautomerization, ionization, and bond dissociations of the insensitive high-energy explosive 5-nitro-2,4-dihydro-3H-1,2,4-triazolone (NTO) were studied by molecular orbital SCF and MP2 theories and with the Becke3LYP hybrid density functional using the 6-31+G* and 6-311+G** basis sets. Energies

  7. Solid-state resistor for pulsed power machines

    Science.gov (United States)

    Stoltzfus, Brian; Savage, Mark E.; Hutsel, Brian Thomas; Fowler, William E.; MacRunnels, Keven Alan; Justus, David; Stygar, William A.

    2016-12-06

    A flexible solid-state resistor comprises a string of ceramic resistors that can be used to charge the capacitors of a linear transformer driver (LTD) used in a pulsed power machine. The solid-state resistor is able to absorb the energy of a switch prefire, thereby limiting LTD cavity damage, yet has a sufficiently low RC charge time to allow the capacitor to be recharged without disrupting the operation of the pulsed power machine.

  8. Hydroxylamine and methoxyamine mutagenesis: displacement of the tautomeric equilibrium of the promutagen N6-methoxyadenosine by complementary base pairing.

    Science.gov (United States)

    Stolarski, R; Kierdaszuk, B; Hagberg, C E; Shugar, D

    1984-06-19

    The imino-amino tautomeric equilibrium of the promutagenic adenosine analogue N6-methoxy-2',3',5'-tri-O-methyladenosine [OMe6A(Me)3], in solvents of various polarities, has been studied with the aid of 1H and 13C NMR spectroscopy. The high energy barrier (free enthalpy delta G = 80 +/- 5 kJ X mol-1) between the two tautomeric species renders possible direct observation of the independent sets of all 1H and 13C signals from each of them. The equilibrium ranges from 10% imino in CCl4 to 90% in aqueous medium. Thermodynamic parameters, including energy barriers and lifetimes, were calculated from the temperature dependence of the equilibrium. Essentially similar results prevail for the promutagenic N6-hydroxy analogue. The conformations of the sugar moieties, and of the base about the glycosidic bond, for both tautomers are similar to those for adenosine. The conformation of the exocyclic N6-OCH3 group, which determines the ability of each species to form planar associates (hydrogen-bonded base pairs), has also been evaluated. Formation of autoassociates of OMe6A(Me)3 and of heteroassociates with the potentially complementary 2',3',5'-tri-O-methyluridine and -cytidine, in chloroform solution, was also investigated. The amino form base pairs with uridine and the imino form with cytidine. Formation of a complementary base pair by a given tautomeric species was accompanied by an increase of up to 10% in the population of this species and a concomitant decrease in population of the other species.(ABSTRACT TRUNCATED AT 250 WORDS)

  9. Solid-state dependent dissolution and oral bioavailability of piroxicam in rats.

    Science.gov (United States)

    Lust, Andres; Laidmäe, Ivo; Palo, Mirja; Meos, Andres; Aaltonen, Jaakko; Veski, Peep; Heinämäki, Jyrki; Kogermann, Karin

    2013-01-23

    The aim of this study was to gain understanding about the effects of different solid-state forms of a poorly water-soluble piroxicam on drug dissolution and oral bioavailability in rats. Three different solid-state forms of piroxicam were studied: anhydrate I (AH), monohydrate (MH), and amorphous form in solid dispersion (SD). In addition, the effect of a new polymeric excipient Soluplus® (polyvinyl caprolactam-polyvinyl acetate-polyethylene glycol graft copolymer) on oral bioavailability of piroxicam was investigated. Significant differences in the dissolution and oral bioavailability were found between the solid-state forms of piroxicam. Amorphous piroxicam in SD showed the fastest dissolution in vitro and a solid-state transformation to MH in the dissolution medium. Despite the presence of solid-state transformation, SD exhibited the highest rate and extent of oral absorption in rats. Oral bioavailability of other two solid-state forms decreased in the order AH and MH. The use of Soluplus® was found to enhance the dissolution and oral bioavailability of piroxicam in rats. The present study shows the importance of solid-state form selection for oral bioavailability of a poorly water-soluble drug. Copyright © 2012 Elsevier B.V. All rights reserved.

  10. Development of diode-pumped medical solid-state lasers

    International Nuclear Information System (INIS)

    Kim, Cheol Jung; Kim, Min Suk

    2000-09-01

    Two thirds of human body consists of water and the absorption of laser by water is an important factor in medical laser treatment. Er medical lasers have been used in the dermatology, ophthalmology and dental treatments due to its highest absorption by water. However, 2.9 um Er laser can not be transmitted through an optical fiber. On the other hand, Tm laser can be transmitted through an fiber and also has very high absorption by water. Therefore, Tm lasers are used in ophthalmology and heart treatment wherein the fiber delivery is very important for the treatment. Until now, mainly lamp-pumped solid-state lasers have been used in medical treatments, but the lamp-pumped solid-state lasers are being replaced with the diode-pumped solid-state lasers because the diode-pumped solid-state lasers are more compact and much easier to maintain. Following this trend, end-pumped Er and side-pumped Tm lasers have been developed and the output power of 1 W was obtained for Er and Tm respectively

  11. Development of diode-pumped medical solid-state lasers

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Cheol Jung; Kim, Min Suk

    2000-09-01

    Two thirds of human body consists of water and the absorption of laser by water is an important factor in medical laser treatment. Er medical lasers have been used in the dermatology, ophthalmology and dental treatments due to its highest absorption by water. However, 2.9 um Er laser can not be transmitted through an optical fiber. On the other hand, Tm laser can be transmitted through an fiber and also has very high absorption by water. Therefore, Tm lasers are used in ophthalmology and heart treatment wherein the fiber delivery is very important for the treatment. Until now, mainly lamp-pumped solid-state lasers have been used in medical treatments, but the lamp-pumped solid-state lasers are being replaced with the diode-pumped solid-state lasers because the diode-pumped solid-state lasers are more compact and much easier to maintain. Following this trend, end-pumped Er and side-pumped Tm lasers have been developed and the output power of 1 W was obtained for Er and Tm respectively.

  12. 1,1´,1´´-(2,4,6-Trihydroxybenzene-1,3,5-triyl)triethanone tautomerism revisited

    DEFF Research Database (Denmark)

    Hansen, Poul Erik; Kamounah, Fadhil S.; Zhiryakova, Diana

    2014-01-01

    It has recently been suggested that 1,1′,1′′-(2,4,6-trihydroxybenzene-1,3,5-triyl)triethanone may be tautomeric. Using 13C NMR chemical shifts and deuterium isotope effects on 13C chemical shifts, it is demonstrated that this is not the case. This compound occurs as a strongly hydrogen bonded ben...

  13. Electronic effects of substituents in o-hydroxyazo compounds and azoquinone-hydrazone tautomerism

    International Nuclear Information System (INIS)

    Raikhshtat, M.M.; Zhogina, V.V.; Savvin, S.B.

    1987-01-01

    The authors have investigated the electronic structure of p-substituted phenylazonaphthol and some o-hydroxyazo compounds of the general structure X-N=N-Y. The influence of structural changes of the X and Y radicals on the electronic structure of the o-hydroxyazo group was studied. The results are compared with experimental data, obtained by NMR 13 C, by tautomerism of these compounds in solution in CDCl 3 . The electronic structure of o-hydroxyazo compounds was calculated by the PPDP/2 method. This method satisfactorily describes the electronic structure of organic compounds and correctly reproduces electronic effects of the substituents

  14. All solid-state SBS phase conjugate mirror

    Science.gov (United States)

    Dane, C.B.; Hackel, L.A.

    1999-03-09

    A stimulated Brillouin scattering (SBS) phase conjugate laser mirror uses a solid-state nonlinear gain medium instead of the conventional liquid or high pressure gas medium. The concept has been effectively demonstrated using common optical-grade fused silica. An energy threshold of 2.5 mJ and a slope efficiency of over 90% were achieved, resulting in an overall energy reflectivity of >80% for 15 ns, 1 um laser pulses. The use of solid-state materials is enabled by a multi-pass resonant architecture which suppresses transient fluctuations that would otherwise result in damage to the SBS medium. This all solid state phase conjugator is safer, more reliable, and more easily manufactured than prior art designs. It allows nonlinear wavefront correction to be implemented in industrial and defense laser systems whose operating environments would preclude the introduction of potentially hazardous liquids or high pressure gases. 8 figs.

  15. Synthesis, structure and study of azo-hydrazone tautomeric equilibrium of 1,3-dimethyl-5-(arylazo)-6-amino-uracil derivatives

    Science.gov (United States)

    Debnath, Diptanu; Roy, Subhadip; Li, Bing-Han; Lin, Chia-Her; Misra, Tarun Kumar

    2015-04-01

    Azo dyes, 1,3-dimethyl-5-(arylazo)-6-aminouracil (aryl = -C6H5 (1), -p-CH3C6H4 (2), -p-ClC6H4 (3), -p-NO2C6H4 (4)) were prepared and characterized by UV-vis, FT-IR, 1H NMR, 13C NMR spectroscopic techniques and single crystal X-ray crystallographic analysis. In the light of spectroscopic analysis it evidences that of the tautomeric forms, the azo-enamine-keto (A) form is the predominant form in the solid state whereas in different solvents it is the hydrazone-imine-keto (B) form. The study also reveals that the hydrazone-imine-keto (B) form exists in an equilibrium mixture with its anionic form in various organic solvents. The solvatochromic and photophysical properties of the dyes in various solvents with different hydrogen bonding parameter were investigated. The dyes exhibit positive solvatochromic property on moving from polar protic to polar aprotic solvents. They are fluorescent active molecules and exhibit high intense fluorescent peak in some solvents like DMSO and DMF. It has been demonstrated that the anionic form of the hydrazone-imine form is responsible for the high intense fluorescent peak. In addition, the acid-base equilibrium in between neutral and anionic form of hydrazone-imine form in buffer solution of varying pH was investigated and evaluated the pKa values of the dyes by making the use of UV-vis spectroscopic methods. The determined acid dissociation constant (pKa) values increase according to the sequence of 2 > 1 > 3 > 4.

  16. Solid state fermentation studies of citric acid production

    African Journals Online (AJOL)

    SERVER

    2008-03-04

    Mar 4, 2008 ... solid waste management, biomass energy conservation, production of high value products and little risk ... The carrier, sugarcane bagasse for solid state fermentation was procured from National Sugar Institute ... constant weight and designated as dry solid residue (DSR). The filtrate (consisting of biomass, ...

  17. On the solubility advantage of a pharmaceutical’s glassy state over the crystal state, and of its crystal polymorphs

    International Nuclear Information System (INIS)

    Johari, G.P.; Shanker, Ravi M.

    2014-01-01

    Highlights: • Heat capacity data do not yield the solubility advantage of amorphous and metastable crystal pharmaceuticals. • There is no reversible equilibrium of an amorphous solid with its saturated solution. • Solubility advantage of an amorphous solid depends upon the solvent and other interactions. - Abstract: At equilibrium, the saturation solubility and vapor pressure of a material in a state of high free energy are greater than in its state of low free energy. This knowledge from classical thermodynamics is currently used for increasing the solubility of crystalline pharmaceuticals by producing them in their glassy state, or in other solid states of high free energy. The ratio of the apparent saturation solubility of these solids to that of a crystal, calculated from the thermodynamic data of the pure solute, ϕ cal , is called the solubility advantage, and it is used as a guide for increasing the solubility of a pharmaceutical. We argue that the ϕ cal differs from the measured solubility ratio, ϕ meas , because, (i) ϕ cal is independent of the solvent, but ϕ meas is not so, (ii) ϕ cal would increase with the dissolution time monotonically to a constant value, but ϕ meas would first reach a maximum and then decrease, and (iii) approximations are made in estimating ϕ cal and the effect of thermal history on high free energy solids is ignored. On the other hand, ϕ meas is affected by, (a) another chemical equilibrium in the solution, e.g., hydrogen-bond formation and ionic dissociation, (b) the production method and thermal history of a glass or an amorphous samples, and (c) mutarotation in the solution, isomerization or tautomeric conversion in the solid. We also discuss the effects of structural relaxation and crystallization on ϕ meas . The ϕ meas value of a (crystal) polymorph would be affected by all the three, and further if the polymorph is orientationally disordered. We provide evidence for these effects from analysis of the known

  18. Nanocrystalline spinel ferrites by solid state reaction route

    Indian Academy of Sciences (India)

    Wintec

    Nanocrystalline spinel ferrites by solid state reaction route. T K KUNDU* and S MISHRA. Department of Physics, Visva-Bharati, Santiniketan 731 235, India. Abstract. Nanostructured NiFe2O4, MnFe2O4 and (NiZn)Fe2O4 were synthesized by aliovalent ion doping using conventional solid-state reaction route. With the ...

  19. Preliminary field evaluation of solid state cameras for security applications

    International Nuclear Information System (INIS)

    Murray, D.W.

    1987-01-01

    Recent developments in solid state imager technology have resulted in a series of compact, lightweight, all-solid-state closed circuit television (CCTV) cameras. Although it is widely known that the various solid state cameras have less light sensitivity and lower resolution than their vacuum tube counterparts, the potential for having a much longer Mean Time Between Failure (MTBF) for the all-solid-state cameras is generating considerable interest within the security community. Questions have been raised as to whether the newest and best of the solid state cameras are a viable alternative to the high maintenance vacuum tube cameras in exterior security applications. To help answer these questions, a series of tests were performed by Sandia National Laboratories at various test sites and under several lighting conditions. The results of these tests as well as a description of the test equipment, test sites, and procedures are presented in this report

  20. Time-resolved spectroscopic characterization of photo-induced valence tautomerism for a cobalt-dioxolene complex

    Energy Technology Data Exchange (ETDEWEB)

    Gentili, Pier Luigi [LENS, Universita di Firenze, Via Nello Carrara 1, 50019 Sesto Fiorentino, Firenze (Italy)], E-mail: gentili@lens.unifi.it; Bussotti, Laura [LENS, Universita di Firenze, Via Nello Carrara 1, 50019 Sesto Fiorentino, Firenze (Italy); Righini, Roberto [LENS, Universita di Firenze, Via Nello Carrara 1, 50019 Sesto Fiorentino, Firenze (Italy); Dipartimento di Chimica, Universita di Firenze, Via della Lastruccia 3, 50019 Sesto Fiorentino, Firenze (Italy)], E-mail: righini@lens.unifi.it; Beni, Alessandra [Dipartimento di Chimica, Universita di Firenze, Via della Lastruccia 3, 50019 Sesto Fiorentino, Firenze (Italy); Bogani, Lapo [Dipartimento di Chimica, Universita di Firenze, Via della Lastruccia 3, 50019 Sesto Fiorentino, Firenze (Italy); Dei, Andrea [Dipartimento di Chimica, Universita di Firenze, Via della Lastruccia 3, 50019 Sesto Fiorentino, Firenze (Italy)

    2005-07-18

    The valence tautomerism of low-spin Co{sup III}(Cat-N-BQ)(Cat-N-SQ) (where Cat-N-BQ is 2-(2-hydroxy-3,5-di-tert-butylphenylimino)-4,6-di-tert-butylcyclohexa-3, 5-dien one and Cat-N-SQ is the dianionic radical analogue) was investigated by means of UV-vis pump-probe transient absorption spectroscopy and {sup 1}H NMR technique in chloroform and dichloromethane. By exciting the CT transition of the complex at 480 nm, an intramolecular electron transfer process is selectively triggered. The photo-induced charge transfer is pursued by a cascade of two main molecular events characterized by the ultrafast transient absorption spectroscopy: the first gives rise to the metastable high-spin Co{sup II}(Cat-N-BQ){sub 2} that, secondly, reaches the chemical equilibrium with the reactant species. The rate constant of back valence tautomerization estimated by measuring the lifetime of high-spin Co{sup II}(Cat-N-BQ){sub 2} species and the equilibrium constant for the Co{sup III}(Cat-N-BQ)(Cat-N-SQ) <-> Co{sup II}(Cat-N-BQ){sub 2} interconversion, is significantly large (on the order of 10{sup 9} s{sup -1}). It is interpreted under the point of view of the theory formulated by Jortner and Buhks et al. for non-adiabatic radiationless processes.

  1. Research on IGBT solid state switch

    CERN Document Server

    Gan Kong Yin; Wang Xiao Feng; Wang Lang Ping; Wang Song Yan; Chu, P K; Wu Hong Chen

    2002-01-01

    The experiments on the IGBT solid state switch for induction accelerator was carried out with two series 1.2 kV, 75 A IGBT (GA75TS120U). The static and dynamic balancing modules were carried out with metal oxide varistors, capacities and diodes in order to suppress the over-voltage during IGBT on and off. Experimental results show that IGBT solid state switch works very stable under the different conditions. It can output peak voltage 1.8 kV, rise time 300 ns, fall time 1.64 mu s waveforms on the loads. The simulation data using OrCAD are in accord with experimental results except the rise time

  2. Research on IGBT solid state switch

    International Nuclear Information System (INIS)

    Gan Kongyin; Tang Baoyin; Wang Xiaofeng; Wang Langping; Wang Songyan; Wu Hongchen

    2002-01-01

    The experiments on the IGBT solid state switch for induction accelerator was carried out with two series 1.2 kV, 75 A IGBT (GA75TS120U). The static and dynamic balancing modules were carried out with metal oxide varistors, capacities and diodes in order to suppress the over-voltage during IGBT on and off. Experimental results show that IGBT solid state switch works very stable under the different conditions. It can output peak voltage 1.8 kV, rise time 300 ns, fall time 1.64 μs waveforms on the loads. The simulation data using OrCAD are in accord with experimental results except the rise time

  3. Handbook of Applied Solid State Spectroscopy

    CERN Document Server

    Vij, D. R

    2006-01-01

    Solid-State spectroscopy is a burgeoning field with applications in many branches of science, including physics, chemistry, biosciences, surface science, and materials science. Handbook of Applied Solid-State Spectroscopy brings together in one volume information about various spectroscopic techniques that is currently scattered in the literature of these disciplines. This concise yet comprehensive volume covers theory and applications of a broad range of spectroscopies, including NMR, NQR, EPR/ESR, ENDOR, scanning tunneling, acoustic resonance, FTIR, auger electron emission, x-ray photoelectron emission, luminescence, and optical polarization, and more. Emphasis is placed on fundamentals and current methods and procedures, together with the latest applications and developments in the field.

  4. Physical Acoustics in the Solid State

    CERN Document Server

    Lüthi, B

    2006-01-01

    Suitable for researchers and graduate students in physics and material science, "Physical Acoustics in the Solid State" reviews the modern aspects in the field, including many experimental results, especially those involving ultrasonics. Practically all fields of solid-state physics are covered: metals, semiconductors, magnetism, superconductivity, different kinds of phase transitions, low-dimensional systems, and the quantum Hall effect. After a review of the relevant experimental techniques and an introduction to the theory of elasticity, emphasizing the symmetry aspects, applications in the various fields of condensed matter physics are presented. Also treated are Brillouin-scattering results and results from thermodynamic investigations, such as thermal expansion and specific heat.

  5. Physical Acoustics in the Solid State

    CERN Document Server

    Lüthi, Bruno

    2007-01-01

    Suitable for researchers and graduate students in physics and material science, "Physical Acoustics in the Solid State" reviews the modern aspects in the field, including many experimental results, especially those involving ultrasonics. Practically all fields of solid-state physics are covered: metals, semiconductors, magnetism, superconductivity, different kinds of phase transitions, low-dimensional systems, and the quantum Hall effect. After a review of the relevant experimental techniques and an introduction to the theory of elasticity, emphasizing the symmetry aspects, applications in the various fields of condensed matter physics are presented. Also treated are Brillouin-scattering results and results from thermodynamic investigations, such as thermal expansion and specific heat.

  6. Crystal and molecular structures of benzo[4,5]imidazo[1,2-c]quinazolin-6-one and 10-carboxybenzo[4,5]imidazo[1,2-c]quinazolin-6-one: A quantum-chemical study of their tautomerism

    International Nuclear Information System (INIS)

    Koval’chukova, O. V.; Stash, A. I.; Strashnov, P. V.; Neborak, E. V.; Strashnova, S. B.; Zaitsev, B. E.

    2011-01-01

    Benzo[4,5]imidazo[1,2-c]quinazolin-6-one and 10-carboxybenzo[4,5]imidazo[1,2-c]quinazolin-6-one were isolated in the crystalline state and studied by X-ray diffraction. The crystal and molecular structures of these compounds were determined by X-ray diffraction. The energy characteristics of the tautomeric and ionic forms were calculated by the quantum-chemical PM3 method.

  7. Uses of solid state analogies in elementary particle theory

    International Nuclear Information System (INIS)

    Anderson, P.W.

    1976-01-01

    The solid state background of some of the modern ideas of field theory is reviewed, and additional examples of model situations in solid state or many-body theory which may have relevance to fundamental theories of elementary particles are adduced

  8. Transire, a Program for Generating Solid-State Interface Structures

    Science.gov (United States)

    2017-09-14

    ARL-TR-8134 ● SEP 2017 US Army Research Laboratory Transire, a Program for Generating Solid-State Interface Structures by...Program for Generating Solid-State Interface Structures by Caleb M Carlin and Berend C Rinderspacher Weapons and Materials Research Directorate, ARL...

  9. IFE Power Plant design principles. Drivers. Solid state laser drivers

    International Nuclear Information System (INIS)

    Nakai, S.; Andre, M.; Krupke, W.F.; Mak, A.A.; Soures, J.M.; Yamanaka, M.

    1995-01-01

    The present status of solid state laser drivers for an inertial confinement thermonuclear fusion power plant is discussed. In particular, the feasibility of laser diode pumped solid state laser drivers from both the technical and economic points of view is briefly reviewed. Conceptual design studies showed that they can, in principle, satisfy the design requirements. However, development of new solid state materials with long fluorescence lifetimes and good thermal characteristics is a key issue for laser diode pumped solid state lasers. With the advent of laser diode pumping many materials which were abandoned in the past can presently be reconsidered as viable candidates. It is also concluded that it is important to examine the technical requirements for solid state lasers in relation to target performance criteria. The progress of laser diode pumped lasers in industrial applications should also be closely watched to provide additional information on the economic feasibility of this type of driver. 15 refs, 9 figs, 2 tabs

  10. Potential of solid state fermentation for production of ergot alkaloids

    OpenAIRE

    Trejo Hernandez, M.R.; Raimbault, Maurice; Roussos, Sevastianos; Lonsane, B.K.

    1992-01-01

    Production of total ergot alkaloids by #Claviceps fusiformis$ in solid state fermentation was 3.9 times higher compared to that in submerged fermentation. Production was equal in the case of #Claviceps purpurea$ but the spectra of alkaloids were advantageous with the use of solid state fermentation. The data establish potential of solid state fermentation which was not explored earlier for production of ergot alkaloids. (Résumé d'auteur)

  11. Development of the plastic solid-dye cell for tunable solid-state dye lasers and study on its optical properties

    Energy Technology Data Exchange (ETDEWEB)

    Ko, Do Kyeong; Lee, Jong Min; Cha, Byung Heon; Jung, E. C.; Kim, Hyun Su; Lim, Gwon

    2001-01-01

    we have fabricated solid-state dyes with PMMA and sol-gel materials. We developed single longitudianl mode solid-state dye laser with the linewidth of less than 500MHz. We have constructed a self-seeded laser and observed the increase of the output power because of self-seeding effect. We investigated the operating characteristics of the dualwave laser oscillator and DFDL with solid-state dyes. And we have constructed the 3-color solid-state dye laser oscillator and amplifier system and observed 3-color operation. We also improved the laser oscliiator with disk-type solid-state dye cell which can be translated and rotated with the help of the two stepping motors. With the help of computer control, we could constantly changed the illuminated area of the dye cell and, therefore, were able to achieve long time operation and to use almost the entire region of the solid-state dye cell.

  12. Radiation sensitive solid state devices

    International Nuclear Information System (INIS)

    Shannon, J.M.; Ralph, J.E.

    1975-01-01

    A solid state radiation sensitive device is described employing JFETs as the sensitive elements. Two terminal construction is achieved by using a common conductor to capacitively couple to the JFET gate and to one of the source and drain connections. (auth)

  13. [Quantum-chemical investigation of tautomerization ways of Watson-Crick DNA base pair guanine-cytosine].

    Science.gov (United States)

    Brovarets', O O; Hovorun, D M

    2010-01-01

    A novel physico-chemical mechanism of the Watson-Crick DNA base pair Gua.Cyt tautomerization Gua.Cyt*Gua.CytGua*.Cyt (mutagenic tautomers of bases are marked by asterisks) have been revealed and realized in a pathway of single proton transfer through two mutual isoenergetic transition states with Gibbs free energy of activation 30.4 and 30.6 kcal/mol and they are ion pairs stabilized by three (N2H...N3, N1H...N4- and O6+H...N4-) and five (N2H...O2, N1H...O2, N1H...N3, O6+H...N4- and 06+H...N4-) H-bonds accordingly. Stable base pairs Gua-Cyt* and Gua*.Cyt which dissociate comparably easy into monomers have acceptable relative Gibbs energies--12.9 and 14.3 kcal/mol--for the explanation of the nature of the spontaneous transitions of DNA replication. Results are obtained at the MP2/6-311++G(2df,pd)//B3LYP/6-31 1++G(d,p) level of theory in vacuum approach.

  14. Antibacterial Barbituric Acid Analogues Inspired from Natural 3-Acyltetramic Acids; Synthesis, Tautomerism and Structure and Physicochemical Property-Antibacterial Activity Relationships

    Directory of Open Access Journals (Sweden)

    Yong-Chul Jeong

    2015-02-01

    Full Text Available The synthesis, tautomerism and antibacterial activity of novel barbiturates is reported. In particular, 3-acyl and 3-carboxamidobarbiturates exhibited antibacterial activity, against susceptible and some resistant Gram-positive strains of particular interest is that these systems possess amenable molecular weight, rotatable bonds and number of proton-donors/acceptors for drug design as well as less lipophilic character, with physicochemical properties and ionic states that are similar to current antibiotic agents for oral and injectable use. Unfortunately, the reduction of plasma protein affinity by the barbituric core is not sufficient to achieve activity in vivo. Further optimization to reduce plasma protein affinity and/or elevate antibiotic potency is therefore required, but we believe that these systems offer unusual opportunities for antibiotic drug discovery.

  15. Atomistic Simulation of Interfaces in Materials of Solid State Ionics

    Science.gov (United States)

    Ivanov-Schitz, A. K.; Mazo, G. N.

    2018-01-01

    The possibilities of describing correctly interfaces of different types in solids within a computer experiment using molecular statics simulation, molecular dynamics simulation, and quantum chemical calculations are discussed. Heterophase boundaries of various types, including grain boundaries and solid electrolyte‒solid electrolyte and ionic conductor‒electrode material interfaces, are considered. Specific microstructural features and mechanisms of the ion transport in real heterophase structures (cationic conductor‒metal anode and anionic conductor‒cathode) existing in solid state ionics devices (such as solid-state batteries and fuel cells) are discussed.

  16. Solid state division progress report, period ending February 29, 1980

    Energy Technology Data Exchange (ETDEWEB)

    1980-09-01

    Research is reported concerning theoretical solid state physics; surface and near-surface properties of solids; defects in solids; transport properties of solids; neutron scattering; crystal growth and characterization; and isotope research materials.

  17. Solid state division progress report, period ending February 29, 1980

    International Nuclear Information System (INIS)

    1980-09-01

    Research is reported concerning theoretical solid state physics; surface and near-surface properties of solids; defects in solids; transport properties of solids; neutron scattering; crystal growth and characterization; and isotope research materials

  18. Solid-State Thyratron Replacement. Final Report

    Energy Technology Data Exchange (ETDEWEB)

    Roth, Ian [Diversified Technologies, Inc., Bedford, MA

    2017-12-12

    Under this SBIR, DTI developed a solid-state switch as an alternative to legacy thyratron equipment. Our Phase II objective was to make a solid-state thyratron replacement that would provide equivalent or better performance, much higher reliability (at least a 20 year lifetime, compared to a thyratron’s two-year lifetime) and would sell for ~3x the cost of a thyratron, or less than $40k. We were successful in building a solid-state switch which could reliably function as a thyratron replacement. The unit was designed to directly replace the thyratrons currently being used at SLAC’s Linac Coherent Light Source (LCLS), and was built in a tank that was small enough to fit into the existing thyratron cabinet, providing a true form-fit-function replacement path. We tested the switch at the full operating specifications: 48 kV, 6.3 kA, and 1 µs risetime. We also demonstrated a peak-to-peak pulse jitter of 1.5 ns, which is five times shorter than is typical for thyratrons. This lower jitter would improve the performance of the LCLS beam. The predicted reliability is more than 80 years, which is 40 times greater than a thyratron.

  19. Space-time complexity in solid state models

    International Nuclear Information System (INIS)

    Bishop, A.R.

    1985-01-01

    In this Workshop on symmetry-breaking it is appropriate to include the evolving fields of nonlinear-nonequilibrium systems in which transitions to and between various degrees of ''complexity'' (including ''chaos'') occur in time or space or both. These notions naturally bring together phenomena of pattern formation and chaos and therefore have ramifications for a huge array of natural sciences - astrophysics, plasmas and lasers, hydrodynamics, field theory, materials and solid state theory, optics and electronics, biology, pattern recognition and evolution, etc. Our particular concerns here are with examples from solid state and condensed matter

  20. State of the art of solid state dosimetry

    International Nuclear Information System (INIS)

    Souza, Susana O.; Yamamoto, Takayoshi; D'Errico, Francesco

    2014-01-01

    Passive solid-state detectors still dominate the personal dosimetry field. This article provides state of the art in this field and summarizes the most recent works presented on TL, OSL and RPL during the 17th International Conference on Solid State Dosimetry held in Recife in September 2013. The Article contains in particular the techniques Thermoluminescence (TL), Optically Stimulated Luminescence (OSL), radio photoluminescence (RPL). Thermoluminescence has the biggest advantage of the wide availability of commercial materials for dosimetry, and the nature tissue-equivalent of several of these materials. The limitation of the TL dosimetry presents fading luminance signal and the need for high temperatures to obtain the signal. The Optically Stimulated Luminescence has the advantages of high sensitivity, the possibility of multiple reading, while its limit is the need to use response compensating filters in addition to the high cost of equipment and dosimeters still restricted very few options trading . The radio photoluminescence has a reading that is completely non-destructive, but their dosimeters present lack of tissue-equivalent and a high cost. Presents the details of the techniques and the advantages and limitations of each of these will be discussed

  1. Applied solid state science advances in materials and device research

    CERN Document Server

    Wolfe, Raymond

    2013-01-01

    Applied Solid State Science: Advances in Materials and Device Research, Volume 4 covers articles on single crystal compound semiconductors and complex polycrystalline materials. The book discusses narrow gap semiconductors and solid state batteries. The text then describes the advantages of hot-pressed microcrystalline compacts of oxygen-octahedra ferroelectrics over single crystal materials, as well as heterostructure junction lasers. Solid state physicists, materials scientists, electrical engineers, and graduate students studying the subjects being discussed will find the book invaluable.

  2. SOLID STATE BATTERIES WITH CONDUCTING POLYMERS

    OpenAIRE

    Bénière , F.; Boils , D.; Cánepa , H.; Franco , J.; Le Corre , A.; Louboutin , J.

    1983-01-01

    The conducting polymers like (CH)x are very interesting materials for electrodes in electrochemical cells. We have combined such electrodes with solid electrolytes to build "all solid-state" batteries. The first prototypes using a silver anode and a silver conducting electrolyte have been working satisfactorily since two years. The performances have been tested with many batteries to study the electrical properties as well as the thermodynamical parameters. A number of cycles of charge-discha...

  3. DNP-enhanced solid-state NMR spectroscopy of active pharmaceutical ingredients.

    Science.gov (United States)

    Zhao, Li; Pinon, Arthur C; Emsley, Lyndon; Rossini, Aaron J

    2017-11-28

    Solid-state NMR spectroscopy has become a valuable tool for the characterization of both pure and formulated active pharmaceutical ingredients (APIs). However, NMR generally suffers from poor sensitivity that often restricts NMR experiments to nuclei with favorable properties, concentrated samples, and acquisition of one-dimensional (1D) NMR spectra. Here, we review how dynamic nuclear polarization (DNP) can be applied to routinely enhance the sensitivity of solid-state NMR experiments by one to two orders of magnitude for both pure and formulated APIs. Sample preparation protocols for relayed DNP experiments and experiments on directly doped APIs are detailed. Numerical spin diffusion models illustrate the dependence of relayed DNP enhancements on the relaxation properties and particle size of the solids and can be used for particle size determination when the other factors are known. We then describe the advanced solid-state NMR experiments that have been enabled by DNP and how they provide unique insight into the molecular and macroscopic structure of APIs. For example, with large sensitivity gains provided by DNP, natural isotopic abundance, 13 C- 13 C double-quantum single-quantum homonuclear correlation NMR spectra of pure APIs can be routinely acquired. DNP also enables solid-state NMR experiments with unreceptive quadrupolar nuclei such as 2 H, 14 N, and 35 Cl that are commonly found in APIs. Applications of DNP-enhanced solid-state NMR spectroscopy for the molecular level characterization of low API load formulations such as commercial tablets and amorphous solid dispersions are described. Future perspectives for DNP-enhanced solid-state NMR experiments on APIs are briefly discussed. Copyright © 2017 John Wiley & Sons, Ltd.

  4. Guanidinium nonaflate as a solid-state proton conductor

    DEFF Research Database (Denmark)

    Chen, Xiaoli; Tang, Haolin; Putzeys, Tristan

    2016-01-01

    Protic organic ionic plastic crystals (POIPCs) are a type of novel solid-state proton conductors. In this work, guanidinium nonaflate ([Gdm-H][NfO]) is reported to be a model POIPC. Its structure-property relationship has been investigated comprehensively. Infrared analysis of [Gdm-H][NfO] and its....... In addition, POIPC-based solid-state proton conductors are also expected to find applications in sensors and other electrochemical devices....

  5. Novel Nanostructured Solid Materials for Modulating Oral Drug Delivery from Solid-State Lipid-Based Drug Delivery Systems.

    Science.gov (United States)

    Dening, Tahnee J; Rao, Shasha; Thomas, Nicky; Prestidge, Clive A

    2016-01-01

    Lipid-based drug delivery systems (LBDDS) have gained significant attention in recent times, owing to their ability to overcome the challenges limiting the oral delivery of poorly water-soluble drugs. Despite the successful commercialization of several LBDDS products over the years, a large discrepancy exists between the number of poorly water-soluble drugs displaying suboptimal in vivo performances and the application of LBDDS to mitigate their various delivery challenges. Conventional LBDDS, including lipid solutions and suspensions, emulsions, and self-emulsifying formulations, suffer from various drawbacks limiting their widespread use and commercialization. Accordingly, solid-state LBDDS, fabricated by adsorbing LBDDS onto a chemically inert solid carrier material, have attracted substantial interest as a viable means of stabilizing LBDDS whilst eliminating some of the various limitations. This review describes the impact of solid carrier choice on LBDDS performance and highlights the importance of appropriate solid carrier material selection when designing hybrid solid-state LBDDS. Specifically, emphasis is placed on discussing the ability of the specific solid carrier to modulate drug release, control lipase action and lipid digestion, and enhance biopharmaceutical performance above the original liquid-state LBDDS. To encourage the interested reader to consider their solid carrier choice on a higher level, various novel materials with the potential for future use as solid carriers for LBDDS are described. This review is highly significant in guiding future research directions in the solid-state LBDDS field and fostering the translation of these delivery systems to the pharmaceutical marketplace.

  6. Preliminary field evaluation of solid state cameras for security applications

    International Nuclear Information System (INIS)

    1987-01-01

    Recent developments in solid state imager technology have resulted in a series of compact, lightweight, all-solid-state closed circuit television (CCTV) cameras. Although it is widely known that the various solid state cameras have less light sensitivity and lower resolution than their vacuum tube counterparts, the potential for having a much longer Mean Time Between Failure (MTBF) for the all-solid-state cameras is generating considerable interest within the security community. Questions have been raised as to whether the newest and best of the solid state cameras are a viable alternative to the high maintenance vacuum tube cameras in exterior security applications. To help answer these questions, a series of tests were performed by Sandia National Laboratories at various test sites and under several lighting conditions. In general, all-solid-state cameras need to be improved in four areas before they can be used as wholesale replacements for tube cameras in exterior security applications: resolution, sensitivity, contrast, and smear. However, with careful design some of the higher performance cameras can be used for perimeter security systems, and all of the cameras have applications where they are uniquely qualified. Many of the cameras are well suited for interior assessment and surveillance uses, and several of the cameras are well designed as robotics and machine vision devices

  7. The solid state detector technology for picosecond laser ranging

    Science.gov (United States)

    Prochazka, Ivan

    1993-01-01

    We developed an all solid state laser ranging detector technology, which makes the goal of millimeter accuracy achievable. Our design and construction philosophy is to combine the techniques of single photon ranging, ultrashort laser pulses, and fast fixed threshold discrimination while avoiding any analog signal processing within the laser ranging chain. The all solid state laser ranging detector package consists of the START detector and the STOP solid state photon counting module. Both the detectors are working in an optically triggered avalanche switching regime. The optical signal is triggering an avalanche current buildup which results in the generation of a uniform, fast risetime output pulse.

  8. Solid state physics

    CERN Document Server

    Burns, Gerald

    2013-01-01

    The objective of Solid State Physics is to introduce college seniors and first-year graduate students in physics, electrical engineering, materials science, chemistry, and related areas to this diverse and fascinating field. I have attempted to present this complex subject matter in a coherent, integrated manner, emphasizing fundamental scientific ideas to give the student a strong understanding and ""feel"" for the physics and the orders of magnitude involved. The subject is varied, covering many important, sophisticated, and practical areas, which, at first, may appear unrelated but which ar

  9. Solid state mechanics

    International Nuclear Information System (INIS)

    Habib, P.

    1988-01-01

    The 1988 progress report of the Solid State Mechanics laboratory (Polytechnic School, France) is presented. The research program domains are the following: investigations concerning the stability and bifurcation of the reversible or irreversible mechanical systems, the problems related to the theoretical and experimental determination of the materials rheological properties, the fatigue crack formation and propagation in multiple-axial stress conditions, the expert systems, and the software applied in the reinforced earth structures dimensioning. Moreover, the published papers, the books, the congress communications, the thesis, and the patents are listed [fr

  10. Facilitated ion transport in all-solid-state flexible supercapacitors.

    Science.gov (United States)

    Choi, Bong Gill; Hong, Jinkee; Hong, Won Hi; Hammond, Paula T; Park, HoSeok

    2011-09-27

    The realization of highly flexible and all-solid-state energy-storage devices strongly depends on both the electrical properties and mechanical integrity of the constitutive materials and the controlled assembly of electrode and solid electrolyte. Herein we report the preparation of all-solid-state flexible supercapacitors (SCs) through the easy assembly of functionalized reduced graphene oxide (f-RGO) thin films (as electrode) and solvent-cast Nafion electrolyte membranes (as electrolyte and separator). In particular, the f-RGO-based SCs (f-RGO-SCs) showed a 2-fold higher specific capacitance (118.5 F/g at 1 A/g) and rate capability (90% retention at 30 A/g) compared to those of all-solid-state graphene SCs (62.3 F/g at 1A/g and 48% retention at 30 A/g). As proven by the 4-fold faster relaxation of the f-RGO-SCs than that of the RGO-SCs and more capacitive behavior of the former at the low-frequency region, these results were attributed to the facilitated ionic transport at the electrical double layer by means of the interfacial engineering of RGO by Nafion. Moreover, the superiority of all-solid-state flexible f-RGO-SCs was demonstrated by the good performance durability under the 1000 cycles of charging and discharging due to the mechanical integrity as a consequence of the interconnected networking structures. Therefore, this research provides new insight into the rational design and fabrication of all-solid-state flexible energy-storage devices as well as the fundamental understanding of ion and charge transport at the interface. © 2011 American Chemical Society

  11. Entanglement in Solid-State Nanostructures

    NARCIS (Netherlands)

    Bodoky, F.

    2009-01-01

    The goal of this thesis is to investigate theoretically the generation and behaviour of multipartite entanglement for solid-state nanosystems, in particular electron spin quantum bits (so-called 'qubits') in quantum dots. A quantum dot is a tiny potential well where a single electron can be trapped.

  12. All-optical quantum computing with a hybrid solid-state processing unit

    International Nuclear Information System (INIS)

    Pei Pei; Zhang Fengyang; Li Chong; Song Heshan

    2011-01-01

    We develop an architecture of a hybrid quantum solid-state processing unit for universal quantum computing. The architecture allows distant and nonidentical solid-state qubits in distinct physical systems to interact and work collaboratively. All the quantum computing procedures are controlled by optical methods using classical fields and cavity QED. Our methods have a prominent advantage of the insensitivity to dissipation process benefiting from the virtual excitation of subsystems. Moreover, the quantum nondemolition measurements and state transfer for the solid-state qubits are proposed. The architecture opens promising perspectives for implementing scalable quantum computation in a broader sense that different solid-state systems can merge and be integrated into one quantum processor afterward.

  13. Structural and dynamic properties of solid state ionics

    International Nuclear Information System (INIS)

    Sakuma, T.

    1995-01-01

    The structural and dynamic properties of solid state ionics are reviewed. The low temperature phase transition of the copper halide-chalcogen compounds by specific heat measurements, electrical conductivity measurements and x-ray diffraction measurements are explained. The structures of solid state ionics investigated by the usual x-ray diffraction method and the anomalous x-ray scattering (AXS) measurement are discussed. The expression of the diffuse scattering intensity including the correlations among the thermal displacements of atoms has been given and applied to α-AgI type solid state ionics and lithium sulphate. The presence of low-energy excitations in crystalline copper ion conductors and the superionic conducting glass is investigated by neutron inelastic scattering measurements. The relation between the excitation energy and the mass of the cations is discussed. (author). 141 refs., 21 figs., 7 tabs

  14. Tautomeric transformation of temozolomide, their proton affinities and chemical reactivities: A theoretical approach.

    Science.gov (United States)

    Sang-Aroon, Wichien; Ruangpornvisuti, Vithaya; Amornkitbamrung, Vittaya

    2016-05-01

    The gas-phase geometry optimizations of bare, mono- and dihydrated complexes of temozolomide isomers were carried out using density functional calculation at the M06-2X/6-31+G(d,p) level of the theory. The structures and protonation energies of protonated species of temozolomide are reported. Chemical indices of all isomers and protonated species are also reported. Energies, thermodynamic quantities, rate constants and equilibrium constants of tautomeric and rotameric transformations of all isomers I1↔TZM↔HIa↔HIb↔I2↔I3 in bare and hydrated systems were obtained. Copyright © 2016 Elsevier Inc. All rights reserved.

  15. Advances in Solid State Physics

    CERN Document Server

    Haug, Rolf

    2009-01-01

    The present volume 48 of the Advances in Solid State Physics contains the written version of a large number of the invited talks of the 2008 Spring Meeting of the DPG section Condensed Matter Physics (Sektion kondensierte Materie der DPG) which was held in Berlin, Germany, and gives a nice overview of the present status of condensed matter physics. Low-dimensional systems are dominating the field and especially nanowires and quantum dots. In recent years one learned how to produce nanowires directly during a growth process. Therefore, a number of articles is related to such nanowires. In nanoparticles and quantum dots, the dimensionality is further reduced and we learn more and more how to produce such systems in a defined way and what effects result from the confinement in all three dimensions. Spin effects and magnetism is another important field of present-day research in solid state physics. The third chapter covers this physics. The growing interest into organic materials and biological systems is reflec...

  16. Theory of the l-state population of Rydberg states formed in ion-solid collisions

    International Nuclear Information System (INIS)

    Kemmler, J.; Burgdoerfer, J.; Reinhold, C.O.

    1991-01-01

    The experimentally observed high-l-state population of ions excited in ion-solid interactions differs sharply from l-state populations produced in ion-atom collisions. We have studied the population dynamics of electronic excitation and transport within the framework of a classical transport theory for O 2+ (2-MeV/u) ions traversing C foils. The resulting delayed-photon-emission intensities are found to be in very good agreement with experiment. Initial phase-space conditions have been obtained from both classical-trajectory Monte Carlo calculations and random initial distributions. We find evidence that the very-high-l-state populations produced in ion-solid collisions are the result of a diffusion to high-l states under the influence of multiple scattering in the bulk of the solid

  17. Characterization of photo-induced valence tautomerism in a cobalt-dioxolene complex by ultrafast spectroscopy

    International Nuclear Information System (INIS)

    Beni, A; Bogani, L; Bussotti, L; Dei, A; Gentili, P L; Righini, R

    2005-01-01

    The valence tautomerism of low-spin Co III (Cat-N-BQ)(Cat-N-SQ) was investigated by means of UV-vis pump-probe transient absorption spectroscopy in chloroform. By exciting the CT transition of the complex at 480 nm, an intramolecular electron transfer process is selectively triggered. The photo-induced charge transfer is pursued by a cascade of two main molecular events characterized by the ultrafast transient absorption spectroscopy: the first gives rise to the metastable high-spin Co II (Cat-N-BQ) 2 that, secondly, reaches the chemical equilibrium with the reactant species

  18. Characterization of photo-induced valence tautomerism in a cobalt-dioxolene complex by ultrafast spectroscopy

    Science.gov (United States)

    Beni, A.; Bogani, L.; Bussotti, L.; Dei, A.; Gentili, P. L.; Righini, R.

    2005-01-01

    The valence tautomerism of low-spin CoIII(Cat-N-BQ)(Cat-N-SQ) was investigated by means of UV-vis pump-probe transient absorption spectroscopy in chloroform. By exciting the CT transition of the complex at 480 nm, an intramolecular electron transfer process is selectively triggered. The photo-induced charge transfer is pursued by a cascade of two main molecular events characterized by the ultrafast transient absorption spectroscopy: the first gives rise to the metastable high-spin CoII(Cat-N-BQ)2 that, secondly, reaches the chemical equilibrium with the reactant species.

  19. Solid State Inflation Balloon Active Deorbiter

    Data.gov (United States)

    National Aeronautics and Space Administration — The Solid State Inflation Balloon (SSIB) is a simple, reliable, low-cost, non-propulsive system for deliberate deorbit and control of downrange point-of-impact that...

  20. All-Solid-State Sodium-Selective Electrode with a Solid Contact of Chitosan/Prussian Blue Nanocomposite

    Directory of Open Access Journals (Sweden)

    Tanushree Ghosh

    2017-11-01

    Full Text Available Conventional ion-selective electrodes with a liquid junction have the disadvantage of potential drift. All-solid-state ion-selective electrodes with solid contact in between the metal electrode and the ion-selective membrane offer high capacitance or conductance to enhance potential stability. Solution-casted chitosan/Prussian blue nanocomposite (ChPBN was employed as the solid contact layer for an all-solid-state sodium ion-selective electrode in a potentiometric sodium ion sensor. Morphological and chemical analyses confirmed that the ChPBN is a macroporous network of chitosan that contains abundant Prussian blue nanoparticles. Situated between a screen-printed carbon electrode and a sodium-ionophore-filled polyvinylchloride ion-selective membrane, the ChPBN layer exhibited high redox capacitance and fast charge transfer capability, which significantly enhanced the performance of the sodium ion-selective electrode. A good Nernstian response with a slope of 52.4 mV/decade in the linear range from 10−4–1 M of NaCl was observed. The stability of the electrical potential of the new solid contact was tested by chronopotentiometry, and the capacitance of the electrode was 154 ± 4 µF. The response stability in terms of potential drift was excellent (1.3 µV/h for 20 h of continuous measurement. The ChPBN proved to be an efficient solid contact to enhance the potential stability of the all-solid-state ion-selective electrode.

  1. Controlled shift in the tautomeric equilibrium of 4-​((phenylimino)​methyl)​naphthalen-​1-​ol

    DEFF Research Database (Denmark)

    Kamounah, Fadhil S.; Deneva, V; Manolova, y

    2013-01-01

    -​((Phenylimino)​methyl)​naphthalen-​1-​ol and 4-​((phenylimino)​methyl)​-​2-​(piperidin-​1-​ylmethyl)​naphthalen-​1-​ol have been synthesized and their tautomeric properties were investigated using mol. spectroscopy (UV-​vis absorption​/emission and NMR)​, X-​ray crystallog. anal. and quantum-​c...

  2. Solid state insurrection how the science of substance made American physics matter

    CERN Document Server

    Martin, Joseph D

    2018-01-01

    Solid state physics—the study of the physical properties of solid matter—was far and away the most populous subfield of Cold War American physics. But despite prolific contributions to consumer and medical technology, such as the transistor and magnetic resonance imaging, it garnered much less professional prestige and public attention than nuclear and particle physics. Solid State Insurrection argues that solid state physics was nonetheless essential to securing the vast social, political, and financial capital Cold War physics enjoyed. Solid state’s technological bent, and its challenge to the “pure science” ideal many physicists cherished, helped physics as a whole respond more readily to Cold War social, political, and economic pressures. Solid state research kept physics economically and technologically relevant, sustaining its lofty cultural standing and policy influence long after the sheen of the Manhattan Project had faded. By placing solid state at the center of the story of twentieth cent...

  3. by a solid-state metathesis approach

    Indian Academy of Sciences (India)

    Wintec

    Department of Mechanical Engineering,. † ... A solid-state metathesis approach initiated by microwave energy has been successfully applied for ... and chemical properties of synthesized powders are determined by powder X-ray diffraction, ...

  4. Solid state protein monolayers: Morphological, conformational, and functional properties

    Science.gov (United States)

    Pompa, P. P.; Biasco, A.; Frascerra, V.; Calabi, F.; Cingolani, R.; Rinaldi, R.; Verbeet, M. Ph.; de Waal, E.; Canters, G. W.

    2004-12-01

    We have studied the morphological, conformational, and electron-transfer (ET) function of the metalloprotein azurin in the solid state, by a combination of physical investigation methods, namely atomic force microscopy, intrinsic fluorescence spectroscopy, and scanning tunneling microscopy. We demonstrate that a "solid state protein film" maintains its nativelike conformation and ET function, even after removal of the aqueous solvent.

  5. Solid State Division progress report, September 30, 1981

    Energy Technology Data Exchange (ETDEWEB)

    1982-04-01

    Progress made during the 19 months from March 1, 1980, through September 30, 1981, is reported in the following areas: theoretical solid state physics (surfaces, electronic and magnetic properties, particle-solid interactions, and laser annealing); surface and near-surface properties of solids (plasma materials interactions, ion-solid interactions, pulsed laser annealing, and semiconductor physics and photovoltaic conversion); defects in solids (radiation effects, fracture, and defects and impurities in insulating crystals); transport properties of solids (fast-ion conductors, superconductivity, and physical properties of insulating materials); neutron scattering (small-angle scattering, lattice dynamics, and magnetic properties); crystal growth and characterization (nuclear waste forms, ferroelectric mateirals, high-temperature materials, and special materials); and isotope research materials. Publications and papers are listed. (WHK)

  6. Solid State Division progress report, September 30, 1981

    International Nuclear Information System (INIS)

    1982-04-01

    Progress made during the 19 months from March 1, 1980, through September 30, 1981, is reported in the following areas: theoretical solid state physics (surfaces, electronic and magnetic properties, particle-solid interactions, and laser annealing); surface and near-surface properties of solids (plasma materials interactions, ion-solid interactions, pulsed laser annealing, and semiconductor physics and photovoltaic conversion); defects in solids (radiation effects, fracture, and defects and impurities in insulating crystals); transport properties of solids (fast-ion conductors, superconductivity, and physical properties of insulating materials); neutron scattering (small-angle scattering, lattice dynamics, and magnetic properties); crystal growth and characterization (nuclear waste forms, ferroelectric mateirals, high-temperature materials, and special materials); and isotope research materials. Publications and papers are listed

  7. Topologically distinct classes of valence-bond solid states with their parent Hamiltonians

    International Nuclear Information System (INIS)

    Tu Honghao; Zhang Guangming; Xiang Tao; Liu Zhengxin; Ng Taikai

    2009-01-01

    We present a general method to construct one-dimensional translationally invariant valence-bond solid states with a built-in Lie group G and derive their matrix product representations. The general strategies to find their parent Hamiltonians are provided so that the valence-bond solid states are their unique ground states. For quantum integer-spin-S chains, we discuss two topologically distinct classes of valence-bond solid states: one consists of two virtual SU(2) spin-J variables in each site and another is formed by using two SO(2S+1) spinors. Among them, a spin-1 fermionic valence-bond solid state, its parent Hamiltonian, and its properties are discussed in detail. Moreover, two types of valence-bond solid states with SO(5) symmetries are further generalized and their respective properties are analyzed as well.

  8. Radiation-chemical aspects of solid state hot atom chemistry

    International Nuclear Information System (INIS)

    Matsuura, T.; Collins, K.E.; Collins, C.H.

    1984-01-01

    The study of nuclear hot atom chemical (NHAC) processes occurring in solids is seriously limited by the lack of adequate methods for directly studying the chemical species containing hot atoms. In the present review the effects of ionizing radiation on parent and non-parent yields from solid state targets is surveyed and qualitative interpretations are given. After a few general remarks of the relationship of radiation chemistry to solid state NHAC, a detailed description of the radiation effects is given (radiation annealing, neutron activation, changes in separable yield). (Auth.)

  9. Solid State Division: Progress report for period ending September 30, 1987

    Energy Technology Data Exchange (ETDEWEB)

    Green, P.H.; Watson, D.M. (eds.)

    1988-03-01

    This paper contains a collection of articles on research done at the Solid State Division of ORNL. General topics covered are: theoretical solid state physics; neutron scattering; physical properties of superconductors and ceramics; synthesis and characterization of solids; ion beam and laser processing; and surface and defect studies. (LSP)

  10. Solid State Division: Progress report for period ending September 30, 1987

    International Nuclear Information System (INIS)

    Green, P.H.; Watson, D.M.

    1988-03-01

    This paper contains a collection of articles on research done at the Solid State Division of ORNL. General topics covered are: theoretical solid state physics; neutron scattering; physical properties of superconductors and ceramics; synthesis and characterization of solids; ion beam and laser processing; and surface and defect studies

  11. Accessing the bottleneck in all-solid state batteries, lithium-ion transport over the solid-electrolyte-electrode interface

    NARCIS (Netherlands)

    Yu, C.; Ganapathy, S.; van Eck, Ernst R H; Wang, H.; Basak, S.; Li, Z.; Wagemaker, M.

    2017-01-01

    Solid-state batteries potentially offer increased lithium-ion battery energy density and safety as required for large-scale production of electrical vehicles. One of the key challenges toward high-performance solid-state batteries is the large impedance posed by the electrode-electrolyte

  12. Solid-State Spectroscopy An Introduction

    CERN Document Server

    Kuzmany, Hans

    2009-01-01

    Spectroscopic methods have opened up a new horizon in our knowledge of solid-state materials. Numerous techniques using electromagnetic radiation or charged and neutral particles have been invented and worked out to a high level in order to provide more detailed information on the solids. The text presented here is an updated description of such methods as they were originally presented in the first edition. It covers linear response of solids to electromagnetic radiation in a frequency range extending from megahertz or gigahertz as used in spin resonance spectroscopy, to infrared spectroscopy and various forms of spectroscopy in the visible and near visible spectral range. It extends to spectroscopy in the UV and x-ray spectral range and eventually several spectroscopic methods are addressed in the frequency range of g radiation. Likewise linear response to irradiation with particles such as electrons, positrons, muons, neutrons, and atoms is discussed. Instrumental and technical background is provided as we...

  13. Solid State Electrochemical DeNOx

    DEFF Research Database (Denmark)

    Kammer Hansen, Kent

    2010-01-01

    The literature on direct electrochemical reduction of NOx in a solid state cell has been reviewed. It is shown that that the reduction of nitric oxide either occurs on the electrode or on the electrolyte if F-centers are formed. It is also shown that some oxide based electrodes has a high apparent...

  14. New fluorescent azo-Schiff base Cu(II) and Zn(II) metal chelates; spectral, structural, electrochemical, photoluminescence and computational studies

    Science.gov (United States)

    Purtas, Fatih; Sayin, Koray; Ceyhan, Gokhan; Kose, Muhammet; Kurtoglu, Mukerrem

    2017-06-01

    A new Schiff base containing azo chromophore group obtained by condensation of 2-hydroxy-4-[(E)-phenyldiazenyl]benzaldehyde with 3,4-dimethylaniline (HL) are used for the syntheses of new copper(II) and zinc(II) chelates, [Cu(L)2], and [Zn(L)2], and characterized by physico-chemical and spectroscopic methods such as 1H and 13C NMR, IR, UV.-Vis. and elemental analyses. The solid state structure of the ligand was characterized by single crystal X-ray diffraction study. X-ray diffraction data was then used to calculate the harmonic oscillator model of aromaticity (HOMA) indexes for the rings so as to investigate of enol-imine and keto-amine tautomeric forms in the solid state. The phenol ring C10-C15 shows a considerable deviation from the aromaticity with HOMA value of 0.837 suggesting the shift towards the keto-amine tautomeric form in the solid state. The analytical data show that the metal to ligand ratio in the chelates was found to be 1:2. Theoretical calculations of the possible isomers of the ligand and two metal complexes are performed by using B3LYP method. Electrochemical and photoluminescence properties of the synthesized azo-Schiff bases were also investigated.

  15. High-power, solid-state rf source for accelerator cavities

    International Nuclear Information System (INIS)

    Vaughan, D.R.; Mols, G.E.; Reid, D.W.; Potter, J.M.

    1985-01-01

    During the past few years the Defense and Electronics Center of Westinghouse Electric Corporation has developed a solid-state, 250-kW peak, rf amplifier for use with the SPS-40 radar system. This system has a pulse length of 60 μs and operates across the frequency band from 400 to 450 MHz. Because of the potential use of such a system as an rf source for accelerator applications, a collaborative experiment was initiated between Los Alamos National Laboratory and Westinghouse to simulate the resonant load conditions of an accelerator cavity. This paper describes the positive results of that experiment as well as the solid-state amplifier architecture. It also explores the future of high-power, solid-state amplifiers as rf sources for accelerator structures

  16. Dynamics of Excited State Proton Transfer in Nitro Substituted 10-Hydroxybenzo[h]quinolines

    DEFF Research Database (Denmark)

    Marciak, H; Hristova, S.; Deneva, V

    2017-01-01

    The ground state tautomerism and excited state intramolecular proton transfer (ESIPT) of 10-hydroxybenzo[h]quinoline (HBQ) and its nitro derivatives, 7-nitrobenzo[h]quinolin-10-ol (2) and 7,9-dinitrobenzo[h]quinolin-10-ol (3), have been studied in acetonitrile using steady state as well as time d...

  17. High Reversibility of Soft Electrode Materials in All-solid-state Batteries

    Directory of Open Access Journals (Sweden)

    Atsushi eSakuda

    2016-05-01

    Full Text Available All-solid-state batteries using inorganic solid electrolytes (SEs are considered to be ideal batteries for electric vehicles (EVs and plug-in hybrid electric vehicles (PHEVs because they are potentially safer than conventional lithium-ion batteries (LIBs. In addition, all-solid-state batteries are expected to have long battery lives owing to the inhibition of chemical side reactions because only lithium ions move through the typically used inorganic SEs. The development of high-energy (more than 300 Wh kg-1 secondary batteries has been eagerly anticipated for years. The application of high-capacity electrode active materials is essential for fabricating such batteries. Recently, we proposed metal polysulfides as new electrode materials. These materials show higher conductivity and density than sulfur, which is advantageous for fabricating batteries with relatively higher energy density. Lithium niobium sulfides, such as Li3NbS4, have relatively high density, conductivity, and rate capability among metal polysulfide materials, and batteries with these materials have capacities high enough to potentially exceed the gravimetric energy density of conventional LIBs.Favorable solid-solid contact between the electrode and electrolyte particles is a key factor for fabricating high performance all-solid-state batteries. Conventional oxide-based positive electrode materials tend to be given rise to cracks during fabrication and/or charge-discharge processes. Here we report all-solid-state cells using lithium niobium sulfide as a positive electrode material, where favorable solid-solid contact was established by using lithium sulfide electrode materials because of their high processability. Cracks were barely observed in the electrode particles in the all-solid-state cells before or after charging and discharging with a high capacity of approx. 400 mAh g-1, suggesting that the lithium niobium sulfide electrode charged and discharged without experiencing

  18. Quantum technologies for solid state physics using cold trapped ions

    International Nuclear Information System (INIS)

    Ferdinand Schmidt-Kaler

    2014-01-01

    The quantum states of ions are perfectly controlled, and may be used for fundamental research in quantum physics, as highlighted by the Nobel Prize given to Dave Wineland in 2012. Two directions of quantum technologies, followed by the Mainz group, have high impact on solid state physics: I) The delivery of single cold ions on demand for the deterministic doping of solid state materials with nm spatial precision to generate design-structures optimized for quantum processors. II) The simulation of solid state relevant Hamiltonians with AMO systems of one or two dimensional arrays of trapped ions. I will talk about the recent progress in both fields. http://www.quantenbit.de/#Number Sign#/publications/(author)

  19. Solid-state nanopores for scanning single molecules and mimicking biology

    NARCIS (Netherlands)

    Kowalczyk, S.W.

    2011-01-01

    Solid-state nanopores, nanometer-size holes in a thin synthetic membrane, are a versatile tool for the detection and manipulation of charged biomolecules. This thesis describes mostly experimental work on DNA translocation through solid-state nanopores, which we study at the single-molecule level.

  20. K. S. Krishnan Memorial Lecture: The role of crystallography in solid state physics

    Energy Technology Data Exchange (ETDEWEB)

    Guinier, A [Paris-11 Univ., 91 - Orsay (France)

    1977-06-01

    The role of crystallography in solving problems in solid state physics, is explained. A few domains in solid state physics such as detection of localized defects, structure of metallic solid solutions, mechanism of phase transitions and the intermediate states between crystalline and amorphous states, have been investigated successfully by X-ray and neutron diffraction methods. The studies have helped a deeper understanding of solid state phenomena. Structures of CuBa, AlZn, ..beta..-alumina etc. are discussed.

  1. Emerging applications of spark plasma sintering in all solid-state lithium-ion batteries and beyond

    Science.gov (United States)

    Zhu, Hongzheng; Liu, Jian

    2018-07-01

    Solid-state batteries have received increasing attention due to their high safety aspect and high energy and power densities. However, the development of solid-state batteries is hindered by inferior solid-solid interfaces between the solid-state electrolyte and electrode, which cause high interfacial resistance, reduced Li-ion and electron transfer rate, and limited battery performance. Recently, spark plasma sintering (SPS) is emerging as a promising technique for fabricating solid-state electrolyte and electrode pellets with clean and intimate solid-solid interfaces. During the SPS process, the unique reaction mechanism through the combination of current, pressure and high heating rate allow the formation of desirable solid-solid interfaces between active material particles. Herein, this work focuses on the overview of the application of SPS for fabricating solid-state electrolyte and electrode in all solid-state Li-ion batteries, and beyond, such as solid-state Li-S and Na-ion batteries. The correlations among SPS parameters, interfacial resistance, and electrochemical properties of solid-state electrolytes and electrodes are discussed for different material systems. In the end, we point out future opportunities and challenges associated with SPS application in the hot area of solid-state batteries. It is expected that this timely review will stimulate more fundamental and applied research in the development of solid-state batteries by SPS.

  2. Fatty acids polymorphism and solid-state miscibility

    Energy Technology Data Exchange (ETDEWEB)

    Gbabode, Gabin [Centre de Physique Moleculaire Optique et Hertzienne, Universite Bordeaux I, 33405 Talence (France)], E-mail: ggbabode@ulb.ac.be; Negrier, Philippe; Mondieig, Denise [Centre de Physique Moleculaire Optique et Hertzienne, Universite Bordeaux I, 33405 Talence (France); Moreno, Evelyn; Calvet, Teresa; Cuevas-Diarte, Miquel Angel [Departament de Cristallografia, Mineralogia i Diposits Minerals, Universitat de Barcelona, 08028 Barcelona (Spain)

    2009-02-05

    The pentadecanoic acid-hexadecanoic acid (C{sub 15}H{sub 29}OOH-C{sub 16}H{sub 31}OOH) binary system is dealt with in this article. The polymorphism of 20 mixed materials has been investigated combining calorimetric measurements, isothermal and versus temperature X-ray powder diffraction and also FTIR spectroscopy. In particular, the cell parameters of the stable forms, temperatures and heats of phase changes for the two constituents and a proposal of phase diagram are given in this article. Three solid forms are created by mixing in addition with the four solid forms of the pure components. All these solid forms are stabilized on narrow domains of composition, implying a reduced solid-state miscibility of the pentadecanoic and hexadecanoic acids.

  3. Solid State Division Progress Report for period ending March 31, 1986

    International Nuclear Information System (INIS)

    Green, P.H.; Watson, D.M.

    1986-08-01

    This report is divided into: theoretical solid-state physics, surface and near-surface properties of solids, defects in solids, transport properties of solids, neutron scattering, and synthesis and properties of novel materials

  4. Solid-state cultivation of Chaetomium cellulolyticum on alkali-pretreated sawdust

    Energy Technology Data Exchange (ETDEWEB)

    Pamment, N; Robinson, C W; Hilton, J; Moo-Young, M

    1978-11-01

    Solid-state fermentations (78% initial moisture content) of alkali-pretreated Eastern Hard Maple sawdust were conducted in tray and tumble fermentors using Chaetomium cellulolyticum. Crude protein content of the solids rose from 0.9 to 11% in the tray fermentor and 8% in the tumble fermentor in 20 days. These levels were almost equal to those achieved in corresponding slurry-state fermentations (1 to 5% (w/v)) of the same substrate. Specific growth rates were two to four times lower in the solid-state fermentors but this was offset by their greater solids-handling capacity: the rate of protein production per unit volume of fermentation mixture was comparable to that of the 5% (w/v) slurry and two to three times higher than that of the 1% (w/v) slurry.

  5. Solid-State Modulators for RF And Fast Kickers

    Energy Technology Data Exchange (ETDEWEB)

    Cook, E.G.; Akana, G.L.; Gower, E.J.; Hawkins, S.A.; Hickman, B.C.; /LLNL, Livermore; Brooksby, C.A.; /NONE - BECHTEL NEVADA LAS VEGAS; Cassel, R.L.; de Lamare, J.E.; Nguyen, M.N.; Pappas, G.C.; /SLAC

    2006-03-14

    As the switching capabilities of solid-state devices increase, these devices are being incorporated into modulator designs for high voltage accelerator applications. Solid-state modulators based on inductive adder circuit topology have demonstrated great versatility with regard to pulse width and pulse repetition rate while maintaining fast pulse rise and fall times. Additionally, these modulators are capable of being scaled to higher output voltage and power levels. An explanation of the basic circuit operation will be presented as well as test data of several different hardware systems.

  6. SOLID-STATE MODULATORS FOR RF AND FAST KICKERS

    International Nuclear Information System (INIS)

    Cook, E G; Akana, G; Gower, E J; Hawkins, S A; Hickman, B C; Brooksby, C A; Cassel, R L; De Lamare, J E; Nguyen, M N; Pappas, G C

    2005-01-01

    As the switching capabilities of solid-state devices increase, these devices are being incorporated into modulator designs for high voltage accelerator applications. Solid-state modulators based on inductive adder circuit topology have demonstrated great versatility with regard to pulse width and pulse repetition rate while maintaining fast pulse rise and fall times. Additionally, these modulators are capable of being scaled to higher output voltage and power levels. An explanation of the basic circuit operation will be presented as well as test data of several different hardware systems

  7. SOLID-STATE MODULATORS FOR RF AND FAST KICKERS

    Energy Technology Data Exchange (ETDEWEB)

    Cook, E G; Akana, G; Gower, E J; Hawkins, S A; Hickman, B C; Brooksby, C A; Cassel, R L; De Lamare, J E; Nguyen, M N; Pappas, G C

    2005-05-05

    As the switching capabilities of solid-state devices increase, these devices are being incorporated into modulator designs for high voltage accelerator applications. Solid-state modulators based on inductive adder circuit topology have demonstrated great versatility with regard to pulse width and pulse repetition rate while maintaining fast pulse rise and fall times. Additionally, these modulators are capable of being scaled to higher output voltage and power levels. An explanation of the basic circuit operation will be presented as well as test data of several different hardware systems.

  8. Solid-State Modulators for RF and Fast Kickers

    CERN Document Server

    Cook, Edward; Brooksby, Craig A; Cassel, Richard; De Lamare, Jeffrey E; Gower, Edward J; Hawkins, Steven; Hickman, Bradley C; Nguyen, Minh N; Pappas, Chris

    2005-01-01

    As the capabilities of solid-state devices increase, these devices are being incorporated into modulator designs for high voltage accelerator applications. Solid-state modulators based on inductive adder circuit topology have demonstrated great versatility with regard to pulse width and pulse repetition rate while maintaining fast pulse rise and fall times. Additionally, these modulators are capable of being scaled to higher output voltage and power levels. An explanation of the basic circuit operation will be presented as well as test data of several different hardware systems.

  9. 4-Carboxyl-2,6-dinitrophenylazohydroxynaphthalenes tautomerism NMR re-explained and other methods verified

    DEFF Research Database (Denmark)

    Hristova, Silvia; Angelova, Silvia; Hansen, Poul Erik

    2017-01-01

    In two consecutive studies the tautomerism in 4-((2-hydroxynaphthalen-1-yl)diazenyl)-3,5-dinitrobenzoic acid and the structurally similar 1-((2-nitrophenyl)diazenyl)naphthalen-2-ol has been considered from viewpoint of theoretical chemistry, UV–Vis spectroscopy and NMR. Although the theoretical...... data (at M062X level) show that both compounds exist only as a keto tautomer, the experiment proves existence of the enol form. The difference in the results obtained by UV–Vis spectroscopy and NMR requires a deeper consideration and verification of the NMR approach, which is based on using model...... compounds to provide the NMR signal pattern of individual tautomers....

  10. Challenges and perspectives of garnet solid electrolytes for all solid-state lithium batteries

    Science.gov (United States)

    Liu, Qi; Geng, Zhen; Han, Cuiping; Fu, Yongzhu; Li, Song; He, Yan-bing; Kang, Feiyu; Li, Baohua

    2018-06-01

    Garnet Li7La3Zr2O12 (LLZO) solid electrolytes recently have attracted tremendous interest as they have the potential to enable all solid-state lithium batteries (ASSLBs) owing to high ionic conductivity (10-3 to 10-4 S cm-1), negligible electronic transport, wide potential window (up to 9 V), and good chemical stability. Here we present the key issues and challenges of LLZO in the aspects of ion conduction property, interfacial compatibility, and stability in air. First, different preparation methods of LLZO are reviewed. Then, recent progress about the improvement of ionic conductivity and interfacial property between LLZO and electrodes are presented. Finally, we list some emerging LLZO-based solid-state batteries and provide perspectives for further research. The aim of this review is to summarize the up-to-date developments of LLZO and lead the direction for future development which could enable LLZO-based ASSLBs.

  11. Sintered Cathodes for All-Solid-State Structural Lithium-Ion Batteries

    Science.gov (United States)

    Huddleston, William; Dynys, Frederick; Sehirlioglu, Alp

    2017-01-01

    All-solid-state structural lithium ion batteries serve as both structural load-bearing components and as electrical energy storage devices to achieve system level weight savings in aerospace and other transportation applications. This multifunctional design goal is critical for the realization of next generation hybrid or all-electric propulsion systems. Additionally, transitioning to solid state technology improves upon battery safety from previous volatile architectures. This research established baseline solid state processing conditions and performance benchmarks for intercalation-type layered oxide materials for multifunctional application. Under consideration were lithium cobalt oxide and lithium nickel manganese cobalt oxide. Pertinent characteristics such as electrical conductivity, strength, chemical stability, and microstructure were characterized for future application in all-solid-state structural battery cathodes. The study includes characterization by XRD, ICP, SEM, ring-on-ring mechanical testing, and electrical impedance spectroscopy to elucidate optimal processing parameters, material characteristics, and multifunctional performance benchmarks. These findings provide initial conditions for implementing existing cathode materials in load bearing applications.

  12. Solid State Division Progress Report for period ending March 31, 1986

    Energy Technology Data Exchange (ETDEWEB)

    Green, P.H.; Watson, D.M. (eds.)

    1986-08-01

    This report is divided into: theoretical solid-state physics, surface and near-surface properties of solids, defects in solids, transport properties of solids, neutron scattering, and synthesis and properties of novel materials. (DLC)

  13. Creatinine and creatininium cation in water solution. Tautomerism and quantitative interpretation of the solution acidity effect on 1H, 13C and 1:4N NMR chemical shifts

    International Nuclear Information System (INIS)

    Kotsyubynskyy, D.; Molchanov, S.; Gryff-Keller, A.

    2004-01-01

    1 H, 13 C and 1 :4N NMR chemical shifts for creatinine in water solution of various acidity have been measured. Analysis of these data enabled determination of the acidity constant of creatininium cation and the chemical shifts of the neutral and protonated forms of creatinine. Molecular energies and carbon and nitrogen magnetic shielding constants for various tautomeric structures of the investigated species have been calculated using the quantum chemistry method GIAO DFT B3LYP/6-311++G(2d,p). Compilation of the available experimental and theoretical results has provided additional information on the problem of tautomerism of this important biological molecule. (author)

  14. Solid state detector design

    International Nuclear Information System (INIS)

    Gunarwan Prayitno; Ahmad Rifai

    2010-01-01

    Much has been charged particle detector radiation detector made by the industry, especially those engaged in the development of detection equipment and components. The development and further research will be made solid state detector with silicon material. To be able to detect charged particles (radiation), required the processing of silicon material into the detector material. The method used to make silicon detector material is a lithium evaporations. Having formed an intrinsic region contactor installation process, and with testing. (author)

  15. Assessment of all-solid-state lithium-ion batteries

    Science.gov (United States)

    Braun, P.; Uhlmann, C.; Weiss, M.; Weber, A.; Ivers-Tiffée, E.

    2018-07-01

    All-solid-state lithium-ion batteries (ASSBs) are considered as next generation energy storage systems. A model might be very useful, which describes all contributions to the internal cell resistance, enables an optimization of the cell design, and calculates the performance of an open choice of cell architectures. A newly developed one-dimensional model for ASSBs is presented, based on a design concept which employs the use of composite electrodes. The internal cell resistance is calculated by linking two-phase transmission line models representing the composite electrodes with an ohmic resistance representing the solid electrolyte (separator). Thereby, electrical parameters, i.e. ionic and electronic conductivity, electrochemical parameters, i.e. charge-transfer resistance at interfaces and lithium solid-state diffusion, and microstructure parameters, i.e. electrode thickness, particle size, interface area, phase composition and tortuosity, are considered as the most important material and design parameters. Subsequently, discharge curves are simulated, and energy- and power-density characteristics of all-solid-state cell architectures are calculated. These model calculations are discussed and compared with experimental data from literature for a high power LiCoO2-Li10GeP2S12/Li10GeP2S12/Li4Ti5O12-Li10GeP2S12 cell.

  16. SOLID STATE ENERGY CONVERSION ALLIANCE (SECA) SOLID OXIDE FUEL CELL PROGRAM

    Energy Technology Data Exchange (ETDEWEB)

    Unknown

    2003-06-01

    This report summarizes the progress made during the September 2001-March 2002 reporting period under Cooperative Agreement DE-FC26-01NT41245 for the U. S. Department of Energy, National Energy Technology Laboratory (DOE/NETL) entitled ''Solid State Energy Conversion Alliance (SECA) Solid Oxide Fuel Cell Program''. The program focuses on the development of a low-cost, high-performance 3-to-10-kW solid oxide fuel cell (SOFC) system suitable for a broad spectrum of power-generation applications. The overall objective of the program is to demonstrate a modular SOFC system that can be configured to create highly efficient, cost-competitive, and environmentally benign power plants tailored to specific markets. When fully developed, the system will meet the efficiency, performance, life, and cost goals for future commercial power plants.

  17. Renormalization methods in solid state physics

    Energy Technology Data Exchange (ETDEWEB)

    Nozieres, P [Institut Max von Laue - Paul Langevin, 38 - Grenoble (France)

    1976-01-01

    Renormalization methods in various solid state problems (e.g., the Kondo effect) are analyzed from a qualitative vantage point. Our goal is to show how the renormalization procedure works, and to uncover a few simple general ideas (universality, phenomenological descriptions, etc...).

  18. Characterization of photo-induced valence tautomerism in a cobalt-dioxolene complex by ultrafast spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Beni, A [Dipartimento di Chimica, Universita di Firenze, via della Lastruccia 3, 50019 Sesto Fiorentino, Florence (Italy); Bogani, L [Dipartimento di Chimica, Universita di Firenze, via della Lastruccia 3, 50019 Sesto Fiorentino, Florence (Italy); Bussotti, L [LENS, Universita di Firenze, Via Nello Carrara 1, 50019 Sesto Fiorentino, Florence (Italy); Dei, A [Dipartimento di Chimica, Universita di Firenze, via della Lastruccia 3, 50019 Sesto Fiorentino, Florence (Italy); Gentili, P L [LENS, Universita di Firenze, Via Nello Carrara 1, 50019 Sesto Fiorentino, Florence (Italy); Righini, R [Dipartimento di Chimica, Universita di Firenze, via della Lastruccia 3, 50019 Sesto Fiorentino, Florence (Italy)

    2005-01-01

    The valence tautomerism of low-spin Co{sup III}(Cat-N-BQ)(Cat-N-SQ) was investigated by means of UV-vis pump-probe transient absorption spectroscopy in chloroform. By exciting the CT transition of the complex at 480 nm, an intramolecular electron transfer process is selectively triggered. The photo-induced charge transfer is pursued by a cascade of two main molecular events characterized by the ultrafast transient absorption spectroscopy: the first gives rise to the metastable high-spin Co{sup II}(Cat-N-BQ){sub 2} that, secondly, reaches the chemical equilibrium with the reactant species.

  19. What would Edison do with solid state lighting?

    Science.gov (United States)

    Ferguson, Ian T.; Melton, Andrew; Xu, Tianming; Jamil, Muhammad; Fenwick, Will

    2010-08-01

    Thomas Edison is widely regarded as the greatest inventor in history and the most prominent individual behind the invention of the electric light. His impressive characteristics as an individual that led to his amazing success as an innovator continue to be an inspiration for researchers today. This paper considers how Edison might proceed in developing solid state lighting into a technology capable of displacing incumbent light sources, including his own incandescent lamps, then reviews some of the "Edison-like" contributions made to solid state lighting by the Next Generation Lighting research program at Georgia Tech.

  20. The LiBH4-LiI Solid Solution as an Electrolyte in an All-Solid-State Battery

    DEFF Research Database (Denmark)

    Sveinbjörnsson, Dadi Þorsteinn; Christiansen, Ane Sælland; Viskinde, Rasmus

    2014-01-01

    The charge and discharge performance of an all-solid-state lithium battery with the LiBH4-LiI solid solution as an electrolyte is reported. Lithium titanate (Li4Ti5O12) was used as the positive electrode and lithium metal as the negative electrode. The performance of the all-solid-state cell...

  1. ''Solid-state fusion'' effects

    International Nuclear Information System (INIS)

    Thompson, D.T.

    1990-01-01

    The ''Solid-State Fusion'' or ''Cold Fusion'' phenomenon, including excess heat generation and the production of nuclear particles, was first reported by Professors Martin Fleischmann and B. Stanley Pons in March 1989. The phenomenon described (the anomalous effects observed when deuterium oxide (heavy water) is electrolysed using a palladium cathode and a platinum anode in the presence of lithium deuteroxide) has many fascinating facets, not least of which is the fact that investigators are unable to produce the effects ''on demand''. Many of the experimental variables which seem to be significant were described and discussed at the ''First Annual Conference on Cold Fusion'' which was held in Salt Lake City, Utah, USA, from 29th to 31st March 1990. The information presented at the conference is summarised here. Some papers addressed the excess heat effects observed, some the nuclear particles, and others the theoretical aspects. These are reviewed. At the end of the conference Fleischmann summarised all the areas where apparent evidence for solid state fusion had been obtained during the past year, namely: excess enthalpy, bursts in enthalpy; tritium, bursts in tritium; neutrons, bursts in neutrons; X-rays, gamma rays and bursts in these. He recommended that emphasis should now be concentrated on confirming reaction products, such as He 4 . New theories were emerging, but one year was too short a time in which to evaluate them fully. (author)

  2. Interim report on the state-of-the-art of solid-state motor controllers. Part 4. Failure-rate and failure-mode data

    International Nuclear Information System (INIS)

    Jaross, R.A.

    1983-09-01

    An assessment of the reliability of solid-state motor controllers for nuclear power plants is made. Available data on failure-rate and failure-mode data for solid-state motor controllers based on industrial operating experience is meager; the data are augmented by data on other solid-state power electronic devices that are shown to have components similar to those found in solid-state motor controllers. In addition to large nonnuclear solid-state adjustable-speed motor drives, the reliability of nuclear plant inverter systems and high-voltage solid-state dc transmission-line converters is assessed. Licensee Event Report analyses from several sources, the open literature, and personal communications are used to determine the realiability of solid-state devices typical of those expected to be used in nuclear power plants in terms of failures per hour

  3. High Energy Solid State Laser Research Facility

    Data.gov (United States)

    Federal Laboratory Consortium — A suite of laboratories with advanced spectroscopic and laser equipment, this facility develops materials and techniques for advanced solid state high energy lasers....

  4. Pulsed Power for Solid-State Lasers

    Energy Technology Data Exchange (ETDEWEB)

    Gagnon, W; Albrecht, G; Trenholme, J; Newton, M

    2007-04-19

    Beginning in the early 1970s, a number of research and development efforts were undertaken at U.S. National Laboratories with a goal of developing high power lasers whose characteristics were suitable for investigating the feasibility of laser-driven fusion. A number of different laser systems were developed and tested at ever larger scale in pursuit of the optimum driver for laser fusion experiments. Each of these systems had associated with it a unique pulsed power option. A considerable amount of original and innovative engineering was carried out in support of these options. Ultimately, the Solid-state Laser approach was selected as the optimum driver for the application. Following this, the Laser Program at the Lawrence Livermore National Laboratory and the University of Rochester undertook aggressive efforts directed at developing the technology. In particular, at Lawrence Livermore National Laboratory, a series of laser systems beginning with the Cyclops laser and culminating in the present with the National Ignition Facility were developed and tested. As a result, a large amount of design information for solid-state laser pulsed power systems has been documented. Some of it is in the form of published papers, but most of it is buried in internal memoranda, engineering reports and LLNL annual reports. One of the goals of this book is to gather this information into a single useable format, such that it is easily accessed and understood by other engineers and physicists for use with future designs. It can also serve as a primer, which when seriously studied, makes the subsequent reading of original work and follow-up references considerably easier. While this book deals only with the solid-state laser pulsed power systems, in the bibliography we have included a representative cross section of papers and references from much of the very fine work carried out at other institutions in support of different laser approaches. Finally, in recent years, there has

  5. Proceedings of 5. scientific conference on solid state physics. Vol. 2

    International Nuclear Information System (INIS)

    1999-01-01

    The 5. Kazakhstan scientific conference on solid state physics was held on 28-30 October, 1999 in Karaganda. Scientists and researchers from Russian Federation, Kazakhstan, Estonia present various reports on different problems of solid state physics

  6. Phosphate Phosphors for Solid-State Lighting

    CERN Document Server

    Shinde, Kartik N; Swart, H C; Park, Kyeongsoon

    2012-01-01

    The idea for this book arose out of the realization that, although excellent surveys and a phosphor handbook are available, there is no single source covering the area of phosphate based phosphors especially for lamp industry. Moreover, as this field gets only limited attention in most general books on luminescence, there is a clear need for a book in which attention is specifically directed toward this rapidly growing field of solid state lighting and its many applications. This book is aimed at providing a sound introduction to the synthesis and optical characterization of phosphate phosphor for undergraduate and graduate students as well as teachers and researchers. The book provides guidance through the multidisciplinary field of solid state lighting specially phosphate phosphors for beginners, scientists and engineers from universities, research organizations, and especially industry. In order to make it useful for a wide audience, both fundamentals and applications are discussed, together.

  7. Solid-State NMR Investigation of Drug-Excipient Interactions and Phase Behavior in Indomethacin-Eudragit E Amorphous Solid Dispersions.

    Science.gov (United States)

    Lubach, Joseph W; Hau, Jonathan

    2018-02-20

    To investigate the nature of drug-excipient interactions between indomethacin (IMC) and methacrylate copolymer Eudragit® E (EE) in the amorphous state, and evaluate the effects on formulation and stability of these amorphous systems. Amorphous solid dispersions containing IMC and EE were spray dried with drug loadings from 20% to 90%. PXRD was used to confirm the amorphous nature of the dispersions, and DSC was used to measure glass transition temperatures (T g ). 13 C and 15 N solid-state NMR was utilized to investigate changes in local structure and protonation state, while 1 H T 1 and T 1ρ relaxation measurements were used to probe miscibility and phase behavior of the dispersions. T g values for IMC-EE solid dispersions showed significant positive deviations from predicted values in the drug loading range of 40-90%, indicating a relatively strong drug-excipient interaction. 15 N solid-state NMR exhibited a change in protonation state of the EE basic amine, with two distinct populations for the EE amine at -360.7 ppm (unprotonated) and -344.4 ppm (protonated). Additionally, 1 H relaxation measurements showed phase separation at high drug load, indicating an amorphous ionic complex and free IMC-rich phase. PXRD data showed all ASDs up to 90% drug load remained physically stable after 2 years. 15 N solid-state NMR experiments show a change in protonation state of EE, indicating that an ionic complex indeed forms between IMC and EE in amorphous solid dispersions. Phase behavior was determined to exhibit nanoscale phase separation at high drug load between the amorphous ionic complex and excess free IMC.

  8. Division of solid state physics

    International Nuclear Information System (INIS)

    Beckman, O.

    1983-09-01

    This report gives a survey of the present research projects at the division of solid state physics, Inst. of Technology, Uppsala University. The projects fall within the fields of magnetism, i.e. spin glasses, ordered magnetic structures and itinerant electron magnetism, and optics, i.e. properties of crystalline and amorphous materials for selective transmission and absorption in connection with energy-related research. (author)

  9. Solid-state fermentation: a continuous process for fungal tannase production.

    Science.gov (United States)

    van de Lagemaat, J; Pyle, D L

    2004-09-30

    Truly continuous solid-state fermentations with operating times of 2-3 weeks were conducted in a prototype bioreactor for the production of fungal (Penicillium glabrum) tannase from a tannin-containing model substrate. Substantial quantities of the enzyme were synthesized throughout the operating periods and (imperfect) steady-state conditions seemed to be achieved soon after start-up of the fermentations. This demonstrated for the first time the possibility of conducting solid-state fermentations in the continuous mode and with a constant noninoculated feed. The operating variables and fermentation conditions in the bioreactor were sufficiently well predicted for the basic reinoculation concept to succeed. However, an incomplete understanding of the microbial mechanisms, the experimental system, and their interaction indicated the need for more research in this novel area of solid-state fermentation. Copyright 2004 Wiley Periodicals, Inc.

  10. Wobble↔Watson-Crick tautomeric transitions in the homo-purine DNA mismatches: a key to the intimate mechanisms of the spontaneous transversions.

    Science.gov (United States)

    Brovarets', Ol'ha O; Hovorun, Dmytro M

    2015-01-01

    The intrinsic capability of the homo-purine DNA base mispairs to perform wobble↔Watson-Crick/Topal-Fresco tautomeric transitions via the sequential intrapair double proton transfer was discovered for the first time using QM (MP2/DFT) and QTAIM methodologies that are crucial for understanding the microstructural mechanisms of the spontaneous transversions.

  11. Heterogeneous Ferroelectric Solid Solutions Phases and Domain States

    CERN Document Server

    Topolov, Vitaly

    2012-01-01

    The book deals with perovskite-type ferroelectric solid solutions for modern materials science and applications, solving problems of complicated heterophase/domain structures near the morphotropic phase boundary and applications to various systems with morphotropic phases. In this book domain state–interface diagrams are presented for the interpretation of heterophase states in perovskite-type ferroelectric solid solutions. It allows to describe the stress relief in the presence of polydomain phases, the behavior of unit-cell parameters of coexisting phases and the effect of external electric fields. The novelty of the book consists in (i) the first systematization of data about heterophase states and their evolution in ferroelectric solid solutions (ii) the general interpretation of heterophase and domain structures at changing temperature, composition or electric field (iii) the complete analysis of interconnection domain structures, unit-cell parameters changes, heterophase structures and stress relief.

  12. Solid-state NMR studies of form I of atorvastatin calcium.

    Science.gov (United States)

    Wang, Wei David; Gao, Xudong; Strohmeier, Mark; Wang, Wei; Bai, Shi; Dybowski, Cecil

    2012-03-22

    Solid-state (13)C, (19)F, and (15)N magic angle spinning NMR studies of Form I of atorvastatin calcium are reported, including chemical shift tensors of all resolvable carbon sites and fluorine sites. The complete (13)C and (19)F chemical shift assignments are given based on an extensive analysis of (13)C-(1)H HETCOR and (13)C-(19)F HETCOR results. The solid-state NMR data indicate that the asymmetric unit of this material contains two atorvastatin molecules. A possible structure of Form I of atorvastatin calcium (ATC-I), derived from solid-state NMR data and density functional theory calculations of various structures, is proposed for this important active pharmaceutical ingredient (API).

  13. Microelectronics: Atoms diffusion in solid state. Part 1

    International Nuclear Information System (INIS)

    Lopez Higuera, J.M.

    1988-01-01

    The fundamentals on which the technology for the diffusion of impurities in solid state is based, is presented. This technology is widely used to produce controlled and localized concentrations of atoms of the mentioned impurities in base solids in order to obtain those characteristics which may lead to the implementation of electronic, optoelectronic and electrooptic devices. (Author)

  14. Advanced Solid State Lighting for Human Evaluation

    Data.gov (United States)

    National Aeronautics and Space Administration — Lighting intensity and color have a significant impact on human circadian rhythms.  Advanced solid state lighting was developed for the Advanced Exploration System...

  15. High power all solid state VUV lasers

    International Nuclear Information System (INIS)

    Zhang, Shen-jin; Cui, Da-fu; Zhang, Feng-feng; Xu, Zhi; Wang, Zhi-min; Yang, Feng; Zong, Nan; Tu, Wei; Chen, Ying; Xu, Hong-yan; Xu, Feng-liang; Peng, Qin-jun; Wang, Xiao-yang; Chen, Chuang-tian; Xu, Zu-yan

    2014-01-01

    Highlights: • Polarization and pulse repetition rate adjustable ps 177.3 nm laser was developed. • Wavelength tunable ns, ps and fs VUV lasers were developed. • High power ns 177.3 nm laser with narrow linewidth was investigated. - Abstract: We report the investigation on the high power all solid state vacuum ultra-violet (VUV) lasers by means of nonlinear frequency conversion with KBe 2 BO 3 F 2 (KBBF) nonlinear crystal. Several all solid state VUV lasers have developed in our group, including polarization and pulse repetition rate adjustable picosecond 177.3 nm VUV laser, wavelength tunable nanosecond, picosecond and femtosecond VUV lasers, high power ns 177.3 nm laser with narrow linewidth. The VUV lasers have impact, accurate and precise advantage

  16. Fundamental characteristics of degradation-recoverable solid-state DFB polymer laser.

    Science.gov (United States)

    Yoshioka, Hiroaki; Yang, Yu; Watanabe, Hirofumi; Oki, Yuji

    2012-02-13

    A novel solid-state dye laser with degradation recovery was proposed and demonstrated. Polydimethylsiloxane was used as a nanoporous solid matrix to enable the internal circulation of dye molecules in the solid state. An internal circulation model for the dye molecules was also proposed and verified numerically by assuming molecular mobility and using a proposed diffusion equation. The durability of the laser was increased 20.5-fold compared with that of a conventional polymethylmethacrylate laser. This novel laser solves the low-durability problem of dye-doped polymer lasers.

  17. Solid-state fermentation - A mini review

    NARCIS (Netherlands)

    Smits, J.P.; Sonsbeek, H.M.; Rinzema, A.; Tramper, J.

    1998-01-01

    The increasing interests in biotechnology for the application of fungi on the one hand, and for cheap agricultural products on the other, can be combined in so-called solid-state fermentation (SSF). SSF resembles a close to natural habitat for filamentous microorganisms and can be applied to

  18. Solid-state electronic devices an introduction

    CERN Document Server

    Papadopoulos, Christo

    2014-01-01

    A modern and concise treatment of the solid state electronic devices that are fundamental to electronic systems and information technology is provided in this book. The main devices that comprise semiconductor integrated circuits are covered in a clear manner accessible to the wide range of scientific and engineering disciplines that are impacted by this technology. Catering to a wider audience is becoming increasingly important as the field of electronic materials and devices becomes more interdisciplinary, with applications in biology, chemistry and electro-mechanical devices (to name a few) becoming more prevalent. Updated and state-of-the-art advancements are included along with emerging trends in electronic devices and their applications. In addition, an appendix containing the relevant physical background will be included to assist readers from different disciplines and provide a review for those more familiar with the area. Readers of this book can expect to derive a solid foundation for understanding ...

  19. Solid-state single-photon emitters

    Science.gov (United States)

    Aharonovich, Igor; Englund, Dirk; Toth, Milos

    2016-10-01

    Single-photon emitters play an important role in many leading quantum technologies. There is still no 'ideal' on-demand single-photon emitter, but a plethora of promising material systems have been developed, and several have transitioned from proof-of-concept to engineering efforts with steadily improving performance. Here, we review recent progress in the race towards true single-photon emitters required for a range of quantum information processing applications. We focus on solid-state systems including quantum dots, defects in solids, two-dimensional hosts and carbon nanotubes, as these are well positioned to benefit from recent breakthroughs in nanofabrication and materials growth techniques. We consider the main challenges and key advantages of each platform, with a focus on scalable on-chip integration and fabrication of identical sources on photonic circuits.

  20. Applied solid state science advances in materials and device research

    CERN Document Server

    Wolfe, Raymond

    2013-01-01

    Applied Solid State Science: Advances in Materials and Device Research, Volume 1 presents articles about junction electroluminescence; metal-insulator-semiconductor (MIS) physics; ion implantation in semiconductors; and electron transport through insulating thin films. The book describes the basic physics of carrier injection; energy transfer and recombination mechanisms; state of the art efficiencies; and future prospects for light emitting diodes. The text then discusses solid state spectroscopy, which is the pair spectra observed in gallium phosphide photoluminescence. The extensive studies

  1. Development of the plastic solid-dye cell for tunable solid-state dye lasers and study on its optical properties

    Energy Technology Data Exchange (ETDEWEB)

    Ko, Do Kyeong; Lee, Jong Min; Cha, Byung Heon; Yi, Jong Hoon; Lee, Kang Soo; Kim, Sung Ho; Lim, Gwon

    2000-01-01

    We have fabricated solid-state dyes with Copolex NK-55, which is the base element of plastic lens, and PMMA. We have measured the longevity of solid-state dyes doped in both polymers and found that PMMA has better properties than Coploex NK-55. We have realized the tuning range of 560-620 nm by doping rhodamine 6Gand rhodamin B in the manufactured solid-state dye laser oscillators. In the standing-wave cavity we achieved the slop efficiency of 10.8 percent and in the grazing incidence cavity, 1.2 percent. We have constructed a very compact grazing- incidence cavity which is only 6 cm long and the linewidth of the laser was less than 1.5 GHz with 3-ns pulse duration. And we have fabricated disk-type solid-state dye cell and installed it in the cavity in which the dye cell can be translated and rotated with the help of the two steeping motors. By this we could constantly changed the illuminated area of the dye cell and , therefore, were able to achieve long time operation and to use almost the entire region of the solid-state dye cell. (author)

  2. Development of the plastic solid-dye cell for tunable solid-state dye lasers and study on its optical properties

    International Nuclear Information System (INIS)

    Ko, Do Kyeong; Lee, Jong Min; Cha, Byung Heon; Yi, Jong Hoon; Lee, Kang Soo; Kim, Sung Ho; Lim, Gwon

    2000-01-01

    We have fabricated solid-state dyes with Copolex NK-55, which is the base element of plastic lens, and PMMA. We have measured the longevity of solid-state dyes doped in both polymers and found that PMMA has better properties than Coploex NK-55. We have realized the tuning range of 560-620 nm by doping rhodamine 6G and rhodamin B in the manufactured solid-state dye laser oscillators. In the standing-wave cavity we achieved the slop efficiency of 10.8 percent and in the grazing incidence cavity, 1.2 percent. We have constructed a very compact grazing- incidence cavity which is only 6 cm long and the linewidth of the laser was less than 1.5 GHz with 3-ns pulse duration. And we have fabricated disk-type solid-state dye cell and installed it in the cavity in which the dye cell can be translated and rotated with the help of the two steeping motors. By this we could constantly changed the illuminated area of the dye cell and , therefore, were able to achieve long time operation and to use almost the entire region of the solid-state dye cell. (author)

  3. Mathematical modeling of ethanol production in solid-state fermentation based on solid medium' dry weight variation.

    Science.gov (United States)

    Mazaheri, Davood; Shojaosadati, Seyed Abbas; Zamir, Seyed Morteza; Mousavi, Seyyed Mohammad

    2018-04-21

    In this work, mathematical modeling of ethanol production in solid-state fermentation (SSF) has been done based on the variation in the dry weight of solid medium. This method was previously used for mathematical modeling of enzyme production; however, the model should be modified to predict the production of a volatile compound like ethanol. The experimental results of bioethanol production from the mixture of carob pods and wheat bran by Zymomonas mobilis in SSF were used for the model validation. Exponential and logistic kinetic models were used for modeling the growth of microorganism. In both cases, the model predictions matched well with the experimental results during the exponential growth phase, indicating the good ability of solid medium weight variation method for modeling a volatile product formation in solid-state fermentation. In addition, using logistic model, better predictions were obtained.

  4. 40 CFR 256.02 - Scope of the State solid waste management plan.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 24 2010-07-01 2010-07-01 false Scope of the State solid waste management plan. 256.02 Section 256.02 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) SOLID WASTES GUIDELINES FOR DEVELOPMENT AND IMPLEMENTATION OF STATE SOLID WASTE MANAGEMENT PLANS Purpose, General Requirements, Definitions § 256.0...

  5. SOLID STATE ENERGY CONVERSION ALLIANCE (SECA) SOLID OXIDE FUEL CELL PROGRAM

    Energy Technology Data Exchange (ETDEWEB)

    Nguyen Minh; Jim Powers

    2003-10-01

    This report summarizes the work performed for April 2003--September 2003 reporting period under Cooperative Agreement DE-FC26-01NT41245 for the U.S. Department of Energy, National Energy Technology Laboratory (DOE/NETL) entitled ''Solid State Energy Conversion Alliance (SECA) Solid oxide Fuel Cell Program''. During this reporting period, the conceptual system design activity was completed. The system design, including strategies for startup, normal operation and shutdown, was defined. Sealant and stack materials for the solid oxide fuel cell (SOFC) stack were identified which are capable of meeting the thermal cycling and degradation requirements. A cell module was tested which achieved a stable performance of 0.238 W/cm{sup 2} at 95% fuel utilization. The external fuel processor design was completed and fabrication begun. Several other advances were made on various aspects of the SOFC system, which are detailed in this report.

  6. Radioactive isotopes in solid-state physics

    CERN Document Server

    Deicher, M

    2002-01-01

    Radioactive atoms have been used in solid-state physics and in material science for many decades. Besides their classical application as tracer for diffusion studies, nuclear techniques such as M\\"ossbauer spectroscopy, perturbed angular correlation, $\\beta$-NMR, and emission channelling have used nuclear properties (via hyperfine interactions or emitted particles) to gain microscopical information on the structural and dynamical properties of solids. During the last decade, the availability of many different radioactive isotopes as a clean ion beam at ISOL facilities such as ISOLDE at CERN has triggered a new era involving methods sensitive for the optical and electronic properties of solids, especially in the field of semiconductor physics. Extremely sensitive spectroscopic techniques like deep-level transient spectroscopy (DLTS), photoluminescence (PL), and Hall effect have gained a new quality by using radioactive isotopes. Because of their decay the chemical origin of an observed electronic and optical b...

  7. BOOK REVIEW: Solid State Physics: An Introduction

    Science.gov (United States)

    Jakoby, Bernhard

    2009-07-01

    There's a wealth of excellent textbooks on solid state physics. The author of the present book is well aware of this fact and does not attempt to write just another one. Rather, he has provided a very compact introduction to solid state physics for third-year students. As we are faced with the continuous appearance interdisciplinary fields and associated study curricula in natural and engineering sciences (biophysics, mechatronics, etc), a compact text in solid state physics would be appreciated by students of these disciplines as well. The book features 11 chapters where each is provided with supplementary discussion questions and problems. The first chapters deal with a review of chemical bonding mechanisms, crystal structures and mechanical properties of solids, which are brief but by no means superficial. The following, somewhat more detailed chapter on thermal properties of lattices includes a nice introduction to phonons. The foundations of solid state electronics are treated in the next three chapters. Here the author first discusses the classical treatment of electronic behaviour in metals (Drude model) and continues with a quantum-theoretical approach starting with the free-electron model and leading to the band structures in conductive solids. The next chapter is devoted to semiconductors and ends with a brief but, with respect to the topical scope, adequate discussion of semiconductor devices. The classical topics of magnetic and dielectric behaviour are treated in the sequel. The book closes with a chapter on superconductivity and a brief chapter covering the modern topics of quantum confinement and aspects of nanoscale physics. In my opinion, the author has succeeded in creating a very concise yet not superficial textbook. The account presented often probes subjects deep enough to lay the basis for a thorough understanding, preparing the reader for more specialized textbooks. For instance, I think that this book may serve as an excellent first

  8. Solid state optical microscope

    Science.gov (United States)

    Young, Ian T.

    1983-01-01

    A solid state optical microscope wherein wide-field and high-resolution images of an object are produced at a rapid rate by utilizing conventional optics with a charge-coupled photodiode array. A galvanometer scanning mirror, for scanning in one of two orthogonal directions is provided, while the charge-coupled photodiode array scans in the other orthogonal direction. Illumination light from the object is incident upon the photodiodes, creating packets of electrons (signals) which are representative of the illuminated object. The signals are then processed, stored in a memory, and finally displayed as a video signal.

  9. High average power solid state laser power conditioning system

    International Nuclear Information System (INIS)

    Steinkraus, R.F.

    1987-01-01

    The power conditioning system for the High Average Power Laser program at Lawrence Livermore National Laboratory (LLNL) is described. The system has been operational for two years. It is high voltage, high power, fault protected, and solid state. The power conditioning system drives flashlamps that pump solid state lasers. Flashlamps are driven by silicon control rectifier (SCR) switched, resonant charged, (LC) discharge pulse forming networks (PFNs). The system uses fiber optics for control and diagnostics. Energy and thermal diagnostics are monitored by computers

  10. Diode-pumped solid state laser for inertial fusion energy

    International Nuclear Information System (INIS)

    Payne, S.A.; Krupke, W.F.; Orth, C.D.

    1994-11-01

    The authors evaluate the prospect for development of a diode-pumped solid-state-laser driver in an inertial fusion energy power plant. Using a computer code, they predict that their 1 GWe design will offer electricity at 8.6 cents/kW · hr with the laser operating at 8.6% efficiency and the recycled power level at 31%. The results of their initial subscale experimental testbed of a diode-pumped solid state laser are encouraging, demonstrating good efficiencies and robustness

  11. Synergies Connecting the Photovoltaics and Solid-State Lighting Industries

    Energy Technology Data Exchange (ETDEWEB)

    Kurtz, S.

    2003-05-01

    Recent increases in the efficiencies of phosphide, nitride, and organic light-emitting diodes (LEDs) inspire a vision of a revolution in lighting. If high efficiencies, long lifetimes, and low cost can be achieved, solid-state lighting could save our country many quads of electricity in the coming years. The solid-state lighting (SSL) and photovoltaic (PV) industries share many of the same challenges. This paper explores the similarities between the two industries and how they might benefit by sharing information.

  12. Excited state populations and charge-exchange of fast ions in solids

    International Nuclear Information System (INIS)

    Miller, P.D.; Sofield, C.J.; Woods, C.J.

    1984-01-01

    Excited state populations and charge state fractions of 445 MeV Cl ions have been measured for a range of thicknesses of solid C targets. Cross sections for electron capture, loss, excitation and excited state quenching have been determined and these data are found to predict a quantitative difference between equilibrium charge state distributions from gases and solids for a special case of the Bohr-Lindhard density effect model. 8 references, 1 figure, 1 table

  13. A multi-phase equation of state for solid and liquid lead

    International Nuclear Information System (INIS)

    Robinson, C.M.

    2004-01-01

    This paper considers a multi-phase equation of state for solid and liquid lead. The thermodynamically consistent equation of state is constructed by calculating separate equations of state for the solid and liquid phases. The melt curve is the curve in the pressure, temperature plane where the Gibb's free energy of the solid and liquid phases are equal. In each phase a complete equation of state is obtained using the assumptions that the specific heat capacity is constant and that the Grueneisen parameter is proportional to the specific volume. The parameters for the equation of state are obtained from experimental data. In particular they are chosen to match melt curve and principal Hugoniot data. Predictions are made for the shock pressure required for melt to occur on shock and release

  14. Solid-state cavity quantum electrodynamics using quantum dots

    International Nuclear Information System (INIS)

    Gerard, J.M.; Gayral, B.; Moreau, E.; Robert, I.; Abram, I.

    2001-01-01

    We review the recent development of solid-state cavity quantum electrodynamics using single self-assembled InAs quantum dots and three-dimensional semiconductor microcavities. We discuss first prospects for observing a strong coupling regime for single quantum dots. We then demonstrate that the strong Purcell effect observed for single quantum dots in the weak coupling regime allows us to prepare emitted photons in a given state (the same spatial mode, the same polarization). We present finally the first single-mode solid-state source of single photons, based on an isolated quantum dot in a pillar microcavity. This optoelectronic device, the first ever to rely on a cavity quantum electrodynamics effect, exploits both Coulomb interaction between trapped carriers in a single quantum dot and single mode photon tunneling in the microcavity. (author)

  15. Advances in solid-state NMR of cellulose.

    Science.gov (United States)

    Foston, Marcus

    2014-06-01

    Nuclear magnetic resonance (NMR) spectroscopy is a well-established analytical and enabling technology in biofuel research. Over the past few decades, lignocellulosic biomass and its conversion to supplement or displace non-renewable feedstocks has attracted increasing interest. The application of solid-state NMR spectroscopy has long been seen as an important tool in the study of cellulose and lignocellulose structure, biosynthesis, and deconstruction, especially considering the limited number of effective solvent systems and the significance of plant cell wall three-dimensional microstructure and component interaction to conversion yield and rate profiles. This article reviews common and recent applications of solid-state NMR spectroscopy methods that provide insight into the structural and dynamic processes of cellulose that control bulk properties and biofuel conversion. Copyright © 2014 Elsevier Ltd. All rights reserved.

  16. Solid state dye-sensitized solar cells. Current state of the art. Challenges and opportunities

    Energy Technology Data Exchange (ETDEWEB)

    Lenzmann, F.O.; Olson, C.L.; Goris, M.J.A.A.; Kroon, J.M. [ECN Solar Energy, Petten (Netherlands)

    2008-09-15

    The first generation of dye-sensitized solar cell technology is based on a liquid electrolyte component. Today, this technology is on the verge of commercialization. The step towards the market and real applications is supported by the prospect of low manufacturing costs, good efficiency as well as the expectation that the current stability level of this technology is at least sufficient for applications in mobile electronics. These favorable developments may be reinforced and accelerated even further, if the corrosive liquid electrolyte could be replaced by a non-corrosive solid, since this would ease a number of stringent requirements in the production process. A successful exchange of the liquid electrolyte by a solid-state holeconductor requires to at least maintain, preferably improve, the most relevant technical parameters of the solar cell (efficiency, stability, cost). First pioneering work with solid-state hole conductors was carried out 10 years ago with an initial efficiency level below 1%. Until 2007, the record efficiency could be improved to 5%. This paper gives an overview of the solid-state concept as an early stage approach with good perspectives for the mid-term future (5-10 years)

  17. Solid State Ionic Materials - Proceedings of the 4th Asian Conference on Solid State Ionics

    Science.gov (United States)

    Chowdari, B. V. R.; Yahaya, M.; Talib, I. A.; Salleh, M. M.

    1994-07-01

    The Table of Contents for the full book PDF is as follows: * Preface * I. INVITED PAPERS * Diffusion of Cations and Anions in Solid Electrolytes * Silver Ion Conductors in the Crystalline State * NMR Studies of Superionic Conductors * Hall Effect and Thermoelectric Power in High Tc Hg-Ba-Ca-Cu-O Ceramics * Solid Electrolyte Materials Prepared by Sol-Gel Chemistry * Preparation of Proton-Conducting Gel Films and their Application to Electrochromic Devices * Thin Film Fuel Cells * Zirconia based Solid Oxide Ion Conductors in Solid Oxide Fuel Cells * The Influence of Anion Substitution on Some Phosphate-based Ion Conducting Glasses * Lithium Intercalation in Carbon Electrodes and its Relevance in Rocking Chair Batteries * Chemical Sensors using Proton Conducting Ceramics * NMR/NQR Studies of Y-Ba-Cu-O Superconductors * Silver Molybdate Glasses and Battery Systems * New Highly Conducting Polymer Ionics and their Application in Electrochemical Devices * Study of Li Electrokinetics on Oligomeric Electrolytes using Microelectrodes * Calculation of Conductivity for Mixed-Phase Electrolytes PEO-MX-Immiscible Additive by Means of Effective Medium Theory * II. CONTRIBUTED PAPERS * Phase Relationship and Electrical Conductivity of Sr-V-O System with Vanadium Suboxide * Amorphous Li+ Ionic Conductors in Li2SO4-Li2O-P2O5 System * Fast Ion Transport in KCl-Al2O3 Composites * The Effect of the Second Phase Precipitation on the Ionic Conductivity of Zr0.85Mg0.15O1.85 * Conductivity Measurements and Phase Relationships in CaCl2-CaHCl Solid Electrolyte * Relationships Between Crystal Structure and Sodium Ion Conductivity in Na7Fe4(AsO4)6 and Na3Al2(AsO4)3 * Electrical Conductivity and Solubility Limit of Ti4+ Ion in Na1+x TiyZr2-ySixP3-xO12 System * Study on Sodium Fast Ion Conductors of Na1+3xAlxTi2-xSi2xP3-2xO12 System * Influences of Zirconia on the Properties of β''-Alumina Ceramics * Decay of Luminescence from Cr3+ Ions in β-Alumina * Lithium Ion Conductivity in the Li4XO4-Li2

  18. Proceedings of the DAE solid state physics symposium. V. 51

    International Nuclear Information System (INIS)

    Bhushan, K.G.; Gupta, S.K.

    2006-01-01

    DAE Solid State Physics Symposium, sponsored by the Board of Research in Nuclear Sciences, Department of Atomic Energy, is organized annually. The topics covered are phase transitions, soft condensed matter, nano-materials, experimental techniques, instrumentation and solid state devices, superconductivity, magnetism, electronic structure and phonons, semiconductor physics, transport properties, surface - interface and thin films, liquids, glasses and amorphous systems, etc. Papers relevant to INIS are indexed separately

  19. Tautomeric and Microscopic Protonation Equilibria of Anthranilic Acid and Its Derivatives.

    Science.gov (United States)

    Zapała, Lidia; Woźnicka, Elżbieta; Kalembkiewicz, Jan

    2014-01-01

    The acid-base chemistry of three zwitterionic compounds, namely anthranilic (2-aminobenzoic acid), N -methylanthranilic and N -phenylanthranilic acid has been characterized in terms of the macroconstants K a1 , K a2 , the isoelectric point p H I , the tautomerization constant K z and microconstants k 11 , k 12 , k 21 , k 22 . The potentiometric titration method was used to determine the macrodissociation constants. Due to the very poor water solubility of N -phenylanthranilic acid the dissociation constants p K a1 and p K a2 were determined in MDM-water mixtures [MDM is a co-solvent mixture, consisting of equal volumes of methanol (MeOH), dioxane and acetonitrile (MeCN)]. The Yasuda-Shedlovsky extrapolation procedure has been used to obtain the values of p K a1 and p K a2 in aqueous solutions. The p K a1 and p K a2 values obtained by this method are 2.86 ± 0.01 and 4.69 ± 0.03, respectively. The tautomerization constant K z describing the equilibrium between unionized form ⇌ zwitterionic form was evaluated by the K z method based on UV-VIS spectrometry. The method uses spectral differences between the zwitterionic form (found at isoelectric pH in aqueous solution) and the unionized form (formed in an organic solvent of low dielectric constant). The highest value of the K z constant has been observed in the case of N -methylantranilic acid (log 10 K z  = 1.31 ± 0.04). The values of log 10 K z for anthranilic and N -phenylanthranilic acids are similar and have values of 0.93 ± 0.03 and 0.90 ± 0.05, respectively. The results indicate that the tested compounds, in aqueous solution around the isoelectric point pH I , occur mainly in the zwitterionic form. Moreover, the influence of the type of substituent and pH of the aqueous phase on the equilibrium were analyzed with regard to the formation and the coexistence of different forms of the acids in the examined systems.

  20. IGBT: a solid state switch

    International Nuclear Information System (INIS)

    Chatroux, D.; Maury, J.; Hennevin, B.

    1993-01-01

    A Copper Vapour Laser Power Supply has been designed using a solid state switch consisting in eighteen Isolated Gate Bipolar Transistors (IGBT), -1200 volts, 400 Amps, each-in parallel. This paper presents the Isolated Gate Bipolar Transistor (IGBTs) replaced in the Power Electronic components evolution, and describes the IGBT conduction mechanism, presents the parallel association of IGBTs, and studies the application of these components to a Copper Vapour Laser Power Supply. The storage capacitor voltage is 820 volts, the peak current of the solid state switch is 17.000 Amps. The switch is connected on the primary of a step-up transformer, followed by a magnetic modulator. The reset of the magnetic modulator is provided by part of the laser reflected energy with a patented circuit. The charging circuit is a resonant circuit with a charge controlled by an IGBT switch. When the switch is open, the inductance energy is free-wheeled by an additional winding and does not extend the charging phase of the storage capacitor. The design allows the storage capacitor voltage to be very well regulated. This circuit is also patented. The electric pulse in the laser has 30.000 Volt peak voltage, 2000 Amp peak current, and is 200 nanoseconds long, for a 200 Watt optical power Copper Vapour Laser

  1. Solidification microstructures and solid-state parallels: Recent developments, future directions

    Energy Technology Data Exchange (ETDEWEB)

    Asta, M. [Department of Chemical Engineering and Materials Science, University of California at Davis, Davis, CA 95616 (United States); Beckermann, C. [Department of Mechanical and Industrial Engineering, University of Iowa, Iowa City, IA 52242 (United States); Karma, A. [Department of Physics and Center for Interdisciplinary Research on Complex Systems, Northeastern University, Boston, MA 02115 (United States); Kurz, W. [Institute of Materials, Ecole Polytechnique Federale de Lausanne (EPFL), 1015 Lausanne (Switzerland)], E-mail: wilfried.kurz@epfl.ch; Napolitano, R. [Department of Materials Science and Engineering, Iowa State University, and Ames Laboratory USDOE, Ames, IA 50011 (United States); Plapp, M. [Physique de la Matiere Condensee, Ecole Polytechnique, CNRS, 91128 Palaiseau (France); Purdy, G. [Department of Materials Science and Engineering, McMaster University, Hamilton, Ont., L8S 4L7 (Canada); Rappaz, M. [Institute of Materials, Ecole Polytechnique Federale de Lausanne (EPFL), 1015 Lausanne (Switzerland); Trivedi, R. [Department of Materials Science and Engineering, Iowa State University, and Ames Laboratory USDOE, Ames, IA 50011 (United States)

    2009-02-15

    Rapid advances in atomistic and phase-field modeling techniques as well as new experiments have led to major progress in solidification science during the first years of this century. Here we review the most important findings in this technologically important area that impact our quantitative understanding of: (i) key anisotropic properties of the solid-liquid interface that govern solidification pattern evolution, including the solid-liquid interface free energy and the kinetic coefficient; (ii) dendritic solidification at small and large growth rates, with particular emphasis on orientation selection; (iii) regular and irregular eutectic and peritectic microstructures; (iv) effects of convection on microstructure formation; (v) solidification at a high volume fraction of solid and the related formation of pores and hot cracks; and (vi) solid-state transformations as far as they relate to solidification models and techniques. In light of this progress, critical issues that point to directions for future research in both solidification and solid-state transformations are identified.

  2. All conducting polymer electrodes for asymmetric solid-state supercapacitors

    KAUST Repository

    Kurra, Narendra

    2015-02-16

    In this study, we report the fabrication of solid-state asymmetric supercapacitors (ASCs) based on conducting polymer electrodes on a plastic substrate. Nanostructured conducting polymers of poly(3,4-ethylenedioxythiophene), PEDOT, and polyaniline (PANI) are deposited electrochemically over Au-coated polyethylene naphthalate (PEN) plastic substrates. Due to the electron donating nature of the oxygen groups in the PEDOT, reduction potentials are higher, allowing it to be used as a negative electrode material. In addition, the high stability of PEDOT in its oxidised state makes it capable to exhibit electrochemical activity in a wide potential window. This can qualify PEDOT to be used as a negative electrode in fabricating asymmetric solid state supercapacitors with PANI as a positive electrode while employing polyvinyl alcohol (PVA)/H2SO4 gel electrolyte. The ASCs exhibit a maximum power density of 2.8 W cm−3 at an energy density of 9 mW h cm−3, which is superior to the carbonaceous and metal oxide based ASC solid state devices. Furthermore, the tandem configuration of asymmetric supercapacitors is shown to be capable of powering a red light emitting diode for about 1 minute after charging for 10 seconds.

  3. Introduction to solid state physics

    International Nuclear Information System (INIS)

    Hofmann, Philip

    2013-01-01

    A compact introduction to solid-state physics for students of physics, material,and engineering sciences - ideal for a one- to two-semestral course. In easily understable form the author introduces to phenomena and concepts. Thereby he avoids expensive mathematical derivations and refers to outgoing literature. The successful didactical preparation makes an easy access to the theme possible. Numerous illustrations clarify the connections and make the explained well understandable. With about 170 questions and exercise problems.

  4. Comparison of solid-state and submerged-state fermentation for the bioprocessing of switchgrass to ethanol and acetate by Clostridium phytofermentans.

    Science.gov (United States)

    Jain, Abhiney; Morlok, Charles K; Henson, J Michael

    2013-01-01

    The conversion of sustainable energy crops using microbiological fermentation to biofuels and bioproducts typically uses submerged-state processes. Alternatively, solid-state fermentation processes have several advantages when compared to the typical submerged-state processes. This study compares the use of solid-state versus submerged-state fermentation using the mesophilic anaerobic bacterium Clostridium phytofermentans in the conversion of switchgrass to the end products of ethanol, acetate, and hydrogen. A shift in the ratio of metabolic products towards more acetate and hydrogen production than ethanol production was observed when C. phytofermentans was grown under solid-state conditions as compared to submerged-state conditions. Results indicated that the end product concentrations (in millimolar) obtained using solid-state fermentation were higher than using submerged-state fermentation. In contrast, the total fermentation products (in weight of product per weight of carbohydrates consumed) and switchgrass conversion were higher for submerged-state fermentation. The conversion of xylan was greater than glucan conversion under both fermentation conditions. An initial pH of 7 and moisture content of 80 % resulted in maximum end products formation. Scanning electron microscopy study showed the presence of biofilm formed by C. phytofermentans growing on switchgrass under submerged-state fermentation whereas bacterial cells attached to surface and no apparent biofilm was observed when grown under solid-state fermentation. To our knowledge, this is the first study reporting consolidated bioprocessing of a lignocellulosic substrate by a mesophilic anaerobic bacterium under solid-state fermentation conditions.

  5. Gate errors in solid-state quantum-computer architectures

    International Nuclear Information System (INIS)

    Hu Xuedong; Das Sarma, S.

    2002-01-01

    We theoretically consider possible errors in solid-state quantum computation due to the interplay of the complex solid-state environment and gate imperfections. In particular, we study two examples of gate operations in the opposite ends of the gate speed spectrum, an adiabatic gate operation in electron-spin-based quantum dot quantum computation and a sudden gate operation in Cooper-pair-box superconducting quantum computation. We evaluate quantitatively the nonadiabatic operation of a two-qubit gate in a two-electron double quantum dot. We also analyze the nonsudden pulse gate in a Cooper-pair-box-based quantum-computer model. In both cases our numerical results show strong influences of the higher excited states of the system on the gate operation, clearly demonstrating the importance of a detailed understanding of the relevant Hilbert-space structure on the quantum-computer operations

  6. Manipulating Quantum Coherence in Solid State Systems

    CERN Document Server

    Flatté, Michael E; The NATO Advanced Study Institute "Manipulating Quantum Coherence in Solid State Systems"

    2007-01-01

    The NATO Advanced Study Institute "Manipulating Quantum Coherence in Solid State Systems", in Cluj-Napoca, Romania, August 29-September 9, 2005, presented a fundamental introduction to solid-state approaches to achieving quantum computation. This proceedings volume describes the properties of quantum coherence in semiconductor spin-based systems and the behavior of quantum coherence in superconducting systems. Semiconductor spin-based approaches to quantum computation have made tremendous advances in the past several years. Coherent populations of spins can be oriented, manipulated and detected experimentally. Rapid progress has been made towards performing the same tasks on individual spins (nuclear, ionic, or electronic) with all-electrical means. Superconducting approaches to quantum computation have demonstrated single qubits based on charge eigenstates as well as flux eigenstates. These topics have been presented in a pedagogical fashion by leading researchers in the fields of semiconductor-spin-based qu...

  7. Solid-State Ultracapacitor for Improved Energy Storage

    Science.gov (United States)

    Nabors, Sammy

    2015-01-01

    NASA's Marshall Space Flight Center has developed a solid-state ultracapacitor using a novel nanocomposite, dielectric material. The material's design is based on the internal barrier layer capacitance (IBLC) concept, and it uses novel dielectric and metallic conductive ink formulations. Novel processing methods developed by NASA provide for unique dielectric properties at the grain level. Nanoscale raw material powders are tailored using a variety of techniques and then formulated into a special ink. This dielectric ink is used with novel metallic conductive ink to print a capacitor layer structure into any design necessary to meet a range of technical requirements. The innovation is intended to replace current range safety batteries that NASA uses to power the systems that destroy off-course space vehicles. A solid-state design provides the needed robustness and safety for this demanding application.

  8. Solid State Welding Development at Marshall Space Flight Center

    Science.gov (United States)

    Ding, Robert J.; Walker, Bryant

    2012-01-01

    What is TSW and USW? TSW is a solid state weld process consisting of an induction coil heating source, a stir rod, and non-rotating containment plates Independent heating, stirring and forging controls Decouples the heating, stirring and forging process elements of FSW. USW is a solid state weld process consisting of an induction coil heating source, a stir rod, and a non-rotating containment plate; Ultrasonic energy integrated into non-rotating containment plate and stir rod; Independent heating, stirring and forging controls; Decouples the heating, stirring and forging process elements of FSW.

  9. Tritium contaminated surface monitoring with a solid - state device

    International Nuclear Information System (INIS)

    Culcer, Mihai; Iliescu, Mariana; Curuia, Marian; Enache, Adrian; Stefanescu, Ioan; Ducu, Catalin; Malinovschi, Viorel

    2004-01-01

    The low energy of betas makes tritium difficult to detect. However, there are several methods used in tritium detection, such as liquid scintillation and ionization chambers. Tritium on or near a surface can be also detected using proportional counters and, recently, solid state devices. The paper presents our results in the design and achievement of a surface tritium monitor using a PIN photodiode as a solid state charged particle detector to count betas emitted from the surface. That method allows continuous, real-time and non-destructively measuring of tritium. (authors)

  10. Investigations in the field of solid-state polymerization Pt. 37

    International Nuclear Information System (INIS)

    Mahr, L.; Cser, F.; Kovacs, G.; Hardy, Gy.

    1978-01-01

    Chloranil (CA) and bromanil (BA) which have otherwise similar radiation-chemical properties affect the solid state polymerization of acenaphthylene (ACN) in different manner. CA decreases the rate of polymerization proportionally to its concentration and besides, it also decreases the conversion limit and the molecular weight of the product. BA does not influence the reaction up to a conversion of 20%, but soon afterwards the conversion limit of the polymerization is reached. This limit, above 8M% BA content, is independent of the BA concentration. The reason for the different behaviour is that while BA forms an ideal eutectics with ACN, CA forms a solid solution of limited miscibility at the temperature of the experiments. Both pairs of compounds give charge transfer complex in solid state. The charge transfer complex of BA exists merely at the boundary layer of the crystals, but that of CA is within the crystal lattice of ACN as in a solid solvent. In none of the studied cases could be detected the charge transfer complex with its own specific crystal structure. The effect of CA on the solid state polymerization of ACN is discussed on the basis of the results obtained by PPP and CNDO/2 calculations on ACN and CA. (author)

  11. A New All Solid State Approach to Gaseous Pollutant Detection

    Science.gov (United States)

    Brown, V.; Tamstorf, K.

    1971-01-01

    Recent efforts in our laboratories have concentrated on the development of an all solid state gas sensor, by combining solid electrolyte (ion exchange membrane) technology with advanced thin film deposition processes. With the proper bias magnitude and polarity these miniature electro-chemical,cells show remarkable current responses for many common pollution gases. Current activity is now focused on complementing a multiple array (matrix) of these solid state sensors, with a digital electronic scanner device possessing "scan-compare-identify-alarm: capability. This innovative approach to multi-component pollutant gas analysis may indeed be the advanced prototype for the "third generation" class of pollution analysis instrumentation so urgently needed in the decade ahead.

  12. Unitary transformations in solid state physics

    International Nuclear Information System (INIS)

    Wagner, M.

    1986-01-01

    The main emphasis of this book is on the practical application of unitary transformations to problems in solid state physics. This is a method used in the field of nonadiabatic electron-phonon phenomena where the Born-Oppenheimer approximation is no longer applicable. The book is intended as a tool for those who want to apply unitary transformations quickly and on a more elementary level and also for those who want to use this method for more involved problems. The book is divided into 6 chapters. The first three chapters are concerned with presenting quick applications of unitary transformations and chapter 4 presents a more systematic procedure. The last two chapters contain the major known examples of the utilization of unitary transformations in solid state physics, including such highlights as the Froehlich and the Fulton-Gouterman transformations. The book is supplemented by extended tables of unitary transformations, whose properties and peculiarities are also listed. This tabulated material is unique and will be of great practical use to those applying the method of unitary transformations in their work. (Auth.)

  13. Advanced solid state batteries

    Energy Technology Data Exchange (ETDEWEB)

    Levasseur, A; Delmas, C; Menetrier, M; Hagenmuller, P

    1984-01-01

    Direct electrochemical storage of electricity is attractive because of its adaptability to vehicle traction as well as to stationary applications. Important advancements are necessary to improve primary or secondary batteries so far used. The aim of this study was to develop and to characterize materials for the next generation of advanced, rechargeable solid state batteries for vehicle transport and stationary storage applications. One of the best electricity storage systems was the lithium/intercalation compound secondary battery, though up to now the behavior of liquid organic electrolytes did not allow for good recycling in such systems. The research program for these batteries is described.

  14. Optical techniques for solid-state materials characterization

    CERN Document Server

    Prasankumar, Rohit P

    2016-01-01

    This book has comprehensively covered the essential optical approaches needed for solid-state materials characterization. Written by experts in the field, this will be a great reference for students, engineers, and scientists.-Professor Yoke Khin Yap, Michigan Technical University.

  15. The solid-state terahertz spectrum of MDMA (Ecstasy) - A unique test for molecular modeling assignments

    Science.gov (United States)

    Allis, Damian G.; Hakey, Patrick M.; Korter, Timothy M.

    2008-10-01

    The terahertz (THz, far-infrared) spectrum of 3,4-methylene-dioxymethamphetamine hydrochloride (Ecstasy) is simulated using solid-state density functional theory. While a previously reported isolated-molecule calculation is noteworthy for the precision of its solid-state THz reproduction, the solid-state calculation predicts that the isolated-molecule modes account for only half of the spectral features in the THz region, with the remaining structure arising from lattice vibrations that cannot be predicted without solid-state molecular modeling. The molecular origins of the internal mode contributions to the solid-state THz spectrum, as well as the proper consideration of the protonation state of the molecule, are also considered.

  16. Gas-Phase Thermal Tautomerization of Imidazole-Acetic Acid: Theoretical and Computational Investigations

    Directory of Open Access Journals (Sweden)

    Saadullah G. Aziz

    2015-11-01

    Full Text Available The gas-phase thermal tautomerization reaction between imidazole-4-acetic (I and imidazole-5-acetic (II acids was monitored using the traditional hybrid functional (B3LYP and the long-range corrected functionals (CAM-B3LYP and ωB97XD with 6-311++G** and aug-cc-pvdz basis sets. The roles of the long-range and dispersion corrections on their geometrical parameters, thermodynamic functions, kinetics, dipole moments, Highest Occupied Molecular Orbital–Lowest Unoccupied Molecular Orbital (HOMO–LUMO energy gaps and total hyperpolarizability were investigated. All tested levels of theory predicted the preference of I over II by 0.750–0.877 kcal/mol. The origin of predilection of I is assigned to the H-bonding interaction (nN8→σ*O14–H15. This interaction stabilized I by 15.07 kcal/mol. The gas-phase interconversion between the two tautomers assumed a 1,2-proton shift mechanism, with two transition states (TS, TS1 and TS2, having energy barriers of 47.67–49.92 and 49.55–52.69 kcal/mol, respectively, and an sp3-type intermediate. A water-assisted 1,3-proton shift route brought the barrier height down to less than 20 kcal/mol in gas-phase and less than 12 kcal/mol in solution. The relatively high values of total hyperpolarizability of I compared to II were interpreted and discussed.

  17. Eutectic and solid-state wafer bonding of silicon with gold

    International Nuclear Information System (INIS)

    Abouie, Maryam; Liu, Qi; Ivey, Douglas G.

    2012-01-01

    Highlights: ► Eutectic and solid-state Au-Si bonding are compared for both a-Si and c-Si samples. ► Exchange of a-Si and Au layer was observed in both types of bonded samples. ► Use of c-Si for bonding resulted in formation of craters at the Au/c-Si interface. ► Solid-state Au-Si bonding produces better bonds in terms of microstructure. - Abstract: The simple Au-Si eutectic, which melts at 363 °C, can be used to bond Si wafers. However, faceted craters can form at the Au/Si interface as a result of anisotropic and non-uniform reaction between Au and crystalline silicon (c-Si). These craters may adversely affect active devices on the wafers. Two possible solutions to this problem were investigated in this study. One solution was to use an amorphous silicon layer (a-Si) that was deposited on the c-Si substrate to bond with the Au. The other solution was to use solid-state bonding instead of eutectic bonding, and the wafers were bonded at a temperature (350 °C) below the Au-Si eutectic temperature. The results showed that the a-Si layer prevented the formation of craters and solid-state bonding not only required a lower bonding temperature than eutectic bonding, but also prevented spill out of the solder resulting in strong bonds with high shear strength in comparison with eutectic bonding. Using amorphous silicon, the maximum shear strength for the solid-state Au-Si bond reached 15.2 MPa, whereas for the eutectic Au-Si bond it was 13.2 MPa.

  18. High Reversibility of “Soft” Electrode Materials in All-Solid-State Batteries

    Energy Technology Data Exchange (ETDEWEB)

    Sakuda, Atsushi, E-mail: a.sakuda@aist.go.jp; Takeuchi, Tomonari, E-mail: a.sakuda@aist.go.jp; Shikano, Masahiro; Sakaebe, Hikari; Kobayashi, Hironori [Department of Energy and Environment, Research Institute for Electrochemical Energy, National Institute of Advanced Industrial Science and Technology (AIST), Ikeda (Japan)

    2016-05-10

    All-solid-state batteries using inorganic solid electrolytes (SEs) are considered to be ideal batteries for electric vehicles and plug-in hybrid electric vehicles because they are potentially safer than conventional lithium-ion batteries (LIBs). In addition, all-solid-state batteries are expected to have long battery life owing to the inhibition of chemical side reactions because only lithium ions move through the typically used inorganic SEs. The development of high-energy density (more than 300 Wh kg{sup −1}) secondary batteries has been eagerly anticipated for years. The application of high-capacity electrode active materials is essential for fabricating such batteries. Recently, we proposed metal polysulfides as new electrode materials. These materials show higher conductivity and density than sulfur, which is advantageous for fabricating batteries with relatively higher energy density. Lithium niobium sulfides, such as Li{sub 3}NbS{sub 4}, have relatively high density, conductivity, and rate capability among metal polysulfide materials, and batteries with these materials have capacities high enough to potentially exceed the gravimetric-energy density of conventional LIBs. Favorable solid–solid contact between the electrode and electrolyte particles is a key factor for fabricating high performance all-solid-state batteries. Conventional oxide-based positive electrode materials tend to give rise to cracks during fabrication and/or charge–discharge processes. Here, we report all-solid-state cells using lithium niobium sulfide as a positive electrode material, where favorable solid–solid contact was established by using lithium sulfide electrode materials because of their high processability. Cracks were barely observed in the electrode particles in the all-solid-state cells before or after charging and discharging with a high capacity of approximately 400 mAh g{sup −1} suggesting that the lithium niobium sulfide electrode charged and discharged without

  19. High Reversibility of “Soft” Electrode Materials in All-Solid-State Batteries

    International Nuclear Information System (INIS)

    Sakuda, Atsushi; Takeuchi, Tomonari; Shikano, Masahiro; Sakaebe, Hikari; Kobayashi, Hironori

    2016-01-01

    All-solid-state batteries using inorganic solid electrolytes (SEs) are considered to be ideal batteries for electric vehicles and plug-in hybrid electric vehicles because they are potentially safer than conventional lithium-ion batteries (LIBs). In addition, all-solid-state batteries are expected to have long battery life owing to the inhibition of chemical side reactions because only lithium ions move through the typically used inorganic SEs. The development of high-energy density (more than 300 Wh kg −1 ) secondary batteries has been eagerly anticipated for years. The application of high-capacity electrode active materials is essential for fabricating such batteries. Recently, we proposed metal polysulfides as new electrode materials. These materials show higher conductivity and density than sulfur, which is advantageous for fabricating batteries with relatively higher energy density. Lithium niobium sulfides, such as Li 3 NbS 4 , have relatively high density, conductivity, and rate capability among metal polysulfide materials, and batteries with these materials have capacities high enough to potentially exceed the gravimetric-energy density of conventional LIBs. Favorable solid–solid contact between the electrode and electrolyte particles is a key factor for fabricating high performance all-solid-state batteries. Conventional oxide-based positive electrode materials tend to give rise to cracks during fabrication and/or charge–discharge processes. Here, we report all-solid-state cells using lithium niobium sulfide as a positive electrode material, where favorable solid–solid contact was established by using lithium sulfide electrode materials because of their high processability. Cracks were barely observed in the electrode particles in the all-solid-state cells before or after charging and discharging with a high capacity of approximately 400 mAh g −1 suggesting that the lithium niobium sulfide electrode charged and discharged without experiencing

  20. Solid state fermentation for foods and beverages

    NARCIS (Netherlands)

    Chen, J.; Zhu, Y.; Nout, M.J.R.; Sarkar, P.K.

    2013-01-01

    The book systematically describes the production of solid-state fermented food and beverage in terms of the history and development of SSF technology and SSF foods, bio-reactor design, fermentation process, various substrate origins and sustainable development. It emphasizes Oriental traditional

  1. Solar-pumped solid state Nd lasers

    Science.gov (United States)

    Williams, M. D.; Zapata, L.

    1985-01-01

    Solid state neodymium lasers are considered candidates for space-based polar-pumped laser for continuous power transmission. Laser performance for three different slab laser configurations has been computed to show the excellent power capability of such systems if heat problems can be solved. Ideas involving geometries and materials are offered as potential solutions to the heat problem.

  2. Modular compact solid-state modulators for particle accelerators

    Science.gov (United States)

    Zavadtsev, A. A.; Zavadtsev, D. A.; Churanov, D. V.

    2017-12-01

    The building of the radio frequency (RF) particle accelerator needs high-voltage pulsed modulator as a power supply for klystron or magnetron to feed the RF accelerating system. The development of a number of solid-state modulators for use in linear accelerators has allowed to develop a series of modular IGBT based compact solid-state modulators with different parameters. This series covers a wide range of needs in accelerator technology to feed a wide range of loads from the low power magnetrons to powerful klystrons. Each modulator of the series is built on base of a number of unified solid-state modules connected to the pulse transformer, and covers a wide range of modulators: voltage up to 250 kV, a peak current up to 250 A, average power up to 100 kW and the pulse duration up to 20 μsec. The parameters of the block with an overall dimensions 880×540×250 mm are: voltage 12 kV, peak current 1600 A, pulse duration 20 μsec, average power 10 kW with air-cooling and 40 kW with liquidcooling. These parameters do not represent a physical limit, and modulators to parameters outside these ranges can be created on request.

  3. Solid State Pathways towards Molecular Complexity in Space

    Science.gov (United States)

    Linnartz, Harold; Bossa, Jean-Baptiste; Bouwman, Jordy; Cuppen, Herma M.; Cuylle, Steven H.; van Dishoeck, Ewine F.; Fayolle, Edith C.; Fedoseev, Gleb; Fuchs, Guido W.; Ioppolo, Sergio; Isokoski, Karoliina; Lamberts, Thanja; Öberg, Karin I.; Romanzin, Claire; Tenenbaum, Emily; Zhen, Junfeng

    2011-12-01

    It has been a long standing problem in astrochemistry to explain how molecules can form in a highly dilute environment such as the interstellar medium. In the last decennium more and more evidence has been found that the observed mix of small and complex, stable and highly transient species in space is the cumulative result of gas phase and solid state reactions as well as gas-grain interactions. Solid state reactions on icy dust grains are specifically found to play an important role in the formation of the more complex ``organic'' compounds. In order to investigate the underlying physical and chemical processes detailed laboratory based experiments are needed that simulate surface reactions triggered by processes as different as thermal heating, photon (UV) irradiation and particle (atom, cosmic ray, electron) bombardment of interstellar ice analogues. Here, some of the latest research performed in the Sackler Laboratory for Astrophysics in Leiden, the Netherlands is reviewed. The focus is on hydrogenation, i.e., H-atom addition reactions and vacuum ultraviolet irradiation of interstellar ice analogues at astronomically relevant temperatures. It is shown that solid state processes are crucial in the chemical evolution of the interstellar medium, providing pathways towards molecular complexity in space.

  4. Experimental study on the EMP failure mode of DC solid state relay

    International Nuclear Information System (INIS)

    Sun Beiyun; Chen Xiangyue; Zhai Aibin; Mao Congguang

    2009-01-01

    DC solid state relay is a new type switch device without touch point, and is extensive used by aviation and spaceflight technique. In this paper, the EMP failure modes of solid state relays were obtained by current injection method. (authors)

  5. Reaction diffusion and solid state chemical kinetics handbook

    CERN Document Server

    Dybkov, V I

    2010-01-01

    This monograph deals with a physico-chemical approach to the problem of the solid-state growth of chemical compound layers and reaction-diffusion in binary heterogeneous systems formed by two solids; as well as a solid with a liquid or a gas. It is explained why the number of compound layers growing at the interface between the original phases is usually much lower than the number of chemical compounds in the phase diagram of a given binary system. For example, of the eight intermetallic compounds which exist in the aluminium-zirconium binary system, only ZrAl3 was found to grow as a separate

  6. Solid state photosensitive devices which employ isolated photosynthetic complexes

    Science.gov (United States)

    Peumans, Peter; Forrest, Stephen R.

    2009-09-22

    Solid state photosensitive devices including photovoltaic devices are provided which comprise a first electrode and a second electrode in superposed relation; and at least one isolated Light Harvesting Complex (LHC) between the electrodes. Preferred photosensitive devices comprise an electron transport layer formed of a first photoconductive organic semiconductor material, adjacent to the LHC, disposed between the first electrode and the LHC; and a hole transport layer formed of a second photoconductive organic semiconductor material, adjacent to the LHC, disposed between the second electrode and the LHC. Solid state photosensitive devices of the present invention may comprise at least one additional layer of photoconductive organic semiconductor material disposed between the first electrode and the electron transport layer; and at least one additional layer of photoconductive organic semiconductor material, disposed between the second electrode and the hole transport layer. Methods of generating photocurrent are provided which comprise exposing a photovoltaic device of the present invention to light. Electronic devices are provided which comprise a solid state photosensitive device of the present invention.

  7. LOW-TEMPERATURE EQUATION OF STATE OF SOLID METHANE

    Directory of Open Access Journals (Sweden)

    L. N. Yakub

    2016-02-01

    Full Text Available The theoretical equation of state for solid methane, developed within the framework of perturbation theory, with the crystal consisting of spherical molecules as zero-order approximation, and octupole – octupole interaction of methane molecules as a perturbation, is proposed. Thermodynamic functions are computed on the sublimation line up to the triple point. The contribution of the octupole – octupole interaction to the thermodynamic properties of solid methane is estimated.

  8. Analysis of solid-state transformations of pharmaceutical compounds using vibrational spectroscopy

    DEFF Research Database (Denmark)

    Heinz, Andrea; Strachan, Clare J; Gordon, Keith C

    2009-01-01

    OBJECTIVES: Solid-state transformations may occur during any stage of pharmaceutical processing and upon storage of a solid dosage form. Early detection and quantification of these transformations during the manufacture of solid dosage forms is important since the physical form of an active...... pharmaceutical ingredient can significantly influence its processing behaviour, including powder flow and compressibility, and biopharmaceutical properties such as solubility, dissolution rate and bioavailability. KEY FINDINGS: Vibrational spectroscopic techniques such as infrared, near-infrared, Raman and, most...... multivariate approaches where even overlapping spectral bands can be analysed. SUMMARY: This review discusses the applications of different vibrational spectroscopic techniques to detect and monitor solid-state transformations possible for crystalline polymorphs, hydrates and amorphous forms of pharmaceutical...

  9. Constant pH molecular dynamics of proteins in explicit solvent with proton tautomerism.

    Science.gov (United States)

    Goh, Garrett B; Hulbert, Benjamin S; Zhou, Huiqing; Brooks, Charles L

    2014-07-01

    pH is a ubiquitous regulator of biological activity, including protein-folding, protein-protein interactions, and enzymatic activity. Existing constant pH molecular dynamics (CPHMD) models that were developed to address questions related to the pH-dependent properties of proteins are largely based on implicit solvent models. However, implicit solvent models are known to underestimate the desolvation energy of buried charged residues, increasing the error associated with predictions that involve internal ionizable residue that are important in processes like hydrogen transport and electron transfer. Furthermore, discrete water and ions cannot be modeled in implicit solvent, which are important in systems like membrane proteins and ion channels. We report on an explicit solvent constant pH molecular dynamics framework based on multi-site λ-dynamics (CPHMD(MSλD)). In the CPHMD(MSλD) framework, we performed seamless alchemical transitions between protonation and tautomeric states using multi-site λ-dynamics, and designed novel biasing potentials to ensure that the physical end-states are predominantly sampled. We show that explicit solvent CPHMD(MSλD) simulations model realistic pH-dependent properties of proteins such as the Hen-Egg White Lysozyme (HEWL), binding domain of 2-oxoglutarate dehydrogenase (BBL) and N-terminal domain of ribosomal protein L9 (NTL9), and the pKa predictions are in excellent agreement with experimental values, with a RMSE ranging from 0.72 to 0.84 pKa units. With the recent development of the explicit solvent CPHMD(MSλD) framework for nucleic acids, accurate modeling of pH-dependent properties of both major class of biomolecules-proteins and nucleic acids is now possible. © 2013 Wiley Periodicals, Inc.

  10. Rheological behavior of semi-solid 7075 aluminum alloy at steady state

    Directory of Open Access Journals (Sweden)

    Li Yageng

    2014-03-01

    Full Text Available The further application of semi-solid processing lies in the in-depth fundamental study like rheological behavior. In this research, the apparent viscosity of the semi-solid slurry of 7075 alloy was measured using a Couette type viscometer. The effects of solid fraction and shearing rate on the apparent viscosity of this alloy were investigated under different processing conditions. It can be seen that the apparent viscosity increases with an increase in the solid fraction from 10% to 50% (temperature 620 篊 to 630 篊 at steady state. When the solid fraction was fixed, the apparent viscosity can be decreased by altering the shearing rate from 61.235 s-1 to 489.88 s-1 at steady state. An empirical equation that shows the effects of solid fraction and shearing rate on the apparent viscosity is fitted. The microstructure of quenched samples was examined to understand the alloy抯 rheological behavior.

  11. Solid-state NMR spectroscopy on complex biomolecules

    NARCIS (Netherlands)

    Renault, M.A.M.; Cukkemane, A.A.; Baldus, M.

    2010-01-01

    Biomolecular applications of NMR spectroscopy are often merely associated with soluble molecules or magnetic resonance imaging. However, since the late 1970s, solid-state NMR (ssNMR) spectroscopy has demonstrated its ability to provide atomic-level insight into complex biomolecular systems ranging

  12. Solid-state interactions between trimethoprim and parabens

    DEFF Research Database (Denmark)

    Pedersen, S.; Kristensen, H. G.; Cornett, Claus

    1994-01-01

    by differential scanning calorimetry, X-ray powder diffraction, Fourier transform infrared spectroscopy, and solid-state C-13-NMR. Interactions between trimethoprim and 4-hydroxybenzoic acid and its ethyl,propyl and butyl esters were not observed. The nature of the trimethoprim and methyl parahydroxybenzoate...

  13. A Model of Solid State Gas Sensors

    Science.gov (United States)

    Woestman, J. T.; Brailsford, A. D.; Shane, M.; Logothetis, E. M.

    1997-03-01

    Solid state gas sensors are widely used to measure the concentrations of gases such as CO, CH_4, C_3H_6, H_2, C_3H8 and O2 The applications of these sensors range from air-to-fuel ratio control in combustion processes including those in automotive engines and industrial furnaces to leakage detection of inflammable and toxic gases in domestic and industrial environments. As the need increases to accurately measure smaller and smaller concentrations, problems such as poor selectivity, stability and response time limit the use of these sensors. In an effort to overcome some of these limitations, a theoretical model of the transient behavior of solid state gas sensors has been developed. In this presentation, a model for the transient response of an electrochemical gas sensor to gas mixtures containing O2 and one reducing species, such as CO, is discussed. This model accounts for the transport of the reactive species to the sampling electrode, the catalyzed oxidation/reduction reaction of these species and the generation of the resulting electrical signal. The model will be shown to reproduce the results of published steady state models and to agree with experimental steady state and transient data.

  14. Materials research for passive solar systems: Solid-state phase-change materials

    Science.gov (United States)

    Benson, D. K.; Webb, J. D.; Burrows, R. W.; McFadden, J. D. O.; Christensen, C.

    1985-03-01

    A set of solid-state phase-change materials is being evaluated for possible use in passive solar thermal energy storage systems. The most promising materials are organic solid solutions of pentaerythritol (C5H12O4), pentaglycerinve (C5H12O3), and neopentyl glycol (C5H12O2). Solid solution mixtures of these compounds can be tailored so that they exhibit solid-to-solid phase transformations at any desired temperature between 25 C and 188 C, and have latent heats of transformation etween 20 and 70 cal/g. Transformation temperatures, specific heats, and latent heats of transformation have been measured for a number of these materials. Limited cyclic experiments suggest that the solid solutions are stable. These phase-change materials exhibit large amounts of undercooling; however, the addition of certain nucleating agents as particulate dispersions in the solid phase-change material greatly reduces this effect. Computer simulations suggest that the use of an optimized solid-state phase-change material in a Trombe wall could provide better performance than a concrete Trombe wall four times thicker and nine times heavier.

  15. Solid State Physics Principles and Modern Applications

    CERN Document Server

    Quinn, John J

    2009-01-01

    Intended for a two semester advanced undergraduate or graduate course in Solid State Physics, this treatment offers modern coverage of the theory and related experiments, including the group theoretical approach to band structures, Moessbauer recoil free fraction, semi-classical electron theory, magnetoconductivity, electron self-energy and Landau theory of Fermi liquid, and both quantum and fractional quantum Hall effects. Integrated throughout are developments from the newest semiconductor devices, e.g. space charge layers, quantum wells and superlattices. The first half includes all material usually covered in the introductory course, but in greater depth than most introductory textbooks. The second half includes most of the important developments in solid-state researches of the past half century, addressing e.g. optical and electronic properties such as collective bulk and surface modes and spectral function of a quasiparticle, which is a basic concept for understanding LEED intensities, X ray fine struc...

  16. Solid state detectors for neutron radiation monitoring in fusion facilities

    International Nuclear Information System (INIS)

    Gómez-Ros, J.M.

    2014-01-01

    The purpose of this communication is to summarize the main solid state based detectors proposed for neutron diagnostic in fusion applications and their applicability under the required harsh conditions in terms of intense radiation, high temperature and available space restrictions. Activation systems, semiconductor based detectors, luminescent materials and Cerenkov fibre optics sensors (C-FOS) are the main devices that are described. - Highlights: • A state-of-the-art summary of solid state based detectors are described. • Conditions and restrictions for their applicability are described. • A list of the 38 more relevant references has been included

  17. Solid State Division progress report for period ending September 30, 1984

    International Nuclear Information System (INIS)

    Green, P.H.; Watson, D.M.

    1985-03-01

    During the reporting period, relatively minor changes have occurred in the research areas of interest to the Division. Nearly all the research of the Division can be classified broadly as mission-oriented basic research. Topics covered include: theoretical solid state physics; surface and near-surface properties of solids; defects in solids; transport properties of solids; neutron scattering; and preparation and characterization of research materials

  18. Solid State Division progress report for period ending September 30, 1984

    Energy Technology Data Exchange (ETDEWEB)

    Green, P.H.; Watson, D.M. (eds.)

    1985-03-01

    During the reporting period, relatively minor changes have occurred in the research areas of interest to the Division. Nearly all the research of the Division can be classified broadly as mission-oriented basic research. Topics covered include: theoretical solid state physics; surface and near-surface properties of solids; defects in solids; transport properties of solids; neutron scattering; and preparation and characterization of research materials. (GHT)

  19. A Toolbox of Solid-State NMR Experiments for the Characterization of Soft Organic Nanomaterials

    KAUST Repository

    Straasø, Lasse Arnt

    2016-02-02

    Determining how organic molecules self-assemble into a solid material is a challenging and demanding task if a single crystal of the material cannot be produced. Solid-state NMR spectroscopy offers access to such molecular details via an appropriate selection of techniques. This report gives a selected overview of 1D and 2D solid-state NMR techniques for elucidating the structure of soft organic solids. We focus on how the solid-state NMR techniques are designed from the perspective of the different nuclear interactions, using average Hamiltonian theory and product operators. We also introduce recent methods for quantification and reduction of experimental artifacts. Finally, we highlight how the solid-state NMR techniques can be applied to soft organic materials by reviewing recent applications to semicrystalline polymers, π-conjugated polymers, natural silk, and graphene-related materials.

  20. A Toolbox of Solid-State NMR Experiments for the Characterization of Soft Organic Nanomaterials

    KAUST Repository

    Straasø , Lasse Arnt; Saleem, Qasim; Hansen, Michael Ryan

    2016-01-01

    Determining how organic molecules self-assemble into a solid material is a challenging and demanding task if a single crystal of the material cannot be produced. Solid-state NMR spectroscopy offers access to such molecular details via an appropriate selection of techniques. This report gives a selected overview of 1D and 2D solid-state NMR techniques for elucidating the structure of soft organic solids. We focus on how the solid-state NMR techniques are designed from the perspective of the different nuclear interactions, using average Hamiltonian theory and product operators. We also introduce recent methods for quantification and reduction of experimental artifacts. Finally, we highlight how the solid-state NMR techniques can be applied to soft organic materials by reviewing recent applications to semicrystalline polymers, π-conjugated polymers, natural silk, and graphene-related materials.

  1. The 1989 progress report: Solid-state Mechanics

    International Nuclear Information System (INIS)

    Habib, P.

    1989-01-01

    The 1989 progress report of the laboratory of Solid-state Mechanics of the Polytechnic School (France) is presented. The investigations are focused on the study of strain and failure of solids and structures. The results reported concern the fields of: stability and bifurcation of elastic or inelastic systems, damage and fatigue (resistance improvement, failure risks on pipe systems, crack propagation), the development of a computer code for soil strengthening by using linear inclusions, mechanical behavior of several rocks for the safety of underground works, expert systems. The published papers, the conferences and the Laboratory staff are listed [fr

  2. Theoretical Kinetic Study of the Unimolecular Keto–Enol Tautomerism Propen-2-ol ↔ Acetone. Pressure Effects and Implications in the Pyrolysis of tert- and 2-Butanol

    KAUST Repository

    Grajales Gonzalez, Edwing

    2018-03-21

    The need for renewable and cleaner sources of energy has made biofuels an interesting alternative to fossil fuels, especially in the case of butanol isomers, with its favorable blend properties and low hygroscopicity. Although C4 alcohols are prospective fuels, some key reactions governing their pyrolysis and combustion have not been adequately studied, leading to incomplete kinetic models. Enols are important intermediates in the combustion of C4 alcohols, as well as in atmospheric processes. Butanol reactions kinetics is poorly understood. Specifically, the unimolecular tautomerism of propen-2-ol ↔ acetone, which is included in butanol combustion kinetic models, is assigned rate parameters based on the tautomerism vinyl alcohol ↔ acetaldehyde as an analogy. In an attempt to update current kinetic models for tert- and 2-butanol, a theoretical kinetic study of the titled reaction was carried out by means of CCSD(T,FULL)/aug-cc-pVTZ//CCSD(T)/6-31+G(d,p) ab initio calculations, with multistructural torsional anharmonicity and variational transition state theory considerations in a wide temperature and pressure range (200-3000 K; 0.1-108 kPa). Results differ from vinyl alcohol ↔ acetaldehyde analogue reaction, which shows lower rate constant values. It was observed that decreasing pressure leads to a decrease in rate constants, describing the expected falloff behavior. Tunneling turned out to be important, especially at low temperatures. Accordingly, pyrolysis simulations in a batch reactor for tert- and 2-butanol with computed rate constants showed important differences in comparison with previous results, such as larger acetone yield and quicker propen-2-ol consumption.

  3. Theoretical Kinetic Study of the Unimolecular Keto–Enol Tautomerism Propen-2-ol ↔ Acetone. Pressure Effects and Implications in the Pyrolysis of tert- and 2-Butanol

    KAUST Repository

    Grajales Gonzalez, Edwing Javier; Monge Palacios, Manuel; Sarathy, Mani

    2018-01-01

    The need for renewable and cleaner sources of energy has made biofuels an interesting alternative to fossil fuels, especially in the case of butanol isomers, with its favorable blend properties and low hygroscopicity. Although C4 alcohols are prospective fuels, some key reactions governing their pyrolysis and combustion have not been adequately studied, leading to incomplete kinetic models. Enols are important intermediates in the combustion of C4 alcohols, as well as in atmospheric processes. Butanol reactions kinetics is poorly understood. Specifically, the unimolecular tautomerism of propen-2-ol ↔ acetone, which is included in butanol combustion kinetic models, is assigned rate parameters based on the tautomerism vinyl alcohol ↔ acetaldehyde as an analogy. In an attempt to update current kinetic models for tert- and 2-butanol, a theoretical kinetic study of the titled reaction was carried out by means of CCSD(T,FULL)/aug-cc-pVTZ//CCSD(T)/6-31+G(d,p) ab initio calculations, with multistructural torsional anharmonicity and variational transition state theory considerations in a wide temperature and pressure range (200-3000 K; 0.1-108 kPa). Results differ from vinyl alcohol ↔ acetaldehyde analogue reaction, which shows lower rate constant values. It was observed that decreasing pressure leads to a decrease in rate constants, describing the expected falloff behavior. Tunneling turned out to be important, especially at low temperatures. Accordingly, pyrolysis simulations in a batch reactor for tert- and 2-butanol with computed rate constants showed important differences in comparison with previous results, such as larger acetone yield and quicker propen-2-ol consumption.

  4. Solid State Ionics: from Michael Faraday to green energy-the European dimension.

    Science.gov (United States)

    Funke, Klaus

    2013-08-01

    Solid State Ionics has its roots essentially in Europe. First foundations were laid by Michael Faraday who discovered the solid electrolytes Ag 2 S and PbF 2 and coined terms such as cation and anion , electrode and electrolyte . In the 19th and early 20th centuries, the main lines of development toward Solid State Ionics, pursued in Europe, concerned the linear laws of transport, structural analysis, disorder and entropy and the electrochemical storage and conversion of energy. Fundamental contributions were then made by Walther Nernst, who derived the Nernst equation and detected ionic conduction in heterovalently doped zirconia, which he utilized in his Nernst lamp. Another big step forward was the discovery of the extraordinary properties of alpha silver iodide in 1914. In the late 1920s and early 1930s, the concept of point defects was established by Yakov Il'ich Frenkel, Walter Schottky and Carl Wagner, including the development of point-defect thermodynamics by Schottky and Wagner. In terms of point defects, ionic (and electronic) transport in ionic crystals became easy to visualize. In an 'evolving scheme of materials science', point disorder precedes structural disorder, as displayed by the AgI-type solid electrolytes (and other ionic crystals), by ion-conducting glasses, polymer electrolytes and nano-composites. During the last few decades, much progress has been made in finding and investigating novel solid electrolytes and in using them for the preservation of our environment, in particular in advanced solid state battery systems, fuel cells and sensors. Since 1972, international conferences have been held in the field of Solid State Ionics, and the International Society for Solid State Ionics was founded at one of them, held at Garmisch-Partenkirchen, Germany, in 1987.

  5. Solid State Ionics: from Michael Faraday to green energy—the European dimension

    Science.gov (United States)

    Funke, Klaus

    2013-01-01

    Solid State Ionics has its roots essentially in Europe. First foundations were laid by Michael Faraday who discovered the solid electrolytes Ag2S and PbF2 and coined terms such as cation and anion, electrode and electrolyte. In the 19th and early 20th centuries, the main lines of development toward Solid State Ionics, pursued in Europe, concerned the linear laws of transport, structural analysis, disorder and entropy and the electrochemical storage and conversion of energy. Fundamental contributions were then made by Walther Nernst, who derived the Nernst equation and detected ionic conduction in heterovalently doped zirconia, which he utilized in his Nernst lamp. Another big step forward was the discovery of the extraordinary properties of alpha silver iodide in 1914. In the late 1920s and early 1930s, the concept of point defects was established by Yakov Il'ich Frenkel, Walter Schottky and Carl Wagner, including the development of point-defect thermodynamics by Schottky and Wagner. In terms of point defects, ionic (and electronic) transport in ionic crystals became easy to visualize. In an ‘evolving scheme of materials science’, point disorder precedes structural disorder, as displayed by the AgI-type solid electrolytes (and other ionic crystals), by ion-conducting glasses, polymer electrolytes and nano-composites. During the last few decades, much progress has been made in finding and investigating novel solid electrolytes and in using them for the preservation of our environment, in particular in advanced solid state battery systems, fuel cells and sensors. Since 1972, international conferences have been held in the field of Solid State Ionics, and the International Society for Solid State Ionics was founded at one of them, held at Garmisch-Partenkirchen, Germany, in 1987. PMID:27877585

  6. Solid State Ionics: from Michael Faraday to green energy—the European dimension

    Directory of Open Access Journals (Sweden)

    Klaus Funke

    2013-01-01

    Full Text Available Solid State Ionics has its roots essentially in Europe. First foundations were laid by Michael Faraday who discovered the solid electrolytes Ag2S and PbF2 and coined terms such as cation and anion, electrode and electrolyte. In the 19th and early 20th centuries, the main lines of development toward Solid State Ionics, pursued in Europe, concerned the linear laws of transport, structural analysis, disorder and entropy and the electrochemical storage and conversion of energy. Fundamental contributions were then made by Walther Nernst, who derived the Nernst equation and detected ionic conduction in heterovalently doped zirconia, which he utilized in his Nernst lamp. Another big step forward was the discovery of the extraordinary properties of alpha silver iodide in 1914. In the late 1920s and early 1930s, the concept of point defects was established by Yakov Il'ich Frenkel, Walter Schottky and Carl Wagner, including the development of point-defect thermodynamics by Schottky and Wagner. In terms of point defects, ionic (and electronic transport in ionic crystals became easy to visualize. In an 'evolving scheme of materials science', point disorder precedes structural disorder, as displayed by the AgI-type solid electrolytes (and other ionic crystals, by ion-conducting glasses, polymer electrolytes and nano-composites. During the last few decades, much progress has been made in finding and investigating novel solid electrolytes and in using them for the preservation of our environment, in particular in advanced solid state battery systems, fuel cells and sensors. Since 1972, international conferences have been held in the field of Solid State Ionics, and the International Society for Solid State Ionics was founded at one of them, held at Garmisch-Partenkirchen, Germany, in 1987.

  7. Thermal management of solid state lighting module

    NARCIS (Netherlands)

    Ye, H.

    2014-01-01

    Solid-State Lighting (SSL), powered by Light-Emitting Diodes (LEDs), is an energy-efficient technology for lighting systems. In contrast to incandescent lights which obtain high efficiency at high temperatures, the highest efficiency of LEDs is reached at low temperatures. The thermal management in

  8. Comparison of the half-value layer: ionization chambers vs solid-state meters

    International Nuclear Information System (INIS)

    Pereira, L.C.S.; Navarro, V.C.C.; Navarro, M.V.T.; Macedo, E.M.

    2015-01-01

    Generally, the half value layer (HVL) is determined by using ionization chambers and aluminum filters. However, some solid-state dosimeters allow simultaneous measurements of X-ray's parameters, among which the HVL. The main objective of this study was to compare the HVL's values indicated by four different solid-state dosimeters, whose values were measured by ionization chambers. The maximum difference found between the two methods was 11.42%, one the solid-state dosimeters, showing that the use these instruments to determine CSR in industrial X-ray should be subject to a more thorough evaluation. (author)

  9. Solid state nuclear track detectors

    International Nuclear Information System (INIS)

    Medeiros, J.A.; Carvalho, M.L.C.P. de

    1992-12-01

    Solid state nuclear track detectors (SSNTD) are dielectric materials, crystalline or vitreous, which registers tracks of charged nuclear particles, like alpha particles or fission fragments. Chemical etching of the detectors origin tracks that are visible at the optical microscope: track etching rate is higher along the latent track, where damage due to the charged particle increase the chemical potential, and etching rate giving rise to holes, the etched tracks. Fundamental principles are presented as well as some ideas of main applications. (author)

  10. Solid-State Random Lasers

    CERN Document Server

    Noginov, Mikhail A

    2005-01-01

    Random lasers are the simplest sources of stimulated emission without cavity, with the feedback provided by scattering in a gain medium. First proposed in the late 60’s, random lasers have grown to a large research field. This book reviews the history and the state of the art of random lasers, provides an outline of the basic models describing their behavior, and describes the recent advances in the field. The major focus of the book is on solid-state random lasers. However, it also briefly describes random lasers based on liquid dyes with scatterers. The chapters of the book are almost independent of each other. So, the scientists or engineers interested in any particular aspect of random lasers can read directly the relevant section. Researchers entering the field of random lasers will find in the book an overview of the field of study. Scientists working in the field can use the book as a reference source.

  11. Spring meeting of the DPG Working Group 'Solid state physics'

    International Nuclear Information System (INIS)

    1996-01-01

    The volume contains abstracts of the contributions to the Spring Meeting of the Solid State Physics Section with the topics dielectric solids, thin films, dynamics and statistical physics, semiconductor physics, magnetism, metal physics, surface physics, low temperature physics, vacuum physics and engineering, chemical physics. (MM)

  12. Solid state fermentation (SSF): diversity of applications to valorize waste and biomass.

    Science.gov (United States)

    Lizardi-Jiménez, M A; Hernández-Martínez, R

    2017-05-01

    Solid state fermentation is currently used in a range of applications including classical applications, such as enzyme or antibiotic production, recently developed products, such as bioactive compounds and organic acids, new trends regarding bioethanol and biodiesel as sources of alternative energy, and biosurfactant molecules with environmental purposes of valorising unexploited biomass. This work summarizes the diversity of applications of solid state fermentation to valorize biomass regarding alternative energy and environmental purposes. The success of applying solid state fermentation to a specific process is affected by the nature of specific microorganisms and substrates. An exhaustive number of microorganisms able to grow in a solid matrix are presented, including fungus such as Aspergillus or Penicillum for antibiotics, Rhizopus for bioactive compounds, Mortierella for biodiesel to bacteria, Bacillus for biosurfactant production, or yeast for bioethanol.

  13. Method and system for making integrated solid-state fire-sets and detonators

    Energy Technology Data Exchange (ETDEWEB)

    O' Brien, Dennis W. (Livermore, CA); Druce, Robert L. (Union City, CA); Johnson, Gary W. (Livermore, CA); Vogtlin, George E. (Fremont, CA); Barbee, Jr., Troy W. (Palo Alto, CA); Lee, Ronald S. (Livermore, CA)

    1998-01-01

    A slapper detonator comprises a solid-state high-voltage capacitor, a low-jitter dielectric breakdown switch and trigger circuitry, a detonator transmission line, an exploding foil bridge, and a flier material. All these components are fabricated in a single solid-state device using thin film deposition techniques.

  14. Atomic and solid state physics with the 14UD

    International Nuclear Information System (INIS)

    Newton, C.S.

    1975-02-01

    The use of energetic heavy ions in atomic and solid state physics is discussed. Topics that are discussed include: 1) Properties of excited ions, 2) radiation damage studies by channeling, 3) energy loss of ions and range measurements, 4) oscillating effects in channeling, 5) x-ray production in solids, 6) coherence effects in channeling and 7) formation of united atoms. (author)

  15. Modeling all-solid-state Li-ion batteries

    NARCIS (Netherlands)

    Danilov, D.; Niessen, R.A.H.; Notten, P.H.L.

    2011-01-01

    A mathematical model for all-solid-state Li-ion batteries is presented. The model includes the charge transfer kinetics at the electrode/electrolyte interface, diffusion of lithium in the intercalation electrode, and diffusion and migration of ions in the electrolyte. The model has been applied to

  16. A High Power Linear Solid State Pulser

    International Nuclear Information System (INIS)

    Boris Yen; Brent Davis; Rex Booth

    1999-01-01

    Particle Accelerators require high voltage and often high power. Typically the high voltage/power generation utilizes a topology with an extra energy store and a switching means to extract that stored energy. The switches may be active or passive devices. Active switches are hard or soft vacuum tubes, or semiconductors. When required voltages exceed tens of kilovolts, numerous semiconductors are stacked to withstand that potential. Such topologies can use large numbers of critical parts that, when in series, compromise the system reliability and performance. This paper describes a modular, linear, solid state amplifier which uses a parallel array of semiconductors, coupled with transmission line transformers. Such a design can provide output signals with voltages exceeding 10kV (into 50-ohms), and with rise and fall times (10-90 % amplitude) that are less than 1--ns. This compact solid state amplifier is modular, and has both hot-swap and soft fail capabilities

  17. Broadband spectrally dynamic solid state illumination source

    Energy Technology Data Exchange (ETDEWEB)

    Nicol, David B; Asghar, Ali; Gupta, Shalini; Kang, Hun; Pan, Ming [Georgia Institute of Technology, School of Electrical and Computer Engineering, Atlanta, GA 30332-0250 (United States); Strassburg, Martin [Georgia Institute of Technology, School of Electrical and Computer Engineering, Atlanta, GA 30332-0250 (United States); Georgia State University, Department of Physics and Astronomy, Atlanta, GA 30302-4106 (United States); Summers, Chris; Ferguson, Ian T [Georgia Institute of Technology, School of Materials Science and Engineering, Atlanta, GA 30332 (United States)

    2006-06-15

    Solid state lighting has done well recently in niche markets such as signage and displays, however, no available SSL technologies incorporate all the necessary attributes for general illumination. Development of a novel solid state general illumination source is discussed here. Two LEDs emitting at two distinct wavelengths can be monolithically grown and used to excite two or more phosphors with varied excitation spectra. The combined phosphorescence spectrum can then be controlled by adjusting the relative intensities of the two LED emissions. Preliminary phosphor analysis shows such a scheme to be viable for use in a spectrally dynamic broadband general illumination source. A tunnel junction is envisioned as a means of current spreading in a buried layer for three terminal operation. However, tunnel junction properties in GaN based materials are not well understood, and require further optimization to be practical devices. Preliminary results on GaN tunnel junctions are presented here as well. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  18. Novel Non-Vacuum Fabrication of Solid State Lithium Ion Battery Components

    Energy Technology Data Exchange (ETDEWEB)

    Oladeji, I. [Planar Energy Devices, Inc.; Wood, D. L. [ORNL; Wood, III, D. L.

    2012-10-19

    The purpose of this Cooperative Research and Development Agreement (CRADA) between Oak Ridge National Laboratory (ORNL) and Planar Energy Devices, Inc. was to develop large-scale electroless deposition and photonic annealing processes associated with making all-solid-state lithium ion battery cathode and electrolyte layers. However, technical and processing difficulties encountered in 2011 resulted in the focus of the CRADA being redirected solely to annealing of the cathode thin films. In addition, Planar Energy Devices de-emphasized the importance of annealing of the solid-state electrolytes within the scope of the project, but materials characterization of stabilized electrolyte layers was still of interest. All-solid-state lithium ion batteries are important to automotive and stationary energy storage applications because they would eliminate the problems associated with the safety of the liquid electrolyte in conventional lithium ion batteries. However, all-solid-state batteries are currently produced using expensive, energy consuming vacuum methods suited for small electrode sizes. Transition metal oxide cathode and solid-state electrolyte layers currently require about 30-60 minutes at 700-800°C vacuum processing conditions. Photonic annealing requires only milliseconds of exposure time at high temperature and a total of <1 min of cumulative processing time. As a result, these processing techniques are revolutionary and highly disruptive to the existing lithium ion battery supply chain. The current methods of producing all-solid-state lithium ion batteries are only suited for small-scale, low-power cells and involve high-temperature vacuum techniques. Stabilized LiNixMnyCozAl1-x-y-zO2 (NMCA) nanoparticle films were deposited onto stainless steel substrates using Planar Energy Devices’ streaming process for electroless electrochemical deposition (SPEED). Since successful SPEED trials were demonstrated by Planar Energy Devices with NMCA prior to 2010, this

  19. Method and system for making integrated solid-state fire-sets and detonators

    Science.gov (United States)

    O`Brien, D.W.; Druce, R.L.; Johnson, G.W.; Vogtlin, G.E.; Barbee, T.W. Jr.; Lee, R.S.

    1998-03-24

    A slapper detonator comprises a solid-state high-voltage capacitor, a low-jitter dielectric breakdown switch and trigger circuitry, a detonator transmission line, an exploding foil bridge, and a flier material. All these components are fabricated in a single solid-state device using thin film deposition techniques. 13 figs.

  20. Rechargeable quasi-solid state lithium battery with organic crystalline cathode

    Science.gov (United States)

    Hanyu, Yuki; Honma, Itaru

    2012-01-01

    Utilization of metal-free low-cost high-capacity organic cathodes for lithium batteries has been a long-standing goal, but critical cyclability problems owing to dissolution of active materials into the electrolyte have been an inevitable obstacle. For practical utilisation of numerous cathode-active compounds proposed over the past decades, a novel battery construction strategy is required. We have designed a solid state cell that accommodates organic cathodic reactions in solid phase. The cell was successful at achieving high capacity exceeding 200 mAh/g with excellent cycleability. Further investigations confirmed that our strategy is effective for numerous other redox-active organic compounds. This implies hundreds of compounds dismissed before due to low cycleability would worth a re-visit under solid state design. PMID:22693655

  1. Single longitudinal mode operation of a solid-state dye laser oscillator

    CERN Document Server

    Lim, G; Kim, H S; Cha, B H; Lee, J M

    2000-01-01

    We have operated a single longitudinal mode of a solid-state dye laser oscillator in a Littman configuration. The host material of the solid-state gain medium was rhodamine dye-doped poly (methyl methacrylate). The pumping source was the second harmonic of a Nd:YAG laser with a repetition rate of 10 Hz. The measured linewidth of the laser output was about 1.5 GHz.

  2. Solid state phase change materials for thermal energy storage in passive solar heated buildings

    Science.gov (United States)

    Benson, D. K.; Christensen, C.

    1983-11-01

    A set of solid state phase change materials was evaluated for possible use in passive solar thermal energy storage systems. The most promising materials are organic solid solutions of pentaerythritol, pentaglycerine and neopentyl glycol. Solid solution mixtures of these compounds can be tailored so that they exhibit solid-to-solid phase transformations at any desired temperature within the range from less than 25 deg to 188 deg. Thermophysical properties such as thermal conductivity, density and volumetric expansion were measured. Computer simulations were used to predict the performance of various Trombe wall designs incorporating solid state phase change materials. Optimum performance was found to be sensitive to the choice of phase change temperatures and to the thermal conductivity of the phase change material. A molecular mechanism of the solid state phase transition is proposed and supported by infrared spectroscopic evidence.

  3. Radioactive ion beams and techniques for solid state research

    International Nuclear Information System (INIS)

    Correia, J.G.

    1998-01-01

    In this paper we review the most recent and new applications of solid state characterization techniques using radioactive ion beams. For such type ofresearch, high yields of chemically clean ion beams of radioactive isotopesare needed which are provided by the on-line coupling of high resolution isotope separators to particle accelerators, such as the isotope separator on-line (ISOLDE) facility at CERN. These new experiments are performed by an increasing number of solid state groups. They combine nuclear spectroscopic techniques such as Moessbauer, perturbed angular correlations (PAC) and emission channeling with the traditional non-radioactive techniques liked deep level transient spectroscopy (DLTS) and Hall effect measurements. Recently isotopes of elements, not available before, were successfully used in new PAC experiments, and the first photoluminescence (PL) measurements, where the element transmutation plays the essential role on the PL peak identification, have been performed. The scope of applications of radioactive ion beams for research in solid state physics will be enlarged in the near future, with the installation at ISOLDE of a post-accelerator device providing radioactive beams with energies ranging from a few keV up to a few MeV. (orig.)

  4. Thermoacoustics of solids: A pathway to solid state engines and refrigerators

    Science.gov (United States)

    Hao, Haitian; Scalo, Carlo; Sen, Mihir; Semperlotti, Fabio

    2018-01-01

    Thermoacoustic oscillations have been one of the most exciting discoveries of the physics of fluids in the 19th century. Since its inception, scientists have formulated a comprehensive theoretical explanation of the basic phenomenon which has later found several practical applications to engineering devices. To date, all studies have concentrated on the thermoacoustics of fluid media where this fascinating mechanism was exclusively believed to exist. Our study shows theoretical and numerical evidence of the existence of thermoacoustic instabilities in solid media. Although the underlying physical mechanism exhibits some interesting similarities with its counterpart in fluids, the theoretical framework highlights relevant differences that have important implications on the ability to trigger and sustain the thermoacoustic response. This mechanism could pave the way to the development of highly robust and reliable solid-state thermoacoustic engines and refrigerators.

  5. Equation of state of solid hydrogen at 0 deg K. A bibliography

    International Nuclear Information System (INIS)

    Masse, J.-L.

    1976-02-01

    A bibliography on solid hydrogen at 0 deg K and its equation of state is presented. The isotopic derivatives of H 2 , such as D 2 , HD... have been also considered. Both phases of solid hydrogen have been studied: the molecular phase, stable at low pressure, and the hypothetical metallic phase which must be stable at high pressure. The study of the molecular phase is preceded by a study of the (H 2 ,H 2 ) system of two interacting H 2 , molecules, the knowledge of this interaction being necessary for the evaluation of the properties of the molecular solid phase. The three systems: (H 2 ,H 2 ) and molecular solid and metallic hydrogen have been considered from the experimental and theoretical points of view. The properties of these systems, the measurement or the calculation of which are described, have been chosen on account of their usefulness for the research of the equation of state of molecular or metallic solid hydrogen. Different interaction potentials of two hydrogen molecules and different equations of state of molecular solid hydrogen are given. Some theoretical studies are proposed [fr

  6. Majorana modes in solid state systems and its dynamics

    Science.gov (United States)

    Zhang, Qi; Wu, Biao

    2018-04-01

    We review the properties of Majorana fermions in particle physics and point out that Majorana modes in solid state systems are significantly different. The key reason is the concept of anti-particle in solid state systems is different from its counterpart in particle physics. We define Majorana modes as the eigenstates of Majorana operators and find that they can exist both at edges and in the bulk. According to our definition, only one single Majorana mode can exist in a system no matter at edges or in the bulk. Kitaev's spinless p-wave superconductor is used to illustrate our results and the dynamical behavior of the Majorana modes.

  7. Peakr: simulating solid-state NMR spectra of proteins

    International Nuclear Information System (INIS)

    Schneider, Robert; Odronitz, Florian; Hammesfahr, Bjorn; Hellkamp, Marcel; Kollmar, Martin

    2013-01-01

    When analyzing solid-state nuclear magnetic resonance (NMR) spectra of proteins, assignment of resonances to nuclei and derivation of restraints for 3D structure calculations are challenging and time-consuming processes. Simulated spectra that have been calculated based on, for example, chemical shift predictions and structural models can be of considerable help. Existing solutions are typically limited in the type of experiment they can consider and difficult to adapt to different settings. Here, we present Peakr, a software to simulate solid-state NMR spectra of proteins. It can generate simulated spectra based on numerous common types of internuclear correlations relevant for assignment and structure elucidation, can compare simulated and experimental spectra and produces lists and visualizations useful for analyzing measured spectra. Compared with other solutions, it is fast, versatile and user friendly. (authors)

  8. Unveiling multiple solid-state transitions in pharmaceutical solid dosage forms using multi-series hyperspectral imaging and different curve resolution approaches

    DEFF Research Database (Denmark)

    Alexandrino, Guilherme L; Amigo Rubio, Jose Manuel; Khorasani, Milad Rouhi

    2017-01-01

    Solid-state transitions at the surface of pharmaceutical solid dosage forms (SDF) were monitored using multi-series hyperspectral imaging (HSI) along with Multivariate Curve Resolution – Alternating Least Squares (MCR-ALS) and Parallel Factor Analysis (PARAFAC and PARAFAC2). First, the solid-stat...

  9. A Model of the Effect of the Microbial Biomass on the Isotherm of the Fermenting Solids in Solid-State Fermentation

    Directory of Open Access Journals (Sweden)

    Barbara Celuppi Marques

    2006-01-01

    Full Text Available We compare isotherms for soybeans and soybeans fermented with Rhizopus oryzae, showing that in solid-state fermentation the biomass affects the isotherm of the fermenting solids. Equations are developed to calculate, for a given overall water content of the fermenting solids, the water contents of the biomass and residual substrate, as well as the water activity. A case study, undertaken using a mathematical model of a well-mixed bioreactor, shows that if water additions are made on the basis of the assumption that fermenting solids have the same isotherm as the substrate itself, poor growth can result since the added water does not maintain the water activity at levels favorable for growth. We conclude that the effect of the microbial biomass on the isotherm of the fermenting solids must be taken into account in mathematical models of solid-state fermentation bioreactors.

  10. Electron density reactivity indexes of the tautomeric/ionization forms of thiamin diphosphate.

    Science.gov (United States)

    Jaña, Gonzalo A; Delgado, Eduardo J

    2013-09-01

    The generation of the highly reactive ylide in thiamin diphosphate catalysis is analyzed in terms of the nucleophilicity of key atoms, by means of density functional calculations at X3LYP/6-31++G(d,p) level of theory. The Fukui functions of all tautomeric/ionization forms are calculated in order to assess their reactivity. The results allow to conclude that the highly conserved glutamic residue does not protonate the N1' atom of the pyrimidyl ring, but it participates in a strong hydrogen bonding, stabilizing the eventual negative charge on the nitrogen, in all forms involved in the ylide generation. This condition provides the necessary reactivity on key atoms, N4' and C2, to carry out the formation of the ylide required to initiate the catalytic cycle of ThDP-dependent enzymes. This study represents a new approach for the ylide formation in ThDP catalysis.

  11. Initial clinical experience with dedicated ultra fast solid state cardiac gamma camera

    International Nuclear Information System (INIS)

    Aland, Nusrat; Lele, V.

    2010-01-01

    Full text: To analyze the imaging and diagnostic performance of new dedicated ultra fast solid state detector gamma camera and compare it with standard dual detector gamma camera in myocardial perfusion imaging. Material and Methods: In total 900 patients underwent myocardial perfusion imaging between 1st February 2010 and 29th August 2010 either stress/rest or rest/stress protocol. There was no age or gender bias (there were 630 males and 270 females). 5 and 15 mCi of 99m Tc - Tetrofosmin/MIBI was injected for 1st and 2nd part of the study respectively. Waiting period after injection was 20 min for regular stress and 40 min for pharmacological stress and 40 min after rest injection. Acquisition was performed on solid state detector gamma camera for a duration of 5 min and 3 min for 1st and 2nd part respectively. Interpretation of myocardial perfusion was done and QGS/QPS protocol was used for EF analysis. Out of these, 20 random patients underwent back to back myocardial perfusion SPECT imaging on standard dual detector gamma camera on same day. There was no age or gender bias (there were 9 males, 11 females). Acquisition time was 20 min for each part of the study. Interpretation was done using Autocard and EF analyses with 4 DM SPECT. Images obtained were then compared with those of solid state detector gamma camera. Result: Good quality and high count myocardial perfusion images were obtained with lesser amount of tracer activity on solid state detector gamma camera. Obese patients also showed good quality images with less tracer activity. As compared to conventional dual detector gamma camera images were brighter and showed better contrast with solid state gamma camera. Right ventricular imaging was better seen. Analyses of diastolic dysfunction was possible with 16 frame gated studies with solid state gamma camera. Shorter acquisition time with comfortable position reduced possibility of patient motion. All cardiac views were obtained with no movement of the

  12. Graphene/activated carbon supercapacitors with sulfonated-polyetheretherketone as solid-state electrolyte and multifunctional binder

    Science.gov (United States)

    Chen, Y.-R.; Chiu, K.-F.; Lin, H. C.; Chen, C.-L.; Hsieh, C. Y.; Tsai, C. B.; Chu, B. T. T.

    2014-11-01

    Sulfonated polyetheretherketone (SPEEK) has been synthesised by sulphonation process and used as the solid-state electrolyte, binder and surfactant for supercapacitors. Reduced graphene dispersed by SPEEK is used as a high-efficiency conducting additive in solid-state supercapacitors. It is found that SPEEK can improve the stability of the reduced graphene dispersion significantly, and therefore, the solid-state supercapacitors show a large decrease in IR drop and charge-transfer resistance (Rct), resulting in a higher rate capability. The solid-state supercapacitors with the activated carbon/reduced graphene/SPEEK/electrode can be operated from 1 to 8 A/g and exhibit capacity retention of 93%. The noteworthy is more than twice higher value for capacity retention by comparison with the solid-state supercapacitors using activated carbon/reduced graphene/PVDF electrode (capacity retention is 36%). The cell of reduced graphene with SPEEK can be cycled over 5000 times at 5 A/g with no capacitance fading.

  13. Lithiated and sulphonated poly(ether ether ketone) solid state electrolyte films for supercapacitors

    Energy Technology Data Exchange (ETDEWEB)

    Chiu, K.-F.; Su, S.-H., E-mail: minimono42@gmail.com

    2013-10-01

    Poly(ether ether ketone) (PEEK) films have been synthesised and used as solid-state electrolytes for supercapacitors. In order to increase their ion conductivity, the PEEK films were sulphonated by sulphuric acid, and various amounts of LiClO{sub 4} were added. The solid-state electrolyte films were characterised by Fourier transform infrared spectroscopy, scanning electron microscopy, energy-dispersive X-ray spectroscopy, and thermogravimetric analysis. The ionic conductivities of the electrolyte films were analysed by performing electrochemical impedance spectroscopy. The obtained electrolyte films can be sandwiched or directly coated on activated carbon electrodes to form solid-state supercapacitors. The electrochemical characteristics of these supercapacitors were investigated by performing cyclic voltammetry and charge–discharge tests. Under an optimal content of LiClO{sub 4}, the supercapacitor can provide a capacitance as high as 190 F/g. After 1000 cycles, the supercapacitors show almost no capacitance fading, indicating high stability of the solid-state electrolyte films. - Highlights: • Poly(ether ether ketone) (PEEK) films have been used as solid-state electrolytes. • LiClO4 addition can efficiently improve the ionic conductivity. • Supercapacitors using PEEK electrolyte films deliver high capacitance.

  14. Molecularly Engineered Azobenzene Derivatives for High Energy Density Solid-State Solar Thermal Fuels.

    Science.gov (United States)

    Cho, Eugene N; Zhitomirsky, David; Han, Grace G D; Liu, Yun; Grossman, Jeffrey C

    2017-03-15

    Solar thermal fuels (STFs) harvest and store solar energy in a closed cycle system through conformational change of molecules and can release the energy in the form of heat on demand. With the aim of developing tunable and optimized STFs for solid-state applications, we designed three azobenzene derivatives functionalized with bulky aromatic groups (phenyl, biphenyl, and tert-butyl phenyl groups). In contrast to pristine azobenzene, which crystallizes and makes nonuniform films, the bulky azobenzene derivatives formed uniform amorphous films that can be charged and discharged with light and heat for many cycles. Thermal stability of the films, a critical metric for thermally triggerable STFs, was greatly increased by the bulky functionalization (up to 180 °C), and we were able to achieve record high energy density of 135 J/g for solid-state STFs, over a 30% improvement compared to previous solid-state reports. Furthermore, the chargeability in the solid state was improved, up to 80% charged from 40% charged in previous solid-state reports. Our results point toward molecular engineering as an effective method to increase energy storage in STFs, improve chargeability, and improve the thermal stability of the thin film.

  15. Lithiated and sulphonated poly(ether ether ketone) solid state electrolyte films for supercapacitors

    International Nuclear Information System (INIS)

    Chiu, K.-F.; Su, S.-H.

    2013-01-01

    Poly(ether ether ketone) (PEEK) films have been synthesised and used as solid-state electrolytes for supercapacitors. In order to increase their ion conductivity, the PEEK films were sulphonated by sulphuric acid, and various amounts of LiClO 4 were added. The solid-state electrolyte films were characterised by Fourier transform infrared spectroscopy, scanning electron microscopy, energy-dispersive X-ray spectroscopy, and thermogravimetric analysis. The ionic conductivities of the electrolyte films were analysed by performing electrochemical impedance spectroscopy. The obtained electrolyte films can be sandwiched or directly coated on activated carbon electrodes to form solid-state supercapacitors. The electrochemical characteristics of these supercapacitors were investigated by performing cyclic voltammetry and charge–discharge tests. Under an optimal content of LiClO 4 , the supercapacitor can provide a capacitance as high as 190 F/g. After 1000 cycles, the supercapacitors show almost no capacitance fading, indicating high stability of the solid-state electrolyte films. - Highlights: • Poly(ether ether ketone) (PEEK) films have been used as solid-state electrolytes. • LiClO4 addition can efficiently improve the ionic conductivity. • Supercapacitors using PEEK electrolyte films deliver high capacitance

  16. Quantum theory of the solid state part B

    CERN Document Server

    Callaway, Joseph

    1974-01-01

    Quantum Theory of the Solid State, Part B describes the concepts and methods of the central problems of the quantum theory of solids. This book discusses the developed machinery applied to impurities, disordered systems, effects of external fields, transport phenomena, and superconductivity. The representation theory, low field diamagnetic susceptibility, electron-phonon interaction, and Landau theory of fermi liquids are also deliberated. This text concludes with an introduction to many-body theory and some applications. This publication is a suitable textbook for students who have completed

  17. Advanced materials for solid state hydrogen storage: “Thermal engineering issues”

    International Nuclear Information System (INIS)

    Srinivasa Murthy, S.; Anil Kumar, E.

    2014-01-01

    Hydrogen has been widely recognized as the “Energy Carrier” of the future. Efficient, reliable, economical and safe storage and delivery of hydrogen form important aspects in achieving success of the “Hydrogen Economy”. Gravimetric and volumetric storage capacities become important when one considers portable and mobile applications of hydrogen. In the case of solid state hydrogen storage, the gas is reversibly embedded (by physisorption and/or chemisorption) in a solid matrix. A wide variety of materials such as intermetallics, physisorbents, complex hydrides/alanates, metal organic frameworks, etc. have been investigated as possible storage media. This paper discusses the feasibility of lithium– and sodium–aluminum hydrides with emphasis on their thermodynamic and thermo-physical properties. Drawbacks such as poor heat transfer characteristics and poor kinetics demand special attention to the thermal design of solid state storage devices. - Highlights: • Advanced materials suitable for solid state hydrogen storage are discussed. • Issues related to thermodynamic and thermo-physical properties of hydriding materials are brought out. • Hydriding and dehydriding behavior including sorption kinetics of complex hydrides with emphasis on alanates are explained

  18. Recent Developments of All-Solid-State Lithium Secondary Batteries with Sulfide Inorganic Electrolytes.

    Science.gov (United States)

    Xu, Ruochen; Zhang, Shengzhao; Wang, Xiuli; Xia, Yan; Xia, Xinhui; Wu, Jianbo; Gu, Changdong; Tu, Jiangping

    2018-04-20

    Due to the increasing demand of security and energy density, all-solid-state lithium ion batteries have become the promising next-generation energy storage devices to replace the traditional liquid batteries with flammable organic electrolytes. In this Minireview, we focus on the recent developments of sulfide inorganic electrolytes for all-solid-state batteries. The challenges of assembling bulk-type all-solid-state batteries for industrialization are discussed, including low ionic conductivity of the present sulfide electrolytes, high interfacial resistance and poor compatibility between electrolytes and electrodes. Many efforts have been focused on the solutions for these issues. Although some progresses have been achieved, it is still far away from practical application. The perspectives for future research on all-solid-state lithium ion batteries are presented. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Non-affine deformation in microstructure selection in solids II: Elastoplastic theory for the dynamics of solid state transformations

    Energy Technology Data Exchange (ETDEWEB)

    Paul, Arya; Bhattacharya, Jayee; Sengupta, Surajit [S N Bose National Centre for Basic Sciences, Block JD, Sector III, Salt Lake, Calcutta 700 098 (India); Rao, Madan [Raman Research Institute, C V Raman Avenue, Bangalore 560 080 (India)

    2008-09-10

    We study the nucleation dynamics of a model solid state transformation and the criterion for microstructure selection. Using a molecular dynamics (MD) simulation, we had shown that the dynamics of the solid is accompanied by the creation of transient non-affine zones (NAZ), which evolve with the rapidly moving transformation front. Guided by our MD results, we formulate a dynamical continuum theory of solid state transformation, which couples the elastic strain to the non-affine deformation. We demonstrate that our elastoplastic description recovers all qualitative features of the MD simulation. We construct a dynamical phase diagram for microstructure selection, including regimes where martensite or ferrite obtains, in addition to making several testable predictions.

  20. Solid State Energy Conversion Alliance (SECA) Solid Oxide Fuel Cell Program

    Energy Technology Data Exchange (ETDEWEB)

    Nguyen Minh

    2006-07-31

    This report summarizes the work performed for Phase I (October 2001 - August 2006) under Cooperative Agreement DE-FC26-01NT41245 for the U. S. Department of Energy, National Energy Technology Laboratory (DOE/NETL) entitled 'Solid State Energy Conversion Alliance (SECA) Solid Oxide Fuel Cell Program'. The program focuses on the development of a low-cost, high-performance 3-to-10-kW solid oxide fuel cell (SOFC) system suitable for a broad spectrum of power-generation applications. During Phase I of the program significant progress has been made in the area of SOFC technology. A high-efficiency low-cost system was designed and supporting technology developed such as fuel processing, controls, thermal management, and power electronics. Phase I culminated in the successful demonstration of a prototype system that achieved a peak efficiency of 41%, a high-volume cost of $724/kW, a peak power of 5.4 kW, and a degradation rate of 1.8% per 500 hours. . An improved prototype system was designed, assembled, and delivered to DOE/NETL at the end of the program. This prototype achieved an extraordinary peak efficiency of 49.6%.

  1. Rapid Thermal Annealing of Cathode-Garnet Interface toward High-Temperature Solid State Batteries.

    Science.gov (United States)

    Liu, Boyang; Fu, Kun; Gong, Yunhui; Yang, Chunpeng; Yao, Yonggang; Wang, Yanbin; Wang, Chengwei; Kuang, Yudi; Pastel, Glenn; Xie, Hua; Wachsman, Eric D; Hu, Liangbing

    2017-08-09

    High-temperature batteries require the battery components to be thermally stable and function properly at high temperatures. Conventional batteries have high-temperature safety issues such as thermal runaway, which are mainly attributed to the properties of liquid organic electrolytes such as low boiling points and high flammability. In this work, we demonstrate a truly all-solid-state high-temperature battery using a thermally stable garnet solid-state electrolyte, a lithium metal anode, and a V 2 O 5 cathode, which can operate well at 100 °C. To address the high interfacial resistance between the solid electrolyte and cathode, a rapid thermal annealing method was developed to melt the cathode and form a continuous contact. The resulting interfacial resistance of the solid electrolyte and V 2 O 5 cathode was significantly decreased from 2.5 × 10 4 to 71 Ω·cm 2 at room temperature and from 170 to 31 Ω·cm 2 at 100 °C. Additionally, the diffusion resistance in the V 2 O 5 cathode significantly decreased as well. The demonstrated high-temperature solid-state full cell has an interfacial resistance of 45 Ω·cm 2 and 97% Coulombic efficiency cycling at 100 °C. This work provides a strategy to develop high-temperature all-solid-state batteries using garnet solid electrolytes and successfully addresses the high contact resistance between the V 2 O 5 cathode and garnet solid electrolyte without compromising battery safety or performance.

  2. Molecular and solid-state properties of tris-(8-hydroxyquinolate)-aluminum

    International Nuclear Information System (INIS)

    Martin, Richard L.; Kress, Joel D.; Campbell, I. H.; Smith, D. L.

    2000-01-01

    We use a hybrid density-functional-theory approach to calculate ground-state electronic properties and a time-dependent density-functional-theory approach to investigate the excited state electronic properties of molecular tris-(8-hydroxyquinolate)-aluminum, Alq. The calculated molecular results are compared with measurements on dense solid-state films of Alq. We specifically consider: the optical absorption spectrum near the fundamental absorption threshold, the ionization potential, the single-particle energy gap, the static dielectric constant, and the electric-field dependence of the electron mobility. We find that the molecular calculations can describe the optical absorption spectrum near the fundamental absorption threshold without significant corrections for solid-state effects. The energies of the triplet excited states are computed and the lowest triplet is found to lie 0.64 eV below the lowest excited singlet state. In contrast, large dielectric corrections must be included for the molecular calculations to describe the ionization potential and single-particle energy gap. When these dielectric corrections are made, using the calculated molecular polarizability, which accurately gives the measured static dielectric constant, both the ionization potential and single-particle energy gap are well described. The calculated molecular dipole moment can be used to interpret the electric-field dependence of the electron mobility. The solid-state properties, determined from the molecular calculations, are then used in a device model to describe the measured current-voltage characteristics in Alq diodes. (c) 2000 The American Physical Society

  3. Chemical imaging and solid state analysis at compact surfaces using UV imaging

    DEFF Research Database (Denmark)

    Wu, Jian X.; Rehder, Sönke; van den Berg, Frans

    2014-01-01

    and excipients in a non-invasive way, as well as mapping the glibenclamide solid state form. An exploratory data analysis supported the critical evaluation of the mapping results and the selection of model parameters for the chemical mapping. The present study demonstrated that the multi-wavelength UV imaging......Fast non-destructive multi-wavelength UV imaging together with multivariate image analysis was utilized to visualize distribution of chemical components and their solid state form at compact surfaces. Amorphous and crystalline solid forms of the antidiabetic compound glibenclamide...

  4. Solid State Research, 1980:4

    Science.gov (United States)

    1980-10-31

    Fetterman G. A. Koepf* P. F. Goldsmith6 B.J. Clifton D. Buhl* N. R. Eriekson" D.D. Peck N. McAvoy* P. F. Tannenwald Accepted by Science St40... Fetterman 22 **** -^m^m-i^jm^ -«%, j». ■*** REFERENCES 1. Solid State Research Report, Lincoln Laboratory, M.I.T. (1980:2), pp. 11-12. DTK? AD-A092724...17. M.G. Raymer, J. Mostowski, and J. L. Carlsten, Phys. Rev. A 19, 2304(1979). - 18. W. A.M. Blumberg, U.R. Fetterman , D.D. Peck, and P.F

  5. Sodium dodecyl benzene sulphonate mediated tautomerism of Eriochrome Black-T: Effect of charge transfer interaction

    Science.gov (United States)

    Ghosh, Sumit

    2010-11-01

    Interaction between anionic surfactant, sodium dodecyl benzene sulphonate, (SDBS) and an anionic dye Eriochrome Black-T, (EBT) has been investigated by visible spectroscopy, conductometry, dynamic light scattering and zeta potential measurements. Spectral changes of EBT observed on addition of SDBS indicate formation of quinone-hydrazone tautomer at pH 7.0, whereas in absence of SDBS this change appears at pH ˜ 9.45. However, at pH 7.0 this change in tautomerism is not observed in presence of sodium dodecyl sulphate (SDS). Experimental results indicate presence of charge transfer interaction between less stable quinone-hydrazone tautomer of EBT and SDBS molecules, which is confirmed using Benesi-Hildebrand and Scott equations.

  6. Reducing environmental burdens of solid-state lighting through end-of-life design

    International Nuclear Information System (INIS)

    Hendrickson, C T; Matthews, D H; Ashe, M; Jaramillo, P; McMichael, F C

    2010-01-01

    With 20% of US electricity used for lighting, energy efficient solid-state lighting technology could have significant benefits. While energy efficiency in use is important, the life cycle cost, energy and environmental impacts of light-emitting diode (LED) solid-state lighting could be reduced by reusing, remanufacturing or recycling components of the end products. Design decisions at this time for the nascent technology can reduce material and manufacturing burdens by considering the ease of disassembly, potential for remanufacturing, and recovery of parts and materials for reuse and recycling. We use teardowns of three commercial solid-state lighting products designed to fit in conventional Edison light bulb sockets to analyze potential end-of-life reuse strategies for solid-state lighting and recommend strategies for the industry. Current lamp designs would benefit from standardization of part connections to facilitate disassembly and remanufacturing of components, and fewer material types in structural pieces to maximize homogeneous materials recovery. The lighting industry should also start now to develop an effective product take-back system for collecting future end-of-life products.

  7. Reducing environmental burdens of solid-state lighting through end-of-life design

    Energy Technology Data Exchange (ETDEWEB)

    Hendrickson, C T; Matthews, D H; Ashe, M; Jaramillo, P; McMichael, F C, E-mail: cth@cmu.ed [Green Design Institute, Carnegie Mellon University (United States)

    2010-01-15

    With 20% of US electricity used for lighting, energy efficient solid-state lighting technology could have significant benefits. While energy efficiency in use is important, the life cycle cost, energy and environmental impacts of light-emitting diode (LED) solid-state lighting could be reduced by reusing, remanufacturing or recycling components of the end products. Design decisions at this time for the nascent technology can reduce material and manufacturing burdens by considering the ease of disassembly, potential for remanufacturing, and recovery of parts and materials for reuse and recycling. We use teardowns of three commercial solid-state lighting products designed to fit in conventional Edison light bulb sockets to analyze potential end-of-life reuse strategies for solid-state lighting and recommend strategies for the industry. Current lamp designs would benefit from standardization of part connections to facilitate disassembly and remanufacturing of components, and fewer material types in structural pieces to maximize homogeneous materials recovery. The lighting industry should also start now to develop an effective product take-back system for collecting future end-of-life products.

  8. Depletion mode pumping of solid state lasers

    International Nuclear Information System (INIS)

    Mundinger, D.; Solarz, R.; Beach, R.; Albrecht, G.; Krupke, W.

    1990-01-01

    Depletion mode pumping of solid state lasers is a new concept which offers features that are of interest for many practical applications. In this paper the authors discuss the physical properties and mechanisms that set the design requirements, present model calculations for a practical laser design, and discuss the results of recent experiments

  9. Detection of DNA hybridizations using solid-state nanopores

    International Nuclear Information System (INIS)

    Balagurusamy, Venkat S K; Weinger, Paul; Sean Ling, Xinsheng

    2010-01-01

    We report an experimental study of using DNA translocation through solid-state nanopores to detect the sequential arrangement of two double-stranded 12-mer hybridization segments on a single-stranded DNA molecule. The sample DNA is a trimer molecule formed by hybridizing three single-stranded oligonucleotides. A polystyrene bead is attached to the end of the trimer DNA, providing a mechanism in slowing down the translocation and suppressing the thermal diffusion, thereby allowing the detection of short features of DNA by standard patch-clamp electronics. The electrical signature of the translocation of a trimer molecule through a nanopore has been identified successfully in the temporal traces of ionic current. The results reported here represent the first successful attempt in using a solid-state nanopore as an ionic scanning device in resolving individual hybridization segments (or 'probes') on a DNA molecule.

  10. Detection of DNA hybridizations using solid-state nanopores

    Energy Technology Data Exchange (ETDEWEB)

    Balagurusamy, Venkat S K; Weinger, Paul; Sean Ling, Xinsheng, E-mail: Xinsheng_Ling@brown.edu [Department of Physics, Brown University, Providence, RI 02912 (United States)

    2010-08-20

    We report an experimental study of using DNA translocation through solid-state nanopores to detect the sequential arrangement of two double-stranded 12-mer hybridization segments on a single-stranded DNA molecule. The sample DNA is a trimer molecule formed by hybridizing three single-stranded oligonucleotides. A polystyrene bead is attached to the end of the trimer DNA, providing a mechanism in slowing down the translocation and suppressing the thermal diffusion, thereby allowing the detection of short features of DNA by standard patch-clamp electronics. The electrical signature of the translocation of a trimer molecule through a nanopore has been identified successfully in the temporal traces of ionic current. The results reported here represent the first successful attempt in using a solid-state nanopore as an ionic scanning device in resolving individual hybridization segments (or 'probes') on a DNA molecule.

  11. Solid State Division annual progress report for period ending December 31, 1975

    International Nuclear Information System (INIS)

    Wilkinson, M.K.; Young, F.W. Jr.

    1976-05-01

    Research activities are reported in programs on theoretical solid state physics, physical properties of solids, radiation effects in metals, neutron scattering, research materials, and isotope research materials

  12. PEO nanocomposite polymer electrolyte for solid state symmetric ...

    Indian Academy of Sciences (India)

    cells/supercapacitors) to electro-chromic displays, smart windows and ... electrolytes and their usage in lithium ion rechargeable solid state batteries are well .... the experimental plot using the Arrhenius relationship σ = σ0exp(−Ea/kT) where ...

  13. Solid-State Division progress report for period ending March 31, 1983

    International Nuclear Information System (INIS)

    Green, P.H.; Watson, D.M.

    1983-09-01

    Progress and activities are reported on: theoretical solid-state physics (surfaces; electronic, vibrational, and magnetic properties; particle-solid interactions; laser annealing), surface and near-surface properties of solids (surface, plasma-material interactions, ion implantation and ion-beam mixing, pulsed-laser and thermal processing), defects in solids (radiation effects, fracture, impurities and defects, semiconductor physics and photovoltaic conversion), transport properties of solids (fast-ion conductors, superconductivity, mass and charge transport in materials), neutron scattering (small-angle scattering, lattice dynamics, magnetic properties, structure and instrumentation), and preparation and characterization of research materials (growth and preparative methods, nuclear waste forms, special materials)

  14. Solid-State Division progress report for period ending March 31, 1983

    Energy Technology Data Exchange (ETDEWEB)

    Green, P.H.; Watson, D.M. (eds.)

    1983-09-01

    Progress and activities are reported on: theoretical solid-state physics (surfaces; electronic, vibrational, and magnetic properties; particle-solid interactions; laser annealing), surface and near-surface properties of solids (surface, plasma-material interactions, ion implantation and ion-beam mixing, pulsed-laser and thermal processing), defects in solids (radiation effects, fracture, impurities and defects, semiconductor physics and photovoltaic conversion), transport properties of solids (fast-ion conductors, superconductivity, mass and charge transport in materials), neutron scattering (small-angle scattering, lattice dynamics, magnetic properties, structure and instrumentation), and preparation and characterization of research materials (growth and preparative methods, nuclear waste forms, special materials). (DLC)

  15. Solid State Division annual progress report for period ending December 31, 1975

    Energy Technology Data Exchange (ETDEWEB)

    Wilkinson, M.K.; Young, F.W. Jr.

    1976-05-01

    Research activities are reported in programs on theoretical solid state physics, physical properties of solids, radiation effects in metals, neutron scattering, research materials, and isotope research materials. (JRD)

  16. Photoemission from excited states in rare gas solids by combining synchrotronradiation with a laser

    International Nuclear Information System (INIS)

    Bernstorff, S.

    1984-09-01

    A new spectroscopic method has been developed to study excited states in rare gas solids: Excitons and conductionband-states are populated by synchrotron radiation (photon energy hw SR =5 - 30 eV). Subsequently electrons from these bound or conduction band-states are excited above the vacuum level of the solid by a pulsed dye laser (hw L =1.9 - 3.7 eV). This experimental technique was applied to solid Xe, Kr, Ar and Ne. (orig./GSCH)

  17. Solid state conformational classification of eight-membered rings

    DEFF Research Database (Denmark)

    Pérez, J.; García, L.; Kessler, M.

    2005-01-01

    A statistical classification of the solid state conformation in the title complexes using data retrieved from the Cambridge Structural Database (CSD) has been made. Phosphate and phosphinate complexes show a chair conformation preferably. In phosphonate complexes, the most frequent conformations...

  18. Rational coating of Li7P3S11 solid electrolyte on MoS2 electrode for all-solid-state lithium ion batteries

    Science.gov (United States)

    Xu, R. C.; Wang, X. L.; Zhang, S. Z.; Xia, Y.; Xia, X. H.; Wu, J. B.; Tu, J. P.

    2018-01-01

    Large interfacial resistance between electrode and electrolyte limits the development of high-performance all-solid-state batteries. Herein we report a uniform coating of Li7P3S11 solid electrolyte on MoS2 to form a MoS2/Li7P3S11 composite electrode for all-solid-state lithium ion batteries. The as-synthesized Li7P3S11 processes a high ionic of 2.0 mS cm-1 at room temperature. Due to homogeneous union and reduced interfacial resistance, the assembled all-solid-state batteries with the MoS2/Li7P3S11 composite electrode exhibit higher reversible capacity of 547.1 mAh g-1 at 0.1 C and better cycling stability than the counterpart based on untreated MoS2. Our study provides a new reference for design/fabrication of advanced electrode materials for high-performance all-solid-state batteries.

  19. Ultimate gradient in solid-state accelerators

    International Nuclear Information System (INIS)

    Whittum, D.H.

    1998-08-01

    The authors recall the motivation for research in high-gradient acceleration and the problems posed by a compact collider. They summarize the phenomena known to appear in operation of a solid-state structure with large fields, and research relevant to the question of the ultimate gradient. They take note of new concepts, and examine one in detail, a miniature particle accelerator based on an active millimeter-wave circuit and parallel particle beams

  20. Rechargeable sodium all-solid-state battery

    International Nuclear Information System (INIS)

    Zhou, Weidong; Li, Yutao; Xin, Sen; Goodenough, John B.

    2017-01-01

    A reversible plating/stripping of a dendrite-free metallic-sodium anode with a reduced anode/ceramic interfacial resistance is created by a thin interfacial interlayer formed in situ or by the introduction of a dry polymer film. Wetting of the sodium on the interfacial interlayer suppresses dendrite formation and growth at different discharge/charge C-rates. Furthermore, all-solid-state batteries were obtained with a high cycling stability and Coulombic efficiency at 65 °C.

  1. Standardized Testing Program for Solid-State Hydrogen Storage Technologies

    Energy Technology Data Exchange (ETDEWEB)

    Miller, Michael A. [Southwest Research Institute; Page, Richard A. [Southwest Research Institute

    2012-07-30

    In the US and abroad, major research and development initiatives toward establishing a hydrogen-based transportation infrastructure have been undertaken, encompassing key technological challenges in hydrogen production and delivery, fuel cells, and hydrogen storage. However, the principal obstacle to the implementation of a safe, low-pressure hydrogen fueling system for fuel-cell powered vehicles remains storage under conditions of near-ambient temperature and moderate pressure. The choices for viable hydrogen storage systems at the present time are limited to compressed gas storage tanks, cryogenic liquid hydrogen storage tanks, chemical hydrogen storage, and hydrogen absorbed or adsorbed in a solid-state material (a.k.a. solid-state storage). Solid-state hydrogen storage may offer overriding benefits in terms of storage capacity, kinetics and, most importantly, safety.The fervor among the research community to develop novel storage materials had, in many instances, the unfortunate consequence of making erroneous, if not wild, claims on the reported storage capacities achievable in such materials, to the extent that the potential viability of emerging materials was difficult to assess. This problem led to a widespread need to establish a capability to accurately and independently assess the storage behavior of a wide array of different classes of solid-state storage materials, employing qualified methods, thus allowing development efforts to focus on those materials that showed the most promise. However, standard guidelines, dedicated facilities, or certification programs specifically aimed at testing and assessing the performance, safety, and life cycle of these emergent materials had not been established. To address the stated need, the Testing Laboratory for Solid-State Hydrogen Storage Technologies was commissioned as a national-level focal point for evaluating new materials emerging from the designated Materials Centers of Excellence (MCoE) according to

  2. All Solid State Optical Pulse Shaper for the OMEGA Laser Fusion Facility

    International Nuclear Information System (INIS)

    Okishev, A.V.; Skeldon, M.D.; Keck, R.L.; Seka, W.

    2000-01-01

    OAK-B135 All Solid State Optical Pulse Shaper for the OMEGA Laser Fusion Facility. The authors have developed an all-solid-state, compact, computer-controlled, flexible optical pulse shaper for the OMEGA laser facility. This pulse shaper produces high bandwidth, temporally shaped laser pulses that meet OMEGA requirements. The design is a significant simplification over existing technology with improved performance capabilities

  3. Extending solid state laser performance

    Science.gov (United States)

    Miesak, Ed

    2017-02-01

    Coherent Diode-Pumped Solid-State Orlando (CDO), formerly known as Lee Laser, headquartered in Orlando Florida produces CW and pulsed solid state lasers. Primary wavelengths include 1064 nm, 532 nm, and 355 nm. Other wavelengths produced include 1320 nm, 15xx nm, and 16xx nm. Pulse widths are in the range of singles to hundreds of nanoseconds. Average powers are in the range of a few watts to 1000 watts. Pulse repetition rates are typically in the range of 100 Hz to 100 KHz. Laser performance parameters are often modified according to customer requests. Laser parameters that can be adjusted include average power, pulse repetition rate, pulse length, beam quality, and wavelength. Laser parameters are typically cross-coupled such that adjusting one may change some or all of the others. Customers often request one or more parameters be changed without changing any of the remaining parameters. CDO has learned how to accomplish this successfully with rapid turn-around times and minimal cost impact. The experience gained by accommodating customer requests has produced a textbook of cause and effect combinations of laser components to accomplish almost any parameter change request. Understanding the relationships between component combinations provides valuable insight into lasing effects allowing designers to extend laser performance beyond what is currently available. This has led to several break through products, i.e. >150W average power 355 nm, >60W average power 6 ps 1064 nm, pulse lengths longer than 400 ns at 532 nm with average power >100W, >400W 532 nm with pulse lengths in the 100 ns range.

  4. Proceedings of the solid state physics symposium. Vol. 34C

    International Nuclear Information System (INIS)

    1991-12-01

    This volume contains the proceedings of the Solid State Physics Symposium held at Varanasi during December 21 to 24, 1991. The topics discussed in the symposium were : (a) Phonon physics, (b) Electron states and electronic properties, (c) Magnetism and magnetic properties, (d) Semiconductor physics, (e) Physics of defects and disordered materials, (f) Transport properties, (g) Superconductivity and superfluidity, (h) Liquid crystals and plastic crystals, (i) Phase transitions and critical phenomena, (j) Surface and interface physics, (k) Non-linear dynamics, instabilities and chaos, (l) Resonance studies and relaxation phenomena, (m) Solid state devices, techniques and instrumentation. Three seminars on topics : (i) High T c superconductors, (ii) Soft matter, and (iii) Physics and technology of interfaces were also held during the symposium. (M.K.V.N.)

  5. Advanced Solid State Lighting for AES Deep Space Hab

    Data.gov (United States)

    National Aeronautics and Space Administration — The advanced Solid State Lighting (SSL) assemblies augmented 2nd generation modules under development for the Advanced Exploration Systems Deep Space Habitat in...

  6. 13C solid state NMR investigation of natural resins components

    International Nuclear Information System (INIS)

    Tavares, Maria I.B.; Bathista, Andre L.B.S.; Silva, Emerson O.; Priante Filho, Nicolau; Nogueira, Jose S.

    2001-01-01

    The objective of this work is to establish and analytical methodology as a routine using solid state nuclear magnetic resonance (NMR) techniques to investigate the mainly chemical components presented in natural resins in bulk. And also to evaluate the molecular behaviour of these resins. The routine solid state techniques allow us to assign the main compounds presented in the resins. Therefore, applying specialised techniques, like variable contact time, delayed contact time, dephasing time and proton spin lattice relaxation time in the rotating frame (T 1 H ρ), more information about chemical structure and molecular dynamic is available

  7. 100 years of solid state dosimetry and radiation protection dosimetry

    International Nuclear Information System (INIS)

    Bartlett, David T.

    2008-01-01

    The use of solid state detectors in radiation dosimetry has passed its 100th anniversary. The major applications of these detectors in radiation dosimetry have been in personal dosimetry, retrospective dosimetry, dating, medical dosimetry, the characterization of radiation fields, and also in microdosimetry and radiobiology research. In this introductory paper for the 15th International Conference, I shall speak of the history of solid state dosimetry and of the radiation measurement quantities that developed at the same time, mention some landmark developments in detectors and applications, speak a bit more about dosimetry and measurement quantities, and briefly look at the past and future

  8. Solid-state fermentation : modelling fungal growth and activity

    NARCIS (Netherlands)

    Smits, J.P.

    1998-01-01

    In solid-state fermentation (SSF) research, it is not possible to separate biomass quantitatively from the substrate. The evolution of biomass dry weight in time can therefore not be measured. Of the aiternatives to dry weight available, glucosamine content is most

  9. Fabrication of All-Solid-State Lithium-Ion Cells Using Three-Dimensionally Structured Solid Electrolyte Li7La3Zr2O12 Pellets

    International Nuclear Information System (INIS)

    Shoji, Mao; Munakata, Hirokazu; Kanamura, Kiyoshi

    2016-01-01

    All-solid-state lithium-ion batteries using Li + -ion conducting ceramic electrolytes have been focused on as attractive future batteries for electric vehicles and renewable energy conversion systems because high safety can be realized due to non-flammability of ceramic electrolytes. In addition, a higher volumetric energy density than that of current lithium-ion batteries is expected since the all-solid-state lithium-ion batteries can be made in bipolar cell configurations. However, the special ideas and techniques based on ceramic processing are required to construct the electrochemical interface for all-solid-state lithium-ion batteries since the battery development has been done so far based on liquid electrolyte system over 100 years. As one of the promising approaches to develop practical all-solid-state batteries, we have been focusing on three-dimensionally (3D) structured cell configurations such as an interdigitated combination of 3D pillars of cathode and anode, which can be realized by using solid electrolyte membranes with hole-array structures. The application of such kinds of 3D structures effectively increases the interface between solid electrode and solid electrolyte per unit volume, lowering the internal resistance of all-solid-state lithium-ion batteries. In this study, Li 6.25 Al 0.25 La 3 Zr 2 O 12 (LLZAl), which is a Al-doped Li 7 La 3 Zr 2 O 12 (LLZ) with Li + -ion conductivity of ~10 –4 S ⋅cm −1 at room temperature and high stability against lithium-metal, was used as a solid electrolyte, and its pellets with 700 μm depth holes in 700 μm × 700 μm area were fabricated to construct 3D-structured all-solid-state batteries with LiCoO 2 /LLZAl/lithium-metal configuration. It is expected that the LiCoO 2 –LLZAl interface is formed by point-to-point contact even when the LLZAl pellet with 3D hole-array structure is applied. Therefore, Li 3 BO 3 , which is a mechanically soft solid electrolyte with a low melting point at around 700

  10. Supramolecular interactions in the solid state

    Directory of Open Access Journals (Sweden)

    Giuseppe Resnati

    2015-11-01

    Full Text Available In the last few decades, supramolecular chemistry has been at the forefront of chemical research, with the aim of understanding chemistry beyond the covalent bond. Since the long-range periodicity in crystals is a product of the directionally specific short-range intermolecular interactions that are responsible for molecular assembly, analysis of crystalline solids provides a primary means to investigate intermolecular interactions and recognition phenomena. This article discusses some areas of contemporary research involving supramolecular interactions in the solid state. The topics covered are: (1 an overview and historical review of halogen bonding; (2 exploring non-ambient conditions to investigate intermolecular interactions in crystals; (3 the role of intermolecular interactions in morphotropy, being the link between isostructurality and polymorphism; (4 strategic realisation of kinetic coordination polymers by exploiting multi-interactive linker molecules. The discussion touches upon many of the prerequisites for controlled preparation and characterization of crystalline materials.

  11. Introduction to solid state physics and crystalline nanostructures

    CERN Document Server

    Iadonisi, Giuseppe; Chiofalo, Maria Luisa

    2014-01-01

    This textbook provides conceptual, procedural, and factual knowledge on solid state and nanostructure physics. It is designed to acquaint readers with key concepts and their connections, to stimulate intuition and curiosity, and to enable the acquisition of competences in general strategies and specific procedures for problem solving and their use in specific applications. To these ends, a multidisciplinary approach is adopted, integrating physics, chemistry, and engineering and reflecting how these disciplines are converging towards common tools and languages in the field. Each chapter discusses essential ideas before the introduction of formalisms and the stepwise addition of complications. Questions on everyday manifestations of the concepts are included, with reasoned linking of ideas from different chapters and sections and further detail in the appendices. The final section of each chapter describes experimental methods and strategies that can be used to probe the phenomena under discussion. Solid state...

  12. Coulomb states in atoms and solids

    International Nuclear Information System (INIS)

    Ortalano, D.M.

    1988-05-01

    In this dissertation, an empirical quantum defect approach to describe the valence excitons of the rare gas solids is developed. These Coulomb states are of s-symmetry and form a hydrogen-like series which converges to the bottom of the lowest conduction band. A non-zero quantum defect is found for all of the excitons of neon, argon and xenon. For these systems, then, there exists, in addition to the screened Coulombic component, a non-Coulombic component to the total exciton binding energy. The Wannier formalism is, therefore, inappropriate for the excitons of Ne, Ar and Xe. From the sign of the quantum defect, the non-Coulombic potential is repulsive for Ne and Ar, attractive for Xe, and nearly zero for Kr. This is opposite to that for the Rydberg states of the corresponding rare gas atoms, where the non-Coulombic potential between the electron and the cation is attractive for all of the atoms. The excitons then, are not simply perturbed Rydberg states of the corresponding rare gas atoms (i.e., the excitons do not possess atomic parentage). Interatomic term value/band gap energy correlations and reduced term value/reduced band gap correlations were performed. These correlations were exploited to provide further evidence against both the Wannier formalism and the atomic parentage view point. From these correlations, it was also discovered that the non-Coulombic potential varies smoothly across the valence isoelectronic series of solids, and that it becomes more attractive (or less repulsive) in going from neon to xenon. In order to address the atomic parentage controversy, it was necessary to compare the excitons to the low-n Rydberg states of the rare gas atoms. A review of the quantum defect description of the atomic Rydberg states is, therefore, presented. Also, Rydberg term value/ionization energy correlations are discussed and compared with the analogous exciton correlations. 7 refs., 10 figs., 5 tabs

  13. Fast-neutron solid-state dosimeter

    International Nuclear Information System (INIS)

    Kecker, K.H.; Haywood, F.F.; Perdue, P.T.; Thorngate, J.H.

    1975-01-01

    This patent relates to an improved fast-neutron solid-state dosimeter that does not require separation of materials before it can be read out, that utilizes materials that do not melt or otherwise degrade at about 300 0 C readout temperature, that provides a more efficient dosimeter, and that can be reused. The dosimeters are fabricated by intimately mixing a TL material, such as CaSO 4 :Dy, with a powdered polyphenyl, such as p-sexiphenyl, and hot-pressing the mixture to form pellets, followed by out-gassing in a vacuum furnace at 150 0 C prior to first use dosimeters

  14. Structural investigation of e-beam cured epoxy resins through solid state NMR

    International Nuclear Information System (INIS)

    Alessi, Sabina; Spinella, Alberto; Caponetti, Eugenio; Dispenza, Clelia; Spadaro, Giuseppe

    2012-01-01

    In this paper the network structure of e-beam cured DGEBF based epoxy resins is investigated. Two epoxy systems, having different reactivity and cured in different process conditions, were analyzed through solid state NMR spectroscopy. The analysis shows that the more reactive system has higher cross-linking density and higher uniformity of network distribution. Similar information were obtained, in a previous work, on the same systems through dynamic mechanical thermal analysis. It is worth noting that unlike DMTA tests, which interfere with the molecular structure of the analyzed material, due to the heating during the analysis itself, more reliable information, without any artefact, are obtained by solid state NMR, carried out at constant room temperature. - Highlights: ► The structure of two e-beam cured epoxy systems is investigated through solid state NMR. ► The aim is to have direct information about the structure without inducing modifications. ► The different molecular structures are able to emphasize the response of solid state NMR. ► T 1 H, T 1ρ H and T CH measurements indicate different cross-linking degrees. ► The NMR results are in agreement with DMTA analysis performed in a previous paper.

  15. Polyol accumulation by Aspergillus oryzae at low water activity in solid-state fermentation

    NARCIS (Netherlands)

    Ruijter, G.J.G.; Visser, J.; Rinzema, A.

    2004-01-01

    Polyol accumulation and metabolism were examined in Aspergillus oryzae cultured on whole wheat grains or on wheat dough as a model for solid-state culture. In solid-state fermentation (SSF), water activity (a(w)) is typically low resulting in osmotic stress. In addition to a high level of mannitol,

  16. 2006 Fundamental Research Underlying Solid-State Lighting: Contractors Meeting

    Energy Technology Data Exchange (ETDEWEB)

    Fitzsimmons, Tim [Dept. of Energy (DOE), Washington, DC (United States). Office of Basic Energy Sciences. Division of Materials Sciences and Engineering; Kini, Arvind [Dept. of Energy (DOE), Washington, DC (United States). Office of Basic Energy Sciences. Division of Materials Sciences and Engineering; Kelley, Dick [Dept. of Energy (DOE), Washington, DC (United States). Office of Basic Energy Sciences. Division of Materials Sciences and Engineering

    2006-02-01

    This volume highlights the scientific content of the 2006 Fundamental Research Underlying Solid-State Lighting Contractors Meeting sponsored by the Division of Materials Sciences and Engineering (DMS&E) in the Office of Basic Energy Sciences (BES) of the U. S. Department of Energy (DOE). This meeting is the second in a series of research theme-based Contractors Meetings and will focus on BES/DMS&E-funded research that underpins solid-state lighting technology. The meeting will feature research that cuts across several DMS&E core research program areas. The major programmatic emphasis is on developing a fundamental scientific base, in terms of new concepts and new materials that could be used or mimicked in designing novel materials, processes or devices.

  17. Conductors, semiconductors, superconductors an introduction to solid state physics

    CERN Document Server

    Huebener, Rudolf P

    2016-01-01

    This undergraduate textbook provides an introduction to the fundamentals of solid state physics, including a description of the key people in the field and the historic context. The book concentrates on the electric and magnetic properties of materials. It is written for students up to the bachelor level in the fields of physics, materials science, and electric engineering. Because of its vivid explanations and its didactic approach, it can also serve as a motivating pre-stage and supporting companion in the study of the established and more detailed textbooks of solid state physics. The textbook is suitable for a quick repetition prior to examinations. This second edition is extended considerably by detailed mathematical treatments in many chapters, as well as extensive coverage of magnetic impurities.

  18. Tautomeric equilibrium of creatinine and creatininium cation in aqueous solutions explored by Raman spectroscopy and density functional theory calculations

    International Nuclear Information System (INIS)

    Gao, Jiao; Hu, Yongjun; Li, Shaoxin; Zhang, Yanjiao; Chen, Xue

    2013-01-01

    Highlights: ► The tautomeric equlibrium and behavior of creatinine in aqueous solutions have been firstly studied by means of Raman spectroscopy and theoretical calculations (DFT). ► As 7 water molecules are gradually aggregated around the creatinine, theoretical results show an excellent accordance with the experimental spectrum. ► Analysis of molecular electrostatic potential (MEP) for creatinine (two tautomers and one protonated form) could explain why typical experimental Raman spectra with different pH values have obvious discrepancies at the electrical level. -- Abstract: The Raman spectral studies of creatinine with pH dependence were performed to explore the effects of pH values on the Raman spectroscopy of creatinine. Firstly, we calculated vibrational spectra by DFT to derive the equilibrium geometries and protonated form of creatinine. Comparing simulated and observed Raman spectra of creatinine in aqueous solution at pH 2, it is found the theoretical predicted spectra agree well with those of the experiment while seven water molecules are aggregated around the creatinine. Additionally, the tautomeric equilibrium of creatinine in aqueous solutions was studied and two tautomers are found to coexist by comparing its experimental and calculated Raman spectra. A water dimer being used to solvate creatinine would make the thermodynamic energy favor convert from the imino tautomer to the amino tautomer. Besides, the molecular electrostatic potential (MEP) analysis of the creatinine further confirms their discrepancies of typical experimental Raman spectra at different pH values.

  19. Development of Sulfide Solid Electrolytes and Interface Formation Processes for Bulk-Type All-Solid-State Li and Na Batteries

    Energy Technology Data Exchange (ETDEWEB)

    Hayashi, Akitoshi, E-mail: hayashi@chem.osakafu-u.ac.jp [Department of Applied Chemistry, Graduate School of Engineering, Osaka Prefecture University, Sakai, Osaka (Japan); Sakuda, Atsushi [Department of Applied Chemistry, Graduate School of Engineering, Osaka Prefecture University, Sakai, Osaka (Japan); Department of Energy and Environment, Research Institute of Electrochemical Energy, National Institute of Advanced Industrial Science and Technology (AIST), Ikeda, Osaka (Japan); Tatsumisago, Masahiro [Department of Applied Chemistry, Graduate School of Engineering, Osaka Prefecture University, Sakai, Osaka (Japan)

    2016-07-15

    All-solid-state batteries with inorganic solid electrolytes (SEs) are recognized as an ultimate goal of rechargeable batteries because of their high safety, versatile geometry, and good cycle life. Compared with thin-film batteries, increasing the reversible capacity of bulk-type all-solid-state batteries using electrode active material particles is difficult because contact areas at solid–solid interfaces between the electrode and electrolyte particles are limited. Sulfide SEs have several advantages of high conductivity, wide electrochemical window, and appropriate mechanical properties, such as formability, processability, and elastic modulus. Sulfide electrolyte with Li{sub 7}P{sub 3}S{sub 11} crystal has a high Li{sup +} ion conductivity of 1.7 × 10{sup −2} S cm{sup −1} at 25°C. It is far beyond the Li{sup +} ion conductivity of conventional organic liquid electrolytes. The Na{sup +} ion conductivity of 7.4 × 10{sup −4} S cm{sup −1} is achieved for Na{sub 3.06}P{sub 0.94}Si{sub 0.06}S{sub 4} with cubic structure. Moreover, formation of favorable solid–solid interfaces between electrode and electrolyte is important for realizing solid-state batteries. Sulfide electrolytes have better formability than oxide electrolytes. Consequently, a dense electrolyte separator and closely attached interfaces with active material particles are achieved via “room-temperature sintering” of sulfides merely by cold pressing without heat treatment. Elastic moduli for sulfide electrolytes are smaller than that of oxide electrolytes, and Na{sub 2}S–P{sub 2}S{sub 5} glass electrolytes have smaller Young’s modulus than Li{sub 2}S–P{sub 2}S{sub 5} electrolytes. Cross-sectional SEM observations for a positive electrode layer reveal that sulfide electrolyte coating on active material particles increases interface areas even with a minimum volume of electrolyte, indicating that the energy density of bulk-type solid-state batteries is enhanced. Both surface coating

  20. Topotactic Solid-State Metal Hydride Reductions of Sr2MnO4.

    Science.gov (United States)

    Hernden, Bradley C; Lussier, Joey A; Bieringer, Mario

    2015-05-04

    We report novel details regarding the reactivity and mechanism of the solid-state topotactic reduction of Sr2MnO4 using a series of solid-state metal hydrides. Comprehensive details describing the active reducing species are reported and comments on the reductive mechanism are provided, where it is shown that more than one electron is being donated by H(-). Commonly used solid-state hydrides LiH, NaH, and CaH2, were characterized in terms of reducing power. In addition the unexplored solid-state hydrides MgH2, SrH2, and BaH2 are evaluated as potential solid-state reductants and characterized in terms of their reductive reactivities. These 6 group I and II metal hydrides show the following trend in terms of reactivity: MgH2 < SrH2 < LiH ≈ CaH2 ≈ BaH2 < NaH. The order of the reductants are discussed in terms of metal electronegativity and bond strengths. NaH and the novel use of SrH2 allowed for targeted synthesis of reduced Sr2MnO(4-x) (0 ≤ x ≤ 0.37) phases. The enhanced control during synthesis demonstrated by this soft chemistry approach has allowed for a more comprehensive and systematic evaluation of Sr2MnO(4-x) phases than previously reported phases prepared by high temperature methods. Sr2MnO3.63(1) has for the first time been shown to be monoclinic by powder X-ray diffraction and the oxidative monoclinic to tetragonal transition occurs at 450 °C.

  1. Solid State NMR Characterization of Complex Metal Hydrides systems for Hydrogen Storage Applications

    Directory of Open Access Journals (Sweden)

    Son-Jong Hwang

    2011-12-01

    Full Text Available Solid state NMR is widely applied in studies of solid state chemistries for hydrogen storage reactions. Use of 11B MAS NMR in studies of metal borohydrides (BH4 is mainly focused, revisiting the issue of dodecaborane formation and observation of 11B{1H} Nuclear Overhauser Effect.

  2. Pressure Effects on Solid State Phase Transformation of Aluminium Bronze in Cooling Process

    International Nuclear Information System (INIS)

    Hai-Yan, Wang; Jian-Hua, Liu; Gui-Rong, Peng; Yan, Chen; Yu-Wen, Liu; Fei, Li; Wen-Kui, Wang

    2009-01-01

    Effects of high pressure (6 GPa) on the solid state phase transformation kinetic parameters of aluminum bronze during the cooling process are investigated, based on the measurement and calculation of its solid state phase transformation temperature, duration and activation energy and the observation of its microstructures. The results show that high pressure treatment can reduce the solid phase transformation temperature and activation energy in the cooling process and can shorten the phase transformation duration, which is favorable when forming fine-grained aluminum bronze

  3. An overview of Engineering Aspects of Solid State Fermentation

    Directory of Open Access Journals (Sweden)

    Prabhakar, A.

    2005-01-01

    Full Text Available Solid substrate cultivation (SSC or solid state fermentation (SSF is envisioned as a prominent bio conversion technique to transform natural raw materials into a wide variety of chemical as well as bio-chemical products. This process involves the fermentation of solid substrate medium with microorganism in the absence of free flowing water. Recent developments and concerted focus on SSF enabled it to evolve as a potential bio- technology as an alternative to thetraditional chemical synthesis. SSF is being successfully exploited for food production, fuels, enzymes, antibiotics, animal feeds and also for dye degradation. This paper discusses the various micro and macro level engineering problems associated with SSF and some possible solutions for its full commercial realization.

  4. Supercritical fluid chromatography for separation and preparation of tautomeric 7-epimeric spiro oxindole alkaloids from Uncaria macrophylla.

    Science.gov (United States)

    Yang, Wenzhi; Zhang, Yibei; Pan, Huiqin; Yao, Changliang; Hou, Jinjun; Yao, Shuai; Cai, Luying; Feng, Ruihong; Wu, Wanying; Guo, Dean

    2017-02-05

    Increasing challenge arising from configurational interconversion in aqueous solvent renders it rather difficult to isolate high-purity tautomeric reference standards and thus largely hinders the holistic quality control of traditional Chinese medicine (TCM). Spiro oxindole alkaloids (SOAs), as the markers for the medicinal Uncaria herbs, can easily isomerize in polar or aqueous solvent via a retro-Mannich reaction. In the present study, supercritical fluid chromatography (SFC) is utilized to separate and isolate two pairs of 7-epimeric SOAs, including rhynchophylline (R) and isorhynchophylline (IR), corynoxine (C) and corynoxine B (CB), from Uncaria macrophylla. Initially, the solvent that can stabilize SOA epimers was systematically screened, and acetonitrile was used to dissolve and as the modifier in SFC. Then, key parameters of ultra-high performance SFC (ultra-performance convergence chromatography, UPC 2 ), comprising stationary phase, additive in modifier, column temperature, ABPR pressure, and flow rate, were optimized in sequence. Two isocratic UPC 2 methods were developed on the achiral Torus 1-AA and Torus Diol columns, suitable for UV and MS detection, respectively. MCI gel column chromatography fractionated the U. macrophylla extract into two mixtures (R/IR and C/CB). Preparative SFC, using a Viridis Prep Silica 2-EP OBD column and acetonitrile-0.2% diethylamine in CO 2 as the mobile phase, was finally employed for compound purification. As a result, the purity of four SOA compounds was all higher than 95%. Different from reversed-phase HPLC, SFC, by use of water-free mobile phase (inert CO 2 and aprotic modifier), provides a solution to rapid analysis and isolation of tautomeric reference standards for quality control of TCM. Copyright © 2016 Elsevier B.V. All rights reserved.

  5. Plasma-assisted ALD of LiPO(N) for solid state batteries

    NARCIS (Netherlands)

    Put, B.; Mees, M.J.; Hornsveld, N.; Sepúlveda, A.; Vereecken, P.M.; Kessels, W.M.M.; Creatore, M.

    2016-01-01

    All solid state 3D batteries are pursued for their increased safety and high power capabilities. At present conformai coating of the solid electrolyte remains one of the key hurdles for the implementation of such devices. In the present work we investigate atomic layer deposition (ALD) as means of

  6. Solid State Division progress report for period ending March 31, 1992

    International Nuclear Information System (INIS)

    Green, P.H.; Hinton, L.W.

    1992-09-01

    During this period, the division conducted a broad, interdisciplinary materials research program with emphasis on theoretical solid state physics, superconductivity, neutron scattering, synthesis and characterization of materials, ion beam and laser processing, and the structure of solids and surfaces. The High Flux Isotope Reactor was returned to full operation

  7. Solid State Division progress report for period ending March 31, 1992

    Energy Technology Data Exchange (ETDEWEB)

    Green, P.H.; Hinton, L.W. (eds.)

    1992-09-01

    During this period, the division conducted a broad, interdisciplinary materials research program with emphasis on theoretical solid state physics, superconductivity, neutron scattering, synthesis and characterization of materials, ion beam and laser processing, and the structure of solids and surfaces. The High Flux Isotope Reactor was returned to full operation.

  8. Solid-state NMR on complex biomolecules: novel methods and applications

    NARCIS (Netherlands)

    Nand, D.

    2011-01-01

    Solid-state NMR (ssNMR) represents a versatile technique in providing atomic-resolution information without the need for crystals or fast molecular motion required for X-ray crystallography and solution-state NMR, respectively. Recent past has witnessed the ability of this technique in providing

  9. Advanced Solid-state Lasers - to Ignition and Beyond

    International Nuclear Information System (INIS)

    Marshall, C.; Bibeau, C.; Orth, C; Meier, W.R.; Payne, S.; Sutton, S.

    1998-01-01

    This brochure concentrates on the diode-pumped solid-state laser. Surrounding it on the cover are some of the primary technological developments that make it a candidate for the means by which inertial confinement fusion will create inertial fusion energy as an inexhaustible source of electric power

  10. Chinese vinegar and its solid-state fermentation process

    NARCIS (Netherlands)

    Liu Dengru,; Yang Zhu, Yang; Beeftink, H.H.; Ooijkaas, L.P.; Rinzema, A.; Jian Chen,; Tramper, J.

    2004-01-01

    China uses solid-state fermentation (SSF) processes on a large scale for products such as vinegar, Chinese distilled spirit, soy sauce, Furu, and other national foods that are consumed around the world. In this article, the typical SSF process is discussed, with a focus on Chinese vinegars,

  11. The effect of interfaces on solid-state reactions between oxides

    International Nuclear Information System (INIS)

    Johnson, M.T.; Carter, C.B.

    1998-01-01

    A thin-film geometry has been used to study fundamental solid-state reaction processes occurring at interfaces in two spinel-forming oxide systems. In the first system, NiO/Al 2 O 3 , epitactic NiO films were deposited on various orientations of single-crystal α-Al 2 O 3 . In this case, the reaction kinetics were studied and correlated with the interfacial structure (or substrate orientation). In the second, In 2 O 3 /MgO, solid-state reactions were studied under the influence of an electric field. The electric field provides a driving force for mass transport that affects both the reaction process and the morphological stability of an interface

  12. Solid state physics and physicists of the post war Latvia

    International Nuclear Information System (INIS)

    Zakis, J.

    2003-01-01

    In Latvia during the so-called post war period (1944-1991) fields that promoted the research activities were nuclear research and semiconductor electronics. Being considered as classified the researches in these fields were separated from the universities and transferred to the institutes of recently founded Latvian Academy of Sciences. The institutes related to the so-called sector management ministries performed the most of research in semiconductor physics. Research activities at the University of Latvia were mainly in the basic solid state physics (ionic crystals, Ferro ceramics). Despite of being controlled research activities in solid-state physics in Latvia were on relatively high level recognized both nationally and internationally

  13. Emerging solid-state laser technology by lidar/DIAL remote sensing

    Science.gov (United States)

    Killinger, Dennis

    1992-01-01

    Significant progress has been made in recent years in the development of new, solid-state laser sources. This talk will present an overview of some of the new developments in solid-state lasers, and their application toward lidar/DIAL measurements of the atmosphere. Newly emerging lasers such as Ho:YAG, Tm:YAG, OPO, and Ti:Sapphire will be covered, along with the spectroscopic parameters required for differential operational modes of atmospheric remote sensing including Doppler-Windshear lidar, Tunable laser detection of water/CO2, and broad linewidth OPO's for open path detection of pollutant hydrocarbon gases. Additional considerations of emerging laser technology for lidar/DIAL will also be covered.

  14. Solid-state tap-changer of transformers: Design, control and implementation

    Energy Technology Data Exchange (ETDEWEB)

    Faiz, Jawad; Siahkolah, Behzad [Center of Excellence on Applied Electromagnetic Systems, School of Electrical and Computer Engineering, University of Tehran, Tehran 1439957131 (Iran, Islamic Republic of)

    2011-02-15

    This paper presents the implementation of a prototype electronic tap-changer of transformer. Mechanical tap-changer has many problems such as low operating speed, short lifetime and heavy size. In order to solve these problems a fully solid-state tap-changer with a new control strategy and optimal configuration is proposed. The design of tap-changer is discussed and bi-directional solid-state power electronics switches are implemented. Following the realization of the tap-changer controller, developed software for such precise control is introduced. To verify the design procedure and optimal configuration and apply the developed software, a prototype low-power tap-changer has been built and tested. (author)

  15. Templated Solid-State Dewetting of Thin Silicon Films.

    Science.gov (United States)

    Naffouti, Meher; David, Thomas; Benkouider, Abdelmalek; Favre, Luc; Delobbe, Anne; Ronda, Antoine; Berbezier, Isabelle; Abbarchi, Marco

    2016-11-01

    Thin film dewetting can be efficiently exploited for the implementation of functionalized surfaces over very large scales. Although the formation of sub-micrometer sized crystals via solid-state dewetting represents a viable method for the fabrication of quantum dots and optical meta-surfaces, there are several limitations related to the intrinsic features of dewetting in a crystalline medium. Disordered spatial organization, size, and shape fluctuations are relevant issues not properly addressed so far. This study reports on the deterministic nucleation and precise positioning of Si- and SiGe-based nanocrystals by templated solid-state dewetting of thin silicon films. The dewetting dynamics is guided by pattern size and shape taking full control over number, size, shape, and relative position of the particles (islands dimensions and relative distances are in the hundreds nm range and fluctuate ≈11% for the volumes and ≈5% for the positioning). © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Long-lived and largely red-shifted photoluminescence of solid-state rhodamine dyes: Molecular exciton coupling and structural effect

    International Nuclear Information System (INIS)

    Zhang, Xian-Fu; Zhang, Ya-Kui

    2015-01-01

    The optical absorption and fluorescence properties of five rhodamine dyes in solid-state are measured and show large difference from that in their gas phase or liquid solvents. All solid-state rhodamine dyes strongly absorb all light in UV and visible region, but emit only red and NIR fluorescence (680–800 nm, >100 nm red-shifted from that in solution). Further more, the absorption maxima of a solid-state rhodamine show a large red-shifted band (~100 nm) and blue-shifted peak (~125 nm) compared to that in solutions, indicating a strong molecular exciton coupling between molecules. All solid-state rhodamines still show reasonably good fluorescence quantum yield (Φ f ). In particular, solid-state Rhodamine B butyl ester and sulfonyl Rhodamine B showed a much longer emission lifetime (τ f ) than that of the corresponding molecular rhodamine, i.e. 4.12 and 4.14 ns in solid state compared to 1.61 and 2.47 ns in solution. The chemical structure of a rhodamine molecule showed dramatic effect on Φ f and τ f values for solid state rhodamine. The larger substituent in the benzene moiety favors higher Φ f and τ f values of rhodamine solids. These effects can be elucidated by the relation between structure-molecular distance and molecular exciton couplings. - Highlights: • Optical properties of solid rhodamines show large difference from that in solutions. • Solid-state rhodamine dyes emit red and NIR fluorescence (680–800 nm). • Solid-state rhodamines still show reasonably good fluorescence quantum yield. • Solid-state rhodamines have much longer fluorescence lifetimes than that in solutions

  17. Long-lived and largely red-shifted photoluminescence of solid-state rhodamine dyes: Molecular exciton coupling and structural effect

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Xian-Fu, E-mail: zhangxianfu@tsinghua.org.cn [Institute of Applied Photochemistry & Center of Analysis and Measurements, Hebei Normal University of Science and Technology, Qinhuangdao 066004, Hebei Province (China); MPC Technologies, Hamilton, ON, Canada L8S 3H4 (Canada); Zhang, Ya-Kui [Institute of Applied Photochemistry & Center of Analysis and Measurements, Hebei Normal University of Science and Technology, Qinhuangdao 066004, Hebei Province (China)

    2015-10-15

    The optical absorption and fluorescence properties of five rhodamine dyes in solid-state are measured and show large difference from that in their gas phase or liquid solvents. All solid-state rhodamine dyes strongly absorb all light in UV and visible region, but emit only red and NIR fluorescence (680–800 nm, >100 nm red-shifted from that in solution). Further more, the absorption maxima of a solid-state rhodamine show a large red-shifted band (~100 nm) and blue-shifted peak (~125 nm) compared to that in solutions, indicating a strong molecular exciton coupling between molecules. All solid-state rhodamines still show reasonably good fluorescence quantum yield (Φ{sub f}). In particular, solid-state Rhodamine B butyl ester and sulfonyl Rhodamine B showed a much longer emission lifetime (τ{sub f}) than that of the corresponding molecular rhodamine, i.e. 4.12 and 4.14 ns in solid state compared to 1.61 and 2.47 ns in solution. The chemical structure of a rhodamine molecule showed dramatic effect on Φ{sub f} and τ{sub f} values for solid state rhodamine. The larger substituent in the benzene moiety favors higher Φ{sub f} and τ{sub f} values of rhodamine solids. These effects can be elucidated by the relation between structure-molecular distance and molecular exciton couplings. - Highlights: • Optical properties of solid rhodamines show large difference from that in solutions. • Solid-state rhodamine dyes emit red and NIR fluorescence (680–800 nm). • Solid-state rhodamines still show reasonably good fluorescence quantum yield. • Solid-state rhodamines have much longer fluorescence lifetimes than that in solutions.

  18. Structural diversity of solid dispersions of acetylsalicylic acid as seen by solid-state NMR.

    Science.gov (United States)

    Policianova, Olivia; Brus, Jiri; Hruby, Martin; Urbanova, Martina; Zhigunov, Alexander; Kredatusova, Jana; Kobera, Libor

    2014-02-03

    Solid dispersions of active pharmaceutical ingredients are of increasing interest due to their versatile use. In the present study polyvinylpyrrolidone (PVP), poly[N-(2-hydroxypropyl)-metacrylamide] (pHPMA), poly(2-ethyl-2-oxazoline) (PEOx), and polyethylene glycol (PEG), each in three Mw, were used to demonstrate structural diversity of solid dispersions. Acetylsalicylic acid (ASA) was used as a model drug. Four distinct types of the solid dispersions of ASA were created using a freeze-drying method: (i) crystalline solid dispersions containing nanocrystalline ASA in a crystalline PEG matrix; (ii) amorphous glass suspensions with large ASA crystallites embedded in amorphous pHPMA; (iii) solid solutions with molecularly dispersed ASA in rigid amorphous PVP; and (iv) nanoheterogeneous solid solutions/suspensions containing nanosized ASA clusters dispersed in a semiflexible matrix of PEOx. The obtained structural data confirmed that the type of solid dispersion can be primarily controlled by the chemical constitutions of the applied polymers, while the molecular weight of the polymers had no detectable impact. The molecular structure of the prepared dispersions was characterized using solid-state NMR, wide-angle X-ray scattering (WAXS), and differential scanning calorimetry (DSC). By applying various (1)H-(13)C and (1)H-(1)H correlation experiments combined with T1((1)H) and T1ρ((1)H) relaxation data, the extent of the molecular mixing was determined over a wide range of distances, from intimate intermolecular contacts (0.1-0.5 nm) up to the phase-separated nanodomains reaching ca. 500 nm. Hydrogen-bond interactions between ASA and polymers were probed by the analysis of (13)C and (15)N CP/MAS NMR spectra combined with the measurements of (1)H-(15)N dipolar profiles. Overall potentialities and limitations of individual experimental techniques were thoroughly evaluated.

  19. Solid Waste Management Practices of Select State Universities in CALABARZON, Philippines

    Directory of Open Access Journals (Sweden)

    Amado C. Gequinto

    2017-02-01

    Full Text Available The enactment of the Ecological Solid Waste Management Act prompted higher education institutions including state universities and colleges (SUCs to incorporate ecological waste management in the school system. Thus, this paper aimed to assess the extent of implementation of solid waste management practices in select SUCs in CALABARZON in terms of waste reuse, waste reduction, waste collection, waste recycling, waste treatment, and final waste disposal. Respondents of the study included university administrators, faculty members, non-teaching staff, students and concessionaries for a total of 341. A survey questionnaire was used to gather data from Batangas State University (BatState-U, Cavite State University (CavSU, Laguna State Polytechnic University (LSPU and Southern Luzon State University (SLSU. Result revealed that solid waste management practices are implemented to a great extent. Among the practices, waste collection got the highest composite mean particularly on the promotion of 3Rs (reduce, reuse, recycle in the collection of waste. On the other hand, waste recycling and waste treatment obtained the lowest composite mean. In terms of waste recycling, establishing partnership with local or private business for recyclable recovery program was to moderate extent. Waste treatment particularly neutralization of acid bases was also of moderate extent. The study recommended strengthening of publicprivate partnership (PPP on the recycling and treatment of wastes.

  20. Controlled phase gate for solid-state charge-qubit architectures

    International Nuclear Information System (INIS)

    Schirmer, S.G.; Oi, D.K.L.; Greentree, Andrew D.

    2005-01-01

    We describe a mechanism for realizing a controlled phase gate for solid-state charge qubits. By augmenting the positionally defined qubit with an auxiliary state, and changing the charge distribution in the three-dot system, we are able to effectively switch the Coulombic interaction, effecting an entangling gate. We consider two architectures, and numerically investigate their robustness to gate noise

  1. Drug-Excipient Interactions in the Solid State: The Role of Different Stress Factors.

    Science.gov (United States)

    Gressl, Corinna; Brunsteiner, Michael; Davis, Adrian; Landis, Margaret; Pencheva, Klimentina; Scrivens, Garry; Sluggett, Gregory W; Wood, Geoffrey P F; Gruber-Woelfler, Heidrun; Khinast, Johannes G; Paudel, Amrit

    2017-12-04

    Understanding properties and mechanisms that govern drug degradation in the solid state is of high importance to ensure drug stability and safety of solid dosage forms. In this study, we attempt to understand drug-excipient interactions in the solid state using both theoretical and experimental approaches. The model active pharmaceutical ingredients (APIs) under study are carvedilol (CAR) and codeine phosphate (COP), which are known to undergo esterification with citric acid (CA) in the solid state. Starting from the crystal structures of two different polymorphs of each compound, we calculated the exposure and accessibility of reactive hydroxyl groups for a number of relevant crystal surfaces, as well as descriptors that could be associated with surface stabilities using molecular simulations. Accelerated degradation experiments at elevated temperature and controlled humidity were conducted to assess the propensity of different solid forms of the model APIs to undergo chemical reactions with anhydrous CA or CA monohydrate. In addition, for CAR, we studied the solid state degradation at varying humidity levels and also under mechano-activation. Regarding the relative degradation propensities, we found that variations in the exposure and accessibility of molecules on the crystal surface play a minor role compared to the impact of molecular mobility due to different levels of moisture. We further studied drug-excipient interactions under mechano-activation (comilling of API and CA) and found that the reaction proceeded even faster than in physical powder mixtures kept at accelerated storage conditions.

  2. A Low Power, Solid State, Method of Oxygen Supply

    Data.gov (United States)

    National Aeronautics and Space Administration — The key innovation of the work prior to the start of this project is the planar monolith - allowing for solid state oxygen production at pressures up to 300 psig....

  3. Solid-state nanopores for probing DNA and protein

    NARCIS (Netherlands)

    Plesa, C.

    2015-01-01

    Solid-state nanopores are small nanometer-scale holes in thin membranes. When used to separate two chambers containing salt solution, any biomolecule passing from one chamber to the other is forced to pass through the pore constriction. An electric field applied across the membrane is used to create

  4. NiTi shape memory via solid-state nudge-elastic band

    Science.gov (United States)

    Zarkevich, Nikolai A.; Johnson, Duane D.

    2014-03-01

    We determine atomic mechanisms of the shape memory effect in NiTi from a generalized solid-state nudge elastic band (SSNEB) method. We consider transformation between the austenite B2 and the ground-state base-centered orthorhombic (BCO) structures. In these pathways we obtain the R-phase and discuss its structure. We confirm that BCO is the ground state, and determine the pathways to BCO martensite, which dictate transition barriers. While ideal B2 is unstable, we find a B2-like NiTi high-temperature solid phase with significant local displacement disorder, which is B2 on average. This B2-like phase appears to be entropically stabilized. This work is supported by the U.S. Department of Energy, Office of Basic Energy Science, Division of Materials Science and Engineering. Ames Laboratory is operated for the U.S. DOE by Iowa State University under contract DE-AC02-07CH11358.

  5. Replacing HDDs with Solid-State Flash Disks in PXIbus-Based Systems

    International Nuclear Information System (INIS)

    Zhao, Z W; Zeng, L

    2006-01-01

    New security features, constantly decreasing prices, solid-state Flash disks are becoming a popular alternative for replacing failure-prone mechanical Hard Disk Drives (HDDs) in PXIbus-based military systems. The key component in high-capacity solid-state Flash disks is NAND Flash, but with a specification that shows only 100,000-300,000 write/erase cycles, engineers may be concerned that the lifetime of Flash disks cannot meet their application requirements. With the right Flash management, Flash disks are able to provide the reliability and endurance that military applications need

  6. The solid state track detectors for α-particles angular distribution measurements

    International Nuclear Information System (INIS)

    Bakr, M.H.S.

    1978-01-01

    The solid state track detectors technique is described in details from the point of view of applying them in nuclear reactions research. Using an optimum developing solution, the etching rate of polycarbonate detector was found to be 10.5 μ/hour. The energy resolution of this detector was estimated using 241 Am α-source at α-energies between 1 and 3 Mev. The scattering chamber designed for angular distribution measurements using solid state track detectors is described. A special schematic normograph for range-energy-degrading foils relation is given

  7. EPR of gamma irradiated solid sucrose and UV spectra of its solution. An attempt for calibration of solid state/EPR dosimetry

    International Nuclear Information System (INIS)

    Yordanov, N.D.; Karakirova, Y.

    2007-01-01

    A simple new approach for independent calibration of solid state/EPR (SS/EPR) dosimetry system is reported. It is based on the fact that: (i) gamma-irradiation of solid sucrose (sugar) induces stable EPR detectable free radicals accompanied by UV detectable brown colour stable in the solid state and in solution; (ii) both the EPR intensity of gamma-irradiated solid sucrose and its solution UV absorbance linearly depend on the absorbed dose high energy radiation and may be independently used for dosimetric purpose; (iii) UV spectrometers are calibrated. The correlation between EPR response and absorbed dose radiation of solid sucrose and UV absorption of its solutions is used in the present communication for calibration purpose. The procedure of sucrose extraction from sucrose-paraffin dosimeters is described. The calibration procedure may be applied to any other (alanine, self-calibrated, etc.) SS/EPR dosimeters, simultaneously irradiated with sucrose

  8. Tunable solid-state laser technology for applications to scientific and technological experiments from space

    Science.gov (United States)

    Allario, F.; Taylor, L. V.

    1986-01-01

    Current plans for the Earth Observing System (EOS) include development of a lidar facility to conduct scientific experiments from a polar orbiting platforms. A recommended set of experiments were scoped, which includes techniques of atmospheric backscatter (Lidar), Differential Absorption Lidar (DIAL), altimetry, and retroranging. Preliminary assessments of the resources (power, weight, volume) required by the Eos Lidar Facility were conducted. A research program in tunable solid state laser technology was developed, which includes laser materials development, modeling and experiments on the physics of solid state laser materials, and development of solid state laser transmitters with a strong focus on Eos scientific investigations. Some of the system studies that were conducted which highlight the payoff of solid state laser technology for the Eos scientific investigations will be discussed. Additionally, a summary of some promising research results which have recently emerged from the research program will be presented.

  9. Zirconia-based solid state chemical gas sensors

    CERN Document Server

    Zhuiykov, S

    2000-01-01

    This paper presents an overview of chemical gas sensors, based on solid state technology, that are sensitive to environmental gases, such as O sub 2 , SO sub x , NO sub x , CO sub 2 and hydrocarbons. The paper is focussed on performance of electrochemical gas sensors that are based on zirconia as a solid electrolyte. The paper considers sensor structures and selection of electrode materials. Impact of interfaces on sensor performance is discussed. This paper also provides a brief overview of electrochemical properties of zirconia and their effect on sensor performance. Impact of auxiliary materials on sensors performance characteristics, such as sensitivity, selectivity, response time and recovery time, is also discussed. Dual gas sensors that can be applied for simultaneous monitoring of the concentration of both oxygen and other gas phase components, are briefly considered

  10. The solid state physics programme at ISOLDE: recent developments and perspectives

    Science.gov (United States)

    Johnston, Karl; Schell, Juliana; Correia, J. G.; Deicher, M.; Gunnlaugsson, H. P.; Fenta, A. S.; David-Bosne, E.; Costa, A. R. G.; Lupascu, Doru C.

    2017-10-01

    Solid state physics (SSP) research at ISOLDE has been running since the mid-1970s and accounts for about 10%-15% of the overall physics programme. ISOLDE is the world flagship for the on-line production of exotic radioactive isotopes, with high yields, high elemental selectivity and isotopic purity. Consequently, it hosts a panoply of state-of-the-art nuclear techniques which apply nuclear methods to research on life sciences, material science and bio-chemical physics. The ease of detecting radioactivity—scientists and specialists in nuclear solid state techniques. This article describes the current status of this programme along with recent illustrative results, predicting a bright future for these unique research methods and collaborations.

  11. Colour-rendition properties of solid-state lamps

    Energy Technology Data Exchange (ETDEWEB)

    Zukauskas, A [Institute of Applied Research, Vilnius University, Sauletekio al. 9, bldg. III, Vilnius, LT-10222 (Lithuania); Vaicekauskas, R [Department of Computer Science, Vilnius University, Naugarduko g. 24, Vilnius, LT-03225 (Lithuania); Shur, M S, E-mail: arturas.zukauskas@ff.vu.l [Department of Electrical, Computer, and System Engineering, Rensselaer Polytechnic Institute, 110 8th Street, Troy, NY 12180 (United States)

    2010-09-08

    The applicability of colour-quality metrics to solid-state light sources is validated and the results of the assessment of colour-rendition characteristics of various lamps are presented. The standard colour-rendering index metric or a refined colour-quality scale metric fails to distinguish between two principle colour-rendition properties of illumination: the ability to render object colours with high fidelity and the ability to increase chromatic contrast, especially when the spectra of light sources contain a few narrow-band electroluminescence components. Supplementing these metrics by the known figures of merit that measure the gamut area of a small number of test colour samples does not completely resolve this issue. In contrast, the statistical approach, which is based on sorting a very large number of test colour samples in respect of just-perceivable colour distortions of several kinds, offers a comprehensive assessment of colour-rendition properties of solid-state light sources. In particular, two statistical indices, colour-fidelity index (CFI) and colour-saturation index (CSI), which are the relative numbers of object colours rendered with high fidelity and increased saturation, respectively, are sufficient to reveal and assess three distinct types of solid-state light sources. These are (i) high-fidelity lamps, which cover the entire spectrum with the spectral components present in the wavelength ranges of both 530-610 nm and beyond 610 nm (e.g. trichromatic warm white phosphor-converted (pc) light-emitting diodes (LEDs), red-amber-green-blue LED clusters, complementary clusters of white and coloured LEDs); (ii) colour-saturating lamps, which lack power in the 530-610 nm wavelength range (e.g. red-green-blue or red-cyan-blue LED clusters) and (iii) colour-dulling lamps, which lack power for wavelengths longer than 610 nm (dichromatic daylight pc LEDs and amber-green-blue LED clusters). Owing to a single statistical format, CSI and CFI can be used for

  12. Colour-rendition properties of solid-state lamps

    International Nuclear Information System (INIS)

    Zukauskas, A; Vaicekauskas, R; Shur, M S

    2010-01-01

    The applicability of colour-quality metrics to solid-state light sources is validated and the results of the assessment of colour-rendition characteristics of various lamps are presented. The standard colour-rendering index metric or a refined colour-quality scale metric fails to distinguish between two principle colour-rendition properties of illumination: the ability to render object colours with high fidelity and the ability to increase chromatic contrast, especially when the spectra of light sources contain a few narrow-band electroluminescence components. Supplementing these metrics by the known figures of merit that measure the gamut area of a small number of test colour samples does not completely resolve this issue. In contrast, the statistical approach, which is based on sorting a very large number of test colour samples in respect of just-perceivable colour distortions of several kinds, offers a comprehensive assessment of colour-rendition properties of solid-state light sources. In particular, two statistical indices, colour-fidelity index (CFI) and colour-saturation index (CSI), which are the relative numbers of object colours rendered with high fidelity and increased saturation, respectively, are sufficient to reveal and assess three distinct types of solid-state light sources. These are (i) high-fidelity lamps, which cover the entire spectrum with the spectral components present in the wavelength ranges of both 530-610 nm and beyond 610 nm (e.g. trichromatic warm white phosphor-converted (pc) light-emitting diodes (LEDs), red-amber-green-blue LED clusters, complementary clusters of white and coloured LEDs); (ii) colour-saturating lamps, which lack power in the 530-610 nm wavelength range (e.g. red-green-blue or red-cyan-blue LED clusters) and (iii) colour-dulling lamps, which lack power for wavelengths longer than 610 nm (dichromatic daylight pc LEDs and amber-green-blue LED clusters). Owing to a single statistical format, CSI and CFI can be used for

  13. Solid State Inflation Balloon Active Deorbiter: Scalable Low-Cost Deorbit System for Small Satellites

    Science.gov (United States)

    Huang, Adam

    2016-01-01

    The goal of the Solid State Inflation Balloon Active Deorbiter project is to develop and demonstrate a scalable, simple, reliable, and low-cost active deorbiting system capable of controlling the downrange point of impact for the full-range of small satellites from 1 kg to 180 kg. The key enabling technology being developed is the Solid State Gas Generator (SSGG) chip, generating pure nitrogen gas from sodium azide (NaN3) micro-crystals. Coupled with a metalized nonelastic drag balloon, the complete Solid State Inflation Balloon (SSIB) system is capable of repeated inflation/deflation cycles. The SSGG minimizes size, weight, electrical power, and cost when compared to the current state of the art.

  14. Solution and solid-state electrochemiluminescence of a fac-tris(2-phenylpyridyl)iridium(III)-cored dendrimer

    International Nuclear Information System (INIS)

    Reid, Ellen F.; Burn, Paul L.; Lo, Shih-Chun; Hogan, Conor F.

    2013-01-01

    The solution phase and solid-state electrochemistry and electrochemiluminescence (ECL) of an iridium(III) complex-cored dendrimeric analogue of Ir(ppy) 3 , (G1pIr), are reported. The solid-state electrochemistry and solid-state ECL of Ir(ppy) 3 itself is also described for the first time. In solution phase, the dendrimer displays greater immunity to oxygen quenching in photoluminescence (PL) experiments and exhibits greater ECL efficiency compared to the parent Ir(ppy) 3 core under the same conditions, despite a lower photoluminescence quantum yield. It is proposed that the dendrons which effectively shield the core from PL quenching interactions in the solid-state counteract the effects of parasitic side-reactions during the solution ECL experiments. Electroactive and ECL-active solid-state films of both Ir(ppy) 3 and G1pIr were produced by drop-coating on boron doped diamond electrodes. Films of Ir(ppy) 3 produced stable co-reactant ECL. However, films of G1pIr produced lower than expected ECL intensity. This was attributed to poorer charge transport and the lipophilicity of the film limiting the rate of interaction with the co-reactant required for formation of the excited state

  15. Theoretical solid state physics, v.2

    CERN Document Server

    Haug, Albert

    2013-01-01

    Theoretical Solid State Physics, Volume 2 deals with the electron-lattice interaction and the effect of lattice imperfections. Conductivity, semiconductors, and luminescence are discussed, with emphasis on the basic physical problems and the various phenomena derived from them. The theoretical basis of interaction between electrons and lattices is considered, along with basic concepts of conduction theory, scattering of electrons by imperfections, and radiationless transitions. This volume is comprised of 19 chapters and begins with an overview of the coupling of electrons and the crystal latt

  16. Monolithic All-Phosphate Solid-State Lithium-Ion Battery with Improved Interfacial Compatibility.

    Science.gov (United States)

    Yu, Shicheng; Mertens, Andreas; Tempel, Hermann; Schierholz, Roland; Kungl, Hans; Eichel, Rüdiger-A

    2018-06-22

    High interfacial resistance between solid electrolyte and electrode of ceramic all-solid-state batteries is a major reason for the reduced performance of these batteries. A solid-state battery using a monolithic all-phosphate concept based on screen printed thick LiTi 2 (PO 4 ) 3 anode and Li 3 V 2 (PO 4 ) 3 cathode composite layers on a densely sintered Li 1.3 Al 0.3 Ti 1.7 (PO 4 ) 3 solid electrolyte has been realized with competitive cycling performance. The choice of materials was primarily based on the (electro-)chemical and mechanical matching of the components instead of solely focusing on high-performance of individual components. Thus, the battery utilized a phosphate backbone in combination with tailored morphology of the electrode materials to ensure good interfacial matching for a durable mechanical stability. Moreover, the operating voltage range of the active materials matches with the intrinsic electrochemical window of the electrolyte which resulted in high electrochemical stability. A highly competitive discharge capacity of 63.5 mAh g -1 at 0.39 C after 500 cycles, corresponding to 84% of the initial discharge capacity, was achieved. The analysis of interfacial charge transfer kinetics confirmed the structural and electrical properties of the electrodes and their interfaces with the electrolyte, as evidenced by the excellent cycling performance of the all-phosphate solid-state battery. These interfaces have been studied via impedance analysis with subsequent distribution of relaxation times analysis. Moreover, the prepared solid-state battery could be processed and operated in air atmosphere owing to the low oxygen sensitivity of the phosphate materials. The analysis of electrolyte/electrode interfaces after cycling demonstrates that the interfaces remained stable during cycling.

  17. Solid state lasers II; Proceedings of the Meeting, Los Angeles, CA, Jan. 24, 25, 1991

    International Nuclear Information System (INIS)

    Dube, G.

    1991-01-01

    Topics presented include an upgrade of the LLNL Nova laser for inertial confinement fusion, the design and energy characteristics of a multisegment glass-disk amplifier, a wavemeter for tuning solid state lasers, and the fabrication of laser materials by laser-heated pedestal growth. Also presented are the suppression of relaxation oscillations in flash-pumped 2-micron lasers, diode pumping of tunable Cr-doped lasers, 2D periodic structures in a solid state laser resonator, and single-frequency solid state lasers and amplifiers

  18. Thermophilic cellulase production by Taralomyces sp. in solid-state cultivation

    Energy Technology Data Exchange (ETDEWEB)

    Nishio, N; Kurisu, H; Nagai, S

    1981-01-01

    The effects of substrate moisture content and culture temperature on the production of carboxymethyl cellulase (CMCase) and avicel hydrolyzing activity (avicelase) by Taralomyces sp. were studied in solid state cultivation using wheat bran. The moisture content of wheat bran was maintained at 40, 45, 50, 55 and 58/sup 0/C throughout the solid state cultures. The maximum avicelase formation was observed when the substrate moisture content and the culture temperature were maintained at 60% and 45/sup 0/C, respectively. The maximum CMCase formation was observed when the moisture content was maintained between 60 and 70% at 50/sup 0/C. Optimum reaction temperatures of CMCase and avicelase were 80 and 60/sup 0/C, respectively.

  19. Solid-state radar switchboard

    Science.gov (United States)

    Thiebaud, P.; Cross, D. C.

    1980-07-01

    A new solid-state radar switchboard equipped with 16 input ports which will output data to 16 displays is presented. Each of the ports will handle a single two-dimensional radar input, or three ports will accommodate a three-dimensional radar input. A video switch card of the switchboard is used to switch all signals, with the exception of the IFF-mode-control lines. Each card accepts inputs from up to 16 sources and can pass a signal with bandwidth greater than 20 MHz to the display assigned to that card. The synchro amplifier of current systems has been eliminated and in the new design each PPI receives radar data via a single coaxial cable. This significant reduction in cabling is achieved by adding a serial-to-parallel interface and a digital-to-synchro converter located at the PPI.

  20. Theoretical approaches to control spin dynamics in solid-state ...

    Indian Academy of Sciences (India)

    We present fundamental theories in the history of NMR, namely, the average Hamiltonian and Floquet theories. We also ..... The results are better illustrated in a double ...... Matter 17 4501. 94. Ernst M 2006 Germany: Solid-State NMR Summer.

  1. Future Solid State Lighting using LEDs and Diode Lasers

    DEFF Research Database (Denmark)

    Petersen, Paul Michael

    2014-01-01

    applications. Within the coming years, it is expected that the efficiency of blue laser diodes will approach the efficiency of infrared diode lasers. This will enable high efficiency white light generation with very high lumen per watt values. SSL today is mainly based on phosphor converted blue light emitting......Lighting accounts for 20% of all electrical energy usage. Household lighting and commercial lighting such as public and street lighting are responsible for significant greenhouse gas emissions. Therefore, currently many research initiatives focus on the development of new light sources which shows...... significant savings. Solid state lighting (SSL) based on LEDs is today the most efficient light source for generation of high quality white light. Diode lasers, however, have the potential of being more efficient than LEDs for the generation of white light. A major advantage using diode lasers for solid state...

  2. Experimental and Computational Approaches to Interfacial Resistance in Solid-State Batteries

    Energy Technology Data Exchange (ETDEWEB)

    Takada, Kazunori, E-mail: takada.kazunori@nims.go.jp [Battery Materials Unit, National Institute for Materials Science, Tsukuba (Japan); Global Research Center for Environment and Energy Based on Nanomaterials Science, National Institute for Materials Science, Tsukuba (Japan); Ohno, Takahisa [Global Research Center for Environment and Energy Based on Nanomaterials Science, National Institute for Materials Science, Tsukuba (Japan); Computational Materials Science Unit, National Institute for Materials Science, Tsukuba (Japan)

    2016-03-30

    Solid-state batteries with inorganic solid electrolytes are expected to be an efficient solution to the issues of current lithium-ion batteries that are originated from their organic-solvent electrolytes. Although solid-state batteries had been suffering from low rate capability due to low ionic conductivities of solid electrolytes, some sulfide solid electrolytes exhibiting high ionic conductivity of the order of 10{sup −2} S cm{sup −1} have been recently developed. Since the conductivity is comparable to or even higher than that of liquid electrolytes, when taking the transport number of unity into account, ion transport in solid electrolytes has ceased from rate determination; however, it has been replaced by that across interfaces. The sulfide electrolytes show high interfacial resistance to the high-voltage cathodes. Our previous studies have demonstrated that oxide solid electrolytes interposed at the interface reduce the resistance, and they also suggest that the high resistance is attributable to a lithium-depleted layer formed at the interface. This study employs the first-principles calculation in order to gain insight into the interface. The interface structure between an oxide cathode/sulfide electrolyte simulated by the first-principles molecular dynamics has disclosed the presence of lithium-depleted layer at the interface, and the electronic structure calculated on the basis of density functional theory strongly suggests that the charge current preferentially removes lithium ions from the sulfide electrolyte side of the interface to deplete the lithium ion there. These calculation results are consistent with the transport mechanism proposed from the experimental results.

  3. Experimental and Computational Approaches to Interfacial Resistance in Solid-State Batteries

    International Nuclear Information System (INIS)

    Takada, Kazunori; Ohno, Takahisa

    2016-01-01

    Solid-state batteries with inorganic solid electrolytes are expected to be an efficient solution to the issues of current lithium-ion batteries that are originated from their organic-solvent electrolytes. Although solid-state batteries had been suffering from low rate capability due to low ionic conductivities of solid electrolytes, some sulfide solid electrolytes exhibiting high ionic conductivity of the order of 10 −2 S cm −1 have been recently developed. Since the conductivity is comparable to or even higher than that of liquid electrolytes, when taking the transport number of unity into account, ion transport in solid electrolytes has ceased from rate determination; however, it has been replaced by that across interfaces. The sulfide electrolytes show high interfacial resistance to the high-voltage cathodes. Our previous studies have demonstrated that oxide solid electrolytes interposed at the interface reduce the resistance, and they also suggest that the high resistance is attributable to a lithium-depleted layer formed at the interface. This study employs the first-principles calculation in order to gain insight into the interface. The interface structure between an oxide cathode/sulfide electrolyte simulated by the first-principles molecular dynamics has disclosed the presence of lithium-depleted layer at the interface, and the electronic structure calculated on the basis of density functional theory strongly suggests that the charge current preferentially removes lithium ions from the sulfide electrolyte side of the interface to deplete the lithium ion there. These calculation results are consistent with the transport mechanism proposed from the experimental results.

  4. Solid state physics advances in research and applications

    CERN Document Server

    Ehrenreich, Henry

    1994-01-01

    The latest volume in the world renowned Solid State Physics series marks the fruition of Founding Editor David Turnbull''s outstanding tenure as series editor. Volume 47 presents five articles written by leadingexperts on areas including crystal-melt interfacial tension, order-disorder transformation in alloys, brittle matrix composites, surfaces and interfaces, and magnetoresistance.

  5. Solid-state radiation detectors technology and applications

    CERN Document Server

    2015-01-01

    The book discusses the current solid state material used in advance detectors manufacturing and their pros and cons and how one can tailor them using different techniques, to get the maximum performance. The book is application oriented to radiation detectors for medical, X and gamma rays application, and good reference with in-depth discussion of detector's physics as it relates to medical application tailored for engineers and scientists.

  6. Electrochemical Impedance Spectroscopy in Solid State Ionics: Recent Advances

    NARCIS (Netherlands)

    Boukamp, Bernard A.

    2004-01-01

    Electrochemical Impedance Spectroscopy (EIS) has become an important research tool in Solid State Ionics. Some new developments are highlighted: new methods of automatic parameter extraction from impedance measurements are briefly discussed. The Kramers–Kronig data validation test presents another

  7. Solid state theory. An introduction. 2. rev. and ext. ed.

    International Nuclear Information System (INIS)

    Roessler, Ulrich

    2009-01-01

    Solid-State Theory - An Introduction is a textbook for graduate students of physics and material sciences. It stands in the tradition of older textbooks on this subject but takes up new developments in theoretical concepts and materials which are connected with such path breaking discoveries as the Quantum-Hall Effects, the high-Tc superconductors, and the low-dimensional systems realized in solids. Thus besides providing the fundamental concepts to describe the physics of electrons and ions of which the solid consists, including their interactions and the interaction with light, the book casts a bridge to the experimental facts and opens the view into current research fields. (orig.)

  8. 20th International Conference on Solid State Ionics (SSI 20)

    Science.gov (United States)

    2016-05-20

    Italy; 2CNST @PoliMI, Istituto Italiano di Tecnologia , Milano, Italy; 3Physical Chemistry of Solids, Max Planck Institute for Solid State Research...Coughlin5; 1Chemical Sciences, University of Padova, Padova, Italy; 2Consorzio Interuniversitario Nazionale per la Scienza e la Tecnologia dei Materiali...Germany; 2Instituto de Tecnologia Quimica , Valencia, Spain; 3Ernst Ruska Center, Jülich, Germany. 4:50 PM J5.05 Hydrogen Permeation through CO2-Stable

  9. NiF2/NaF:CaF2/Ca Solid-State High-Temperature Battery Cells

    Science.gov (United States)

    West, William; Whitacre, Jay; DelCastillo, Linda

    2009-01-01

    Experiments and theoretical study have demonstrated the promise of all-solid-state, high-temperature electrochemical battery cells based on NiF2 as the active cathode material, CaF2 doped with NaF as the electrolyte material, and Ca as the active anode material. These and other all-solid-state cells have been investigated in a continuing effort to develop batteries for instruments that must operate in environments much hotter than can be withstood by ordinary commercially available batteries. Batteries of this type are needed for exploration of Venus (where the mean surface temperature is about 450 C), and could be used on Earth for such applications as measuring physical and chemical conditions in geothermal wells and oil wells. All-solid-state high-temperature power cells are sought as alternatives to other high-temperature power cells based, variously, on molten anodes and cathodes or molten eutectic salt electrolytes. Among the all-solid-state predecessors of the present NiF2/NaF:CaF2/Ca cells are those described in "Solid-State High-Temperature Power Cells" (NPO-44396), NASA Tech Briefs, Vol. 32, No. 5 (May 2008), page 40. In those cells, the active cathode material is FeS2, the electrolyte material is a crystalline solid solution of equimolar amounts of Li3PO4 and LiSiO4, and the active anode material is Li contained within an alloy that remains solid in the intended high operational temperature range.

  10. A Good Name and Great Riches: Rebranding Solid State Physics for the National Laboratories

    Science.gov (United States)

    Martin, Joseph

    2012-03-01

    In 1943 Oliver Buckley, lamenting the inadequacy of term ``physics'' to evoke what physicists did, quoted the proverb, ``A good name is rather to be chosen than great riches.'' Some forty years later, solid state physicists confronted similar discontent with their name, precipitating the rise of the appellation ``condensed matter physics.'' Ostensibly a rebranding of a well-established field, the change signaled deeper conceptual and institutional realignment. Whereas ``solid state'' emerged in the 1940s in the service of institutional aims, ``condensed matter'' more accurately captured a distinct set of theoretical and experimental approaches. Reimagining the field around core conceptual approaches set condensed matter apart from the inchoate field of materials science, which subsumed a growing proportion of solid state funding and personnel through the 1980s. Federally funded research installations were the source of ``great riches'' for scientific research. The DOE National Laboratory System and the DARPA network of Interdisciplinary Laboratories, given their responsiveness to shifts in national funding priorities, provide a sensitive historical instrument through which to trace the transition from solid state to condensed matter. The reorganization of solid state in response to the evolution of national priorities and funding practices precipitated a sharpening of the field's intellectual mission. At the same time, it reflected the difficulties solid state faced articulating its intellectual--as opposed to technological--merit. The proverb continues, `` and loving favor rather than silver and gold.'' The adoption of a name that emphasized intellectual cohesion and associated social esteem exposed the growing tension between technology-oriented national funding goals for materials research and condensed matter physics' ascendant intellectual identity.

  11. Space groups for solid state scientists

    CERN Document Server

    Glazer, Michael; Glazer, Alexander N

    2014-01-01

    This Second Edition provides solid state scientists, who are not necessarily experts in crystallography, with an understandable and comprehensive guide to the new International Tables for Crystallography. The basic ideas of symmetry, lattices, point groups, and space groups are explained in a clear and detailed manner. Notation is introduced in a step-by-step way so that the reader is supplied with the tools necessary to derive and apply space group information. Of particular interest in this second edition are the discussions of space groups application to such timely topics as high-te

  12. Lovastatin production by Aspergillus terreus in solid state and ...

    African Journals Online (AJOL)

    user

    Department of Biochemistry of Physiologically Active Compounds, Institute of ... Keywords: lovastatin, submerged fermentation, solid state fermentation, production ... water need in up-stream processing which minimizes production expense (Holker .... authors, a slowly utilizable carbon source is preferable for high lovastatin ...

  13. Lovastatin production by Aspergillus terreus in solid state and ...

    African Journals Online (AJOL)

    user

    Department of Biochemistry of Physiologically Active Compounds, Institute of ... Keywords: lovastatin, submerged fermentation, solid state fermentation, production ... water need in up-stream processing which minimizes production expense (Holker et .... Effect of carbon and nitrogen sources on lovastatin yield by Aspergillus ...

  14. All conducting polymer electrodes for asymmetric solid-state supercapacitors

    KAUST Repository

    Kurra, Narendra; Wang, Ruiqi; Alshareef, Husam N.

    2015-01-01

    electrode material. In addition, the high stability of PEDOT in its oxidised state makes it capable to exhibit electrochemical activity in a wide potential window. This can qualify PEDOT to be used as a negative electrode in fabricating asymmetric solid

  15. Solid state low power pulsed NMR spectrometer system

    International Nuclear Information System (INIS)

    Nadkarni, S.S.; Parthasarathy, T.G.; Menon, M.P.S.; Hannurkar, P.R.

    1981-01-01

    A pulsed nuclear magnetic resonance spectrometer system is described for relaxation time studies on solid and liquid samples. The spectrometer design is fully solid state and a special microcomputer interface is incorporated for automatic evaluation of the relaxation times. The prototype system has been designed to operate at 9 MHz, but the modular concept used in the construction permits operation at any frequency in the range 5-10 MHz. The system has a recovery time of 15 micro seconds at 9 MHz. The range of measurement for the spin-lattice relaxation time is 0.1 millisecond to 1000 seconds; for spin-spin relaxation time, the range is 14μ seconds to 100 milliseconds. (author)

  16. Magnetic coupling between liquid 3He and a solid state substrate: a new approach

    Science.gov (United States)

    Klochkov, Alexander V.; Naletov, Vladimir V.; Tayurskii, Dmitrii A.; Tagirov, Murat S.; Suzuki, Haruhiko

    2000-07-01

    We suggest a new approach for solving the long-standing problem of a magnetic coupling between liquid 3He and a solid state substrate at temperatures above the Fermi temperature. The approach is based on our previous careful investigations of the physical state of a solid substrate by means of several experimental methods (EPR, NMR, conductometry, and magnetization measurements). The developed approach allows, first, to get more detailed information about the magnetic coupling phenomenon by varying the repetition time in pulse NMR investigations of liquid 3He in contact with the solid state substrate and, second, to compare the obtained dependences and the data of NMR-cryoporometry and AFM-microscopy.

  17. Solid state radiation detector system

    International Nuclear Information System (INIS)

    1977-01-01

    A solid state radiation flux detector system utilizes a detector element, consisting of a bar of semiconductor having electrical conductance of magnitude dependent upon the magnitude of photon and charged particle flux impinging thereon, and negative feedback circuitry for adjusting the current flow through a light emitting diode to facilitate the addition of optical flux, having a magnitude decreasing in proportion to any increase in the magnitude of radiation (e.g. x-ray) flux incident upon the detector element, whereby the conductance of the detector element is maintained essentially constant. The light emitting diode also illuminates a photodiode to generate a detector output having a stable, highly linear response with time and incident radiation flux changes

  18. Nanoengineering for solid-state lighting.

    Energy Technology Data Exchange (ETDEWEB)

    Schubert, E. Fred (Rensselaer Polytechnic Institute,Troy, NY); Koleske, Daniel David; Wetzel, Christian (Rensselaer Polytechnic Institute,Troy, NY); Lee, Stephen Roger; Missert, Nancy A.; Lin, Shawn-Yu (Rensselaer Polytechnic Institute,Troy, NY); Crawford, Mary Hagerott; Fischer, Arthur Joseph

    2009-09-01

    This report summarizes results from a 3-year Laboratory Directed Research and Development project performed in collaboration with researchers at Rensselaer Polytechnic Institute. Our collaborative effort was supported by Sandia's National Institute for Nanoengineering and focused on the study and application of nanoscience and nanoengineering concepts to improve the efficiency of semiconductor light-emitting diodes for solid-state lighting applications. The project explored LED efficiency advances with two primary thrusts: (1) the study of nanoscale InGaN materials properties, particularly nanoscale crystalline defects, and their impact on internal quantum efficiency, and (2) nanoscale engineering of dielectric and metal materials and integration with LED heterostructures for enhanced light extraction efficiency.

  19. Solid-state disk amplifiers for fusion-laser systems

    Energy Technology Data Exchange (ETDEWEB)

    Martin, W.E.; Trenholme, J.B.; Linford, G.J.; Yarema, S.M.; Hurley, C.A.

    1981-09-01

    We review the design, performance, and operation of large-aperture (10 to 46 cm) solid-state disk amplifiers for use in laser systems. We present design data, prototype tests, simulations, and projections for conventional cylindrical pump-geometry amplifiers and rectangular pump-geometry disk amplifiers. The design of amplifiers for the Nova laser system is discussed.

  20. Thiazol-4-one derivatives from the reaction of monosubstituted thioureas with maleimides: structures and factors determining the selectivity and tautomeric equilibrium in solution

    Directory of Open Access Journals (Sweden)

    Alena S. Pankova

    2016-11-01

    Full Text Available 2-(Alkyl(arylaminothiazol-4(5H-ones can regioselectively be prepared from monoalkyl(arylthioureas and maleimides. In solution, the former heterocycles exist in a tautomeric equilibrium with 2-(alkyl(aryliminothiazolidin-4-ones and the substituent on the exocyclic nitrogen atom governs the ratio of these tautomers. Isomers with the alkyl group in the endocyclic position can be obtained from N-methyl(ethylthioureas. 2D NMR spectroscopy and DFT calculations rationalize experimental results.

  1. Solid-State Photomultiplier with Integrated Front End Electronics

    Science.gov (United States)

    Christian, James; Stapels, Christopher; Johnson, Erik; Mukhopadhyay, Sharmistha; Jie Chen, Xiao; Miskimen, Rory

    2009-10-01

    The instrumentation cost of physics experiments has been reduced per channel, by the use of solid-state detectors, but these cost-effective techniques have not been translated to scintillation-based detectors. When considering photodetectors, the cost per channel is determined by the use of high-voltage, analog-to-digital converters, BNC cables, and any other ancillary devices. The overhead associated with device operation limits the number of channels for the detector system, while potentially limiting the scope of physics that can be explored. The PRIMEX experiment at JLab, which is being designed to measure the radiative widths of the η and η' pseudo-scalar mesons for a more comprehensive understanding of QCD at low energies, is an example where CMOS solid-state photomultipliers (SSPMs) can be implemented. The ubiquitous nature of CMOS allows for on-chip signal processing to provide front-end electronics within the detector package. We present the results of the device development for the PRIMEX calorimeter, discussing the characteristics of SSPMs, the potential cost savings, and experimental results of on-chip signal processing.

  2. Solid state NMR study of cumbaru flour

    International Nuclear Information System (INIS)

    Nogueira, Jose S.; Bathista, Andre L.B.S.; Silva, Emerson O.; Priante Filho, Nicolau; Tavares, Maria I.B.

    2001-01-01

    The polysaccharide obtained by seed of Dipteryx alata Vog, has been characterised by 13 C solid state, using the basic routine techniques, like MAS and CPMAS and by the proton spin-lattice relaxation time in the rotating frame parameter (T 1 H ρ). Knowing that the chemical structure and molecular dynamic are extremely necessary route to obtain information on the polysaccharides, this work contributes to the classification of the seed containing in the cumbaru fruit to get response on its application. To obtain the initial responses for our purposes some solid state NMR techniques were chosen. The CPMAS 13 C NMR spectrum of the polysaccharide was investigated to know if it has some crystallinity. The MAS 13 C NMR spectrum showed the presence of domains with distinct molecular mobility, because these domains will differ basically in the distribution size and chain packing. The variable contact time experiment was used to analyse the distribution form of 13 C decays, which give us more information about sample heterogeneity. The T 1 H ρHr values were obtained from the variable contact time and by delayed contact time experiment, because these parameter indicate the order of polysaccharides. From the values of this parameter, we found that this polysaccharide is completely non-ordered. (author)

  3. Solid state gas sensors. Industrial application

    Energy Technology Data Exchange (ETDEWEB)

    Fleischer, Maximilian [Siemens AG, Muenchen (Germany). Corporate Technology; Lehmann, Mirko (eds.) [Innovative Sensor Technology (IST) AG, Wattwil (Switzerland)

    2012-11-01

    Written by experts. Richly illustrated. Encourages future research and investments in the fascinating field of gas sensors. Gas sensor products are very often the key to innovations in the fields of comfort, security, health, environment, and energy savings. This compendium focuses on what the research community labels as solid state gas sensors, where a gas directly changes the electrical properties of a solid, serving as the primary signal for the transducer. It starts with a visionary approach to how life in future buildings can benefit from the power of gas sensors. The requirements for various applications, such as for example the automotive industry, are then discussed in several chapters. Further contributions highlight current trends in new sensing principles, such as the use of nanomaterials and how to use new sensing principles for innovative applications in e.g. meteorology. So as to bring together the views of all the different groups needed to produce new gas sensing applications, renowned industrial and academic representatives report on their experiences and expectations in research, applications and industrialisation.

  4. On the Floquet–Magnus expansion: Applications in solid-state nuclear magnetic resonance and physics

    Energy Technology Data Exchange (ETDEWEB)

    Mananga, Eugene Stephane, E-mail: emananga@gradcenter.cuny.edu [Harvard Medical School and Massachusetts General Hospital, Center for Advanced Medical Imaging Sciences, Division of Nuclear Medicine and Molecular Imaging Physics, Department of Radiology, 55 Fruit Street, Boston, Massachusetts 02114 (United States); Charpentier, Thibault, E-mail: thibault.charpentier@cea.fr [Commissariat à l’Energie Atomique, IRAMIS, Service interdisciplinaire sur les systèmes moléculaires et matériaux, CEA/CNRS UMR 3299, 91191, Gif-sur-Yvette (France)

    2016-01-22

    Theoretical approaches are useful and powerful tools for more accurate and efficient spin dynamics simulation to understand experiments and devising new RF pulse sequence in nuclear magnetic resonance. Solid-state NMR is definitely a timely topic or area of research, and not many papers on the respective theories are available in the literature of nuclear magnetic resonance or physics reports. This report presents the power and the salient features of the promising theoretical approach called Floquet–Magnus expansion that is helpful to describe the time evolution of the spin system at all times in nuclear magnetic resonance. The report presents a broad view of algorithms of spin dynamics, based on promising and useful theory of Floquet–Magnus expansion. This theory provides procedures to control and describe the spin dynamics in solid-state NMR. Major applications of the Floquet–Magnus expansion are illustrated by simple solid-state NMR and physical applications such as in nuclear, atomic, molecular physics, and quantum mechanics, NMR, quantum field theory and high energy physics, electromagnetism, optics, general relativity, search of periodic orbits, and geometric control of mechanical systems. The aim of this report is to bring to the attention of the spin dynamics community, the bridge that exists between solid-state NMR and other related fields of physics and applied mathematics. This review article also discusses future potential theoretical directions in solid-state NMR.

  5. Controlling Long-Lived Triplet Generation from Intramolecular Singlet Fission in the Solid State

    KAUST Repository

    Pace, Natalie A.; Zhang, Weimin; Arias, Dylan H.; McCulloch, Iain; Rumbles, Garry; Johnson, Justin C.

    2017-01-01

    The conjugated polymer poly(benzothiophene dioxide) (PBTDO1) has recently been shown to exhibit efficient intramolecular singlet fission in solution. In this paper, we investigate the role of intermolecular interactions in triplet separation dynamics after singlet fission. We use transient absorption spectroscopy to determine the singlet fission rate and triplet yield in two polymers differing only by side chain motif in both solution and the solid state. Whereas solid-state films show singlet fission rates identical to those measured in solution, the average lifetime of the triplet population increases dramatically, and is strongly dependent on side-chain identity. These results show that it may be necessary to carefully engineer the solid-state microstructure of these “singlet fission polymers” in order to produce the long-lived triplets needed to realize efficient photovoltaic devices.

  6. Controlling Long-Lived Triplet Generation from Intramolecular Singlet Fission in the Solid State

    KAUST Repository

    Pace, Natalie A.

    2017-11-30

    The conjugated polymer poly(benzothiophene dioxide) (PBTDO1) has recently been shown to exhibit efficient intramolecular singlet fission in solution. In this paper, we investigate the role of intermolecular interactions in triplet separation dynamics after singlet fission. We use transient absorption spectroscopy to determine the singlet fission rate and triplet yield in two polymers differing only by side chain motif in both solution and the solid state. Whereas solid-state films show singlet fission rates identical to those measured in solution, the average lifetime of the triplet population increases dramatically, and is strongly dependent on side-chain identity. These results show that it may be necessary to carefully engineer the solid-state microstructure of these “singlet fission polymers” in order to produce the long-lived triplets needed to realize efficient photovoltaic devices.

  7. Physicochemical properties and thermal stability of quercetin hydrates in the solid state

    Energy Technology Data Exchange (ETDEWEB)

    Borghetti, G.S., E-mail: greicefarm@yahoo.com.br [Programa de Pos-Graduacao em Ciencias Farmaceuticas, Faculdade de Farmacia, Universidade Federal do Rio Grande do Sul, Av. Ipiranga 2752, CEP 90.610-000, Porto Alegre, RS (Brazil); Carini, J.P. [Programa de Pos-Graduacao em Ciencias Farmaceuticas, Faculdade de Farmacia, Universidade Federal do Rio Grande do Sul, Av. Ipiranga 2752, CEP 90.610-000, Porto Alegre, RS (Brazil); Honorato, S.B.; Ayala, A.P. [Departamento de Fisica, Universidade Federal do Ceara, Caixa Postal 6030, CEP 60.455-970, Fortaleza, CE (Brazil); Moreira, J.C.F. [Departamento de Bioquimica, Instituto de Ciencias Basicas da Saude, Universidade Federal do Rio Grande do Sul, Rua Ramiro Barcelos 2600, CEP 90035-003, Porto Alegre, RS (Brazil); Bassani, V.L. [Programa de Pos-Graduacao em Ciencias Farmaceuticas, Faculdade de Farmacia, Universidade Federal do Rio Grande do Sul, Av. Ipiranga 2752, CEP 90.610-000, Porto Alegre, RS (Brazil)

    2012-07-10

    Highlights: Black-Right-Pointing-Pointer Quercetin raw materials may present different degree of hydration. Black-Right-Pointing-Pointer Thermal stability of quercetin in the solid state depends on its degree of hydration. Black-Right-Pointing-Pointer Quercetin dehydrate is thermodynamically more stable than the other crystal forms. - Abstract: In the present work three samples of quercetin raw materials (QCTa, QCTb and QCTc), purchased from different Brazilian suppliers, were characterized employing scanning electron microscopy, Raman spectroscopy, simultaneous thermogravimetry and infrared spectroscopy, differential scanning calorimetry, and variable temperature-powder X-ray diffraction, in order to know their physicochemical properties, specially the thermal stability in solid state. The results demonstrated that the raw materials of quercetin analyzed present distinct crystalline structures, ascribed to the different degree of hydration of their crystal lattice. The thermal stability of these quercetin raw materials in the solid state was highly dependent on their degree of hydration, where QCTa (quercetin dihydrate) was thermodynamically more stable than the other two samples.

  8. Intra-particle oxygen diffusion limitation in solid-state fermentation

    NARCIS (Netherlands)

    Oostra, J.; Comte, le E.P.; Heuvel, van den J.C.; Tramper, J.; Rinzema, A.

    2001-01-01

    Oxygen limitation in solid-state fermentation (SSF) has been the topic of modeling studies, but thus far, there has been no experimental elucidation on oxygen-transfer limitation at the particle level. Therefore, intra-particle oxygen transfer was experimentally studied in cultures of Rhizopus

  9. Reflections on the 34th Midwest Solid State Conference

    International Nuclear Information System (INIS)

    Feldman, B.J.

    1987-01-01

    The 34th Midwest Solid State Conference was held October 24 and 25, 1986 in St. Louis, Missouri. The topics covered included quantum wells, superlattices, tunneling current, periodicities in liquid crystals, nonlinear patterns in dendritic crystal growth, and current fluctuations in disordered metals

  10. Secondary Metabolites Production by Solid-State Fermentation

    Directory of Open Access Journals (Sweden)

    Barrios-González, J.

    2005-01-01

    Full Text Available Microbial secondary metabolites are useful high value products with an enormous range of biological activities. Moreover, the past two decades have been a phase of rapid discovery of new activities and development of major compounds for use in different industrial fields, mainly pharmaceuticals, cosmetics, food, agriculture and farming. Many of these metabolites could be produced advantageously in industry by solid–state fermentation (SSF. Two types of SSF can be distinguished, depending on the nature of the solid phase used: 1 Solid cultures of one support-substrate phase in which solid phase is constituted by a material that assumes, simultaneously, the functions of support and of nutrients source; and 2 Solid cultures of two substrate-support phases: solid phase is constituted by an inert support impregnated with a liquid medium. Besides good production performance, two phases systems have provided a convenient model for basic studies. Studies in our laboratory, as well as in others, have shown that physiology of idiophase (production phase in SSF share several similarities with the physiology in liquid medium, so similar strategies must be adapted for efficient production processes. However, our studies indicate the need to develop special strains for SSF since overproducing strains, generated for liquid fermentation, cannot be relied upon to perform well in SSF. On the other hand, there are important parameters, specific for SSF, that have to be optimized (pretreatment, initial moisture content, medium concentration and aeration. Respiration studies of secondary metabolites SSF, performed in our laboratory, have shown more subtle aspects of efficient production in SSF. This indicates that there are certain particularities of physiology in SSF that represent the point that needs a better understanding, and that promise to generate knowledge that will be the basis for efficient processes development and control strategies, as well as for

  11. Modeling of positron states and annihilation in solids

    International Nuclear Information System (INIS)

    Puska, M.J.

    2003-01-01

    Theoretical models and computational aspects to describe positron states and to predict positron annihilation characteristics in solids are discussed. The comparison of the calculated positron lifetimes, core annihilation lineshapes, and two-dimensional angular correlation maps with experimental results are used in identifying the structure (including the chemical composition) of vacancy-type defects and their development e.g. during thermal annealing. The basis of the modeling is the two-component density-functional theory. The ensuing approximations and the state-of-the-art electronic-structure computation methods enable practical schemes with a quantitative predicting power. (author)

  12. Cladding for transverse-pumped solid-state laser

    Science.gov (United States)

    Byer, Robert L. (Inventor); Fan, Tso Y. (Inventor)

    1989-01-01

    In a transverse pumped, solid state laser, a nonabsorptive cladding surrounds a gain medium. A single tranverse mode, namely the Transverse Electromagnetic (TEM) sub 00 mode, is provided. The TEM sub 00 model has a cross sectional diameter greater than a transverse dimension of the gain medium but less than a transverse dimension of the cladding. The required size of the gain medium is minimized while a threshold for laser output is lowered.

  13. Solid-state electrochromic cell with anodic iridium oxide film electrodes

    International Nuclear Information System (INIS)

    Dautremont-Smith, W.C.; Beni, G.; Schiavone, L.M.; Shay, J.L.

    1979-01-01

    A new solid-state electrochromic cell has been fabricated using an anodic iridium oxide film (AIROF) display electrode. The cell has the symmetric sandwich structure AIROFvertical-barNafionvertical-barAIROF, with the Nafion solid electrolyte opacified by an in situ precipitation technique. A symmetric square-wave voltage of 1.5 V amplitude produces clearly perceivable color changes from pale to dark blue-gray in approx. =1 sec when viewed in diffuse reflection. Good open-circuit optical memory is exhibited:

  14. Ultrafast laser spectroscopy in complex solid state materials

    Energy Technology Data Exchange (ETDEWEB)

    Li, Tianqi [Iowa State Univ., Ames, IA (United States)

    2014-12-01

    This thesis summarizes my work on applying the ultrafast laser spectroscopy to the complex solid state materials. It shows that the ultrafast laser pulse can coherently control the material properties in the femtosecond time scale. And the ultrafast laser spectroscopy can be employed as a dynamical method for revealing the fundamental physical problems in the complex material systems.

  15. International survey on solid state nuclear track detection

    International Nuclear Information System (INIS)

    Azimi-Garakani, D.; Wernli, C.

    1992-04-01

    The results of the 1990 international survey on solid state nuclear track detection are presented. The survey was performed in collaboration with the International Nuclear Track Society (INTS). These results include the data on principal investigator(s), collaborator(s), institution, field of application(s), material(s), and method(s) of track observation from 28 countries. (author)

  16. SOLID-STATE STORAGE DEVICE WITH PROGRAMMABLE PHYSICAL STORAGE ACCESS

    DEFF Research Database (Denmark)

    2017-01-01

    a storage device action request, and the storage device evaluating a first rule of the one or more rules by determining if the received request fulfills request conditions comprised in the first rule, and in the affirmative the storage device performing request actions comprised in the first rule......Embodiments of the present invention includes a method of operating a solid-state storage device, comprising a storage device controller in the storage device receiving a set of one or more rules, each rule comprising (i) one or more request conditions to be evaluated for a storage device action...... request received from a host computer, and (ii) one or more request actions to be performed on a physical address space of a non-volatile storage unit in the solid-state storage device in case the one or more request conditions are fulfilled; the method further comprises: the storage device receiving...

  17. A solid-state dielectric elastomer switch for soft logic

    Energy Technology Data Exchange (ETDEWEB)

    Chau, Nixon [Biomimetics Laboratory, Auckland Bioengineering Institute, The University of Auckland, Level 6, 70 Symonds Street, Auckland 1010 (New Zealand); Slipher, Geoffrey A., E-mail: geoffrey.a.slipher.civ@mail.mil; Mrozek, Randy A. [U.S. Army Research Laboratory, 2800 Powder Mill Road, Adelphi, Maryland 20783 (United States); O' Brien, Benjamin M. [StretchSense, Ltd., 27 Walls Rd., Penrose, Auckland 1061 (New Zealand); Anderson, Iain A. [Biomimetics Laboratory, Auckland Bioengineering Institute, The University of Auckland, Level 6, 70 Symonds Street, Auckland 1010 (New Zealand); StretchSense, Ltd., 27 Walls Rd., Penrose, Auckland 1061 (New Zealand); Department of Engineering Science, School of Engineering, The University of Auckland, Level 3, 70 Symonds Street, Auckland 1010 (New Zealand)

    2016-03-07

    In this paper, we describe a stretchable solid-state electronic switching material that operates at high voltage potentials, as well as a switch material benchmarking technique that utilizes a modular dielectric elastomer (artificial muscle) ring oscillator. The solid-state switching material was integrated into our oscillator, which self-started after 16 s and performed 5 oscillations at a frequency of 1.05 Hz with 3.25 kV DC input. Our materials-by-design approach for the nickel filled polydimethylsiloxane based switch has resulted in significant improvements over previous carbon grease-based switches in four key areas, namely, sharpness of switching behavior upon applied stretch, magnitude of electrical resistance change, ease of manufacture, and production rate. Switch lifetime was demonstrated to be in the range of tens to hundreds of cycles with the current process. An interesting and potentially useful strain-based switching hysteresis behavior is also presented.

  18. Performance of a 229Thorium solid-state nuclear clock

    International Nuclear Information System (INIS)

    Kazakov, G A; Schreitl, M; Winkler, G; Schumm, T; Litvinov, A N; Romanenko, V I; Yatsenko, L P; Romanenko, A V

    2012-01-01

    The 7.8 eV nuclear isomer transition in 229 thorium has been suggested as a clock transition in a new type of optical frequency standard. Here we discuss the construction of a ‘solid-state nuclear clock’ from thorium nuclei implanted into single crystals transparent in the vacuum ultraviolet range. We investigate crystal-induced line shifts and broadening effects for the specific system of calcium fluoride. At liquid nitrogen temperatures, the clock performance will be limited by decoherence due to magnetic coupling of the thorium nuclei to neighboring nuclear moments, ruling out the commonly used Rabi or Ramsey interrogation schemes. We propose clock stabilization based on a fluorescence spectroscopy method and present optimized operation parameters. Taking advantage of the large number of quantum oscillators under continuous interrogation, a fractional instability level of 10 −19 might be reached within the solid-state approach. (paper)

  19. A balloon-borne solid state cosmic X-ray detector

    International Nuclear Information System (INIS)

    Proctor, R.; Pietsch, W.; Reppin, C.

    1982-01-01

    On 9th May 1980 a MPI/AIT hard X-ray balloon payload successfully observed numerous cosmic X-ray sources. The payload consisted of a 2400 cm 2 Phoswich detector and a 114 cm 2 solid state detector. The solid state detector is described in this report. It consists of six intrinsic germanium planar crystals in a vacuum cryostat cooled by liquid nitrogen. The detector operates in the hard X-ray energy range of 20-150 keV and had in-flight a mean energy resolution of 2.75 keV at 60 keV. A hexagonal molybdenum collimator defined the field of view as approximately 4 0 fwhm. A CsI(Na) and plastic active shield and passive shielding provided background rejection. Mean background values of 1.3 X 10 -3 counts/(sec x cm 2 x keV) at 60 keV were obtained. (orig.)

  20. A solid-state dielectric elastomer switch for soft logic

    International Nuclear Information System (INIS)

    Chau, Nixon; Slipher, Geoffrey A.; Mrozek, Randy A.; O'Brien, Benjamin M.; Anderson, Iain A.

    2016-01-01

    In this paper, we describe a stretchable solid-state electronic switching material that operates at high voltage potentials, as well as a switch material benchmarking technique that utilizes a modular dielectric elastomer (artificial muscle) ring oscillator. The solid-state switching material was integrated into our oscillator, which self-started after 16 s and performed 5 oscillations at a frequency of 1.05 Hz with 3.25 kV DC input. Our materials-by-design approach for the nickel filled polydimethylsiloxane based switch has resulted in significant improvements over previous carbon grease-based switches in four key areas, namely, sharpness of switching behavior upon applied stretch, magnitude of electrical resistance change, ease of manufacture, and production rate. Switch lifetime was demonstrated to be in the range of tens to hundreds of cycles with the current process. An interesting and potentially useful strain-based switching hysteresis behavior is also presented.