WorldWideScience

Sample records for waves thermal isomerization

  1. Thermal E/ Z Isomerization in First Generation Molecular Motors.

    Science.gov (United States)

    Kuwahara, Shunsuke; Suzuki, Yuri; Sugita, Naoya; Ikeda, Mari; Nagatsugi, Fumi; Harada, Nobuyuki; Habata, Yoichi

    2018-04-20

    Determination of a thermal E/ Z isomerization barrier of first generation molecular motors is reported. Stable ( E)-1a directly converts to stable ( Z)-1c without photochemical E/ Z isomerization. The activation Gibbs energy of the isomerization was determined to be 123 kJ mol -1 by circular dichroism spectral changes. Density functional theory calculations show that ( Z)-1c is ∼11.4 kJ mol -1 more stable than ( E)-1a.

  2. Thermal isomerization of regiospecifically 10B-labeled icosahedral carboranes

    International Nuclear Information System (INIS)

    Edvenson, G.M.; Gaines, D.F.

    1990-01-01

    Thermal treatment of regiospecifically 10 B-enriched (96%) 3-( 10 B)-1,2-C 2 n B 9 H 12 and 2-( 10 B)-1,7-C 2 n B 9 H 12 ( n B = boron with normal isotopic abundances) followed by 10 B and 11 B NMR analysis reveal that (1) 3-( 10 B)-1,2-C 2 n B 9 H 12 undergoes rearrangements that completely scramble the enriched boron atom, (2) these rearrangements occur at a rate faster than the conversion of 1,2-C 2 B 10 H 12 to 1,7-C 2 B 10 H 12 , (3) the 1,7-C 2 B 10 H 12 that is formed does not re-form 1,2-C 2 B 10 H 12 at a detectable rate, and (4) at temperatures at which 1,2-C 2 B 10 H 12 forms 1,7-C 2 B 10 H 12 at a significant rate, the latter undergoes no further rearrangements. The movement of 10 B at 350 degree C in 1,2-C 2 B 10 H 12 is compared to the movement predicted by various isomerization mechanisms. The mechanism that appears to give the closest agreement involves a 12-vertex nido intermediate. It was found that a number of previously considered mechanisms, including simple exchange between two boron sites, triangular face rotation in an icosahedron, diamond-square-diamond twist, and rotation of pentagonal pyramids, are extensions of the nido intermediate mechanism. The synthesis and thermal rearrangement of 3-F-3-( 10 B)-1,2-C 2 n B 9 H 11 demonstrate that independent intramolecular fluorine migration does not occur during rearrangement. 27 refs., 7 figs

  3. Thermal decomposition and isomerization of cis-permethrin and beta-cypermethrin in the solid phase.

    Science.gov (United States)

    González Audino, Paola; Licastro, Susana A; Zerba, Eduardo

    2002-02-01

    The stability to heart of cis-permethrin and beta-cypermethrin in the solid phase was studied and the decomposition products identified. Samples heated at 210 degrees C in an oven in the dark showed that, in the absence of potassium chlorate (the salt present in smoke-generating formulations of these pyrethroids), cis-permethrin was not isomerized, although in the presence of that salt, decomposition was greater and thermal isomerization occurred. Other salts of the type KXO3 or NaXO3, with X being halogen or nitrogen, also led to a considerable thermal isomerization. Heating the insecticides in solution in the presence of potassium chlorate did not produce isomerization in any of the solvents assayed. Salt-catalysed thermal cis-trans isomerization was also found for other pyrethroids derived from permethrinic or deltamethrinic acid but not for those derived from chrysanthemic acid. The main thermal degradation processes of cis-permethrin and beta-cypermethrin decomposition when potassium chlorate was present were cyclopropane isomerization, ester cleavage and subsequent oxidation of the resulting products. Permethrinic acid, 3-phenoxybenzyle chloride, alcohol, aldehyde and acid were identified in both cases, as well as 3-phenoxybenzyl cyanide from beta-cypermethrin. A similar decomposition pattern occurred after combustion of pyrethroid fumigant formulations.

  4. Sugar Profile, Mineral Content, and Rheological and Thermal Properties of an Isomerized Sweet Potato Starch Syrup

    OpenAIRE

    Dominque, Brunson; Gichuhi, Peter N.; Rangari, Vijay; Bovell-Benjamin, Adelia C.

    2013-01-01

    Currently, corn is used to produce more than 85% of the world's high fructose syrup (HFS). There is a search for alternative HFS substrates because of increased food demand and shrinking economies, especially in the developing world. The sweet potato is a feasible, alternative raw material. This study isomerized a high glucose sweet potato starch syrup (SPSS) and determined its sugar profile, mineral content, and rheological and thermal properties. Rheological and thermal properties were meas...

  5. Spectroscopic and Theoretical Identification of Two Thermal Isomerization Pathways for Bistable Chiral Overcrowded Alkenes.

    Science.gov (United States)

    Kistemaker, Jos C M; Pizzolato, Stefano F; van Leeuwen, Thomas; Pijper, Thomas C; Feringa, Ben L

    2016-09-12

    Chiroptical molecular switches play an important role in responsive materials and dynamic molecular systems. Here we present the synthesis of four chiral overcrowded alkenes and the experimental and computational study of their photochemical and thermal behavior. By irradiation with UV light, metastable diastereoisomers with opposite helicity were generated through high yielding E-Z isomerizations. Kinetic studies on metastable 1-4 using CD spectroscopy and HPLC analysis revealed two pathways at higher temperatures for the thermal isomerization, namely a thermal E-Z isomerization (TEZI) and a thermal helix inversion (THI). These processes were also studied computationally whereby a new strategy was developed for calculating the TEZI barrier for second-generation overcrowded alkenes. To demonstrate that these overcrowded alkenes can be employed as bistable switches, photochromic cycling was performed, which showed that the alkenes display good selectivity and fatigue resistance over multiple irradiation cycles. In particular, switch 3 displayed the best performance in forward and backward photoswitching, while 1 excelled in thermal stability of the photogenerated metastable form. Overall, the alkenes studied showed a remarkable and unprecedented combination of switching properties including dynamic helicity, reversibility, selectivity, fatigue resistance, and thermal stability. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Thermal isomerization of azobenzenes: on the performance of Eyring transition state theory

    Science.gov (United States)

    Rietze, Clemens; Titov, Evgenii; Lindner, Steven; Saalfrank, Peter

    2017-08-01

    The thermal Z\\to E (back-)isomerization of azobenzenes is a prototypical reaction occurring in molecular switches. It has been studied for decades, yet its kinetics is not fully understood. In this paper, quantum chemical calculations are performed to model the kinetics of an experimental benchmark system, where a modified azobenzene (AzoBiPyB) is embedded in a metal-organic framework (MOF). The molecule can be switched thermally from cis to trans, under solvent-free conditions. We critically test the validity of Eyring transition state theory for this reaction. As previously found for other azobenzenes (albeit in solution), good agreement between theory and experiment emerges for activation energies and activation free energies, already at a comparatively simple level of theory, B3LYP/6-31G* including dispersion corrections. However, theoretical Arrhenius prefactors and activation entropies are in qualitiative disagreement with experiment. Several factors are discussed that may have an influence on activation entropies, among them dynamical and geometric constraints (imposed by the MOF). For a simpler model—Z\\to E isomerization in azobenzene—a systematic test of quantum chemical methods from both density functional theory and wavefunction theory is carried out in the context of Eyring theory. Also, the effect of anharmonicities on activation entropies is discussed for this model system. Our work highlights capabilities and shortcomings of Eyring transition state theory and quantum chemical methods, when applied for the Z\\to E (back-)isomerization of azobenzenes under solvent-free conditions.

  7. Yields and isomeric ratio of xenon and krypton isotopes from thermal neutron fission of 235U

    International Nuclear Information System (INIS)

    Hsu, S.S.; Lin, J.T.; Yang, C.M.; Yu, Y.W.

    1981-01-01

    The experimental cumulative yields of 85 Kr/sup m/, 87 Kr, 88 Kr, 133 Xe/sup g/, 135 Xe/sup m/, and 135 Xe/sup g/ and the independent isomeric yield of 133 Xe/sup m/ in the thermal neutron fission of 235 U have been measured by the gas chromatographic method. The independent yields of 133 Xe/sup g/, 135 Xe/sup m/, and 135 Xe/sup g/ were deduced with the aid of 133 I and 135 I data. The isomeric yield ratios of 133 Xe and 135 Xe have been computed and compared with theoretical values since they have the same high spin state J = 11/2 - and low spin ground state J = 3/2 + . The influence of the shell effect on the fission isomeric yield ratio is discussed. From the measured independent yield of Xe isotopes plus the reported data, the Xe-isotopic distribution curve has been constructed. The curve is compared with the isotopic distribution curves of Xe isotopes formed in 11.5 GeV proton interactions with 238 U and Cs isotopes formed in 24 GeV proton interactions with 238 U. Upon fitting the yield curves we find that only those products with N/Z> or =1.48 fit a curve typical of a binary fission process

  8. Schiff base switch II precedes the retinal thermal isomerization in the photocycle of bacteriorhodopsin.

    Directory of Open Access Journals (Sweden)

    Ting Wang

    Full Text Available In bacteriorhodopsin, the order of molecular events that control the cytoplasmic or extracellular accessibility of the Schiff bases (SB are not well understood. We use molecular dynamics simulations to study a process involved in the second accessibility switch of SB that occurs after its reprotonation in the N intermediate of the photocycle. We find that once protonated, the SB C15 = NZ bond switches from a cytoplasmic facing (13-cis, 15-anti configuration to an extracellular facing (13-cis, 15-syn configuration on the pico to nanosecond timescale. Significantly, rotation about the retinal's C13 = C14 double bond is not observed. The dynamics of the isomeric state transitions of the protonated SB are strongly influenced by the surrounding charges and dielectric effects of other buried ions, particularly D96 and D212. Our simulations indicate that the thermal isomerization of retinal from 13-cis back to all-trans likely occurs independently from and after the SB C15 = NZ rotation in the N-to-O transition.

  9. Thermal decay of rhodopsin: role of hydrogen bonds in thermal isomerization of 11-cis retinal in the binding site and hydrolysis of protonated Schiff base.

    Science.gov (United States)

    Liu, Jian; Liu, Monica Yun; Nguyen, Jennifer B; Bhagat, Aditi; Mooney, Victoria; Yan, Elsa C Y

    2009-07-01

    Although thermal stability of the G protein-coupled receptor rhodopsin is directly related to its extremely low dark noise level and has recently generated considerable interest, the chemistry behind the thermal decay process of rhodopsin has remained unclear. Using UV-vis spectroscopy and HPLC analysis, we have demonstrated that the thermal decay of rhodopsin involves both hydrolysis of the protonated Schiff base and thermal isomerization of 11-cis to all-trans retinal. Examining the unfolding of rhodopsin by circular dichroism spectroscopy and measuring the rate of thermal isomerization of 11-cis retinal in solution, we conclude that the observed thermal isomerization of 11-cis to all-trans retinal happens when 11-cis retinal is in the binding pocket of rhodopsin. Furthermore, we demonstrate that solvent deuterium isotope effects are involved in the thermal decay process by decreasing the rates of thermal isomerization and hydrolysis, suggesting that the rate-determining step of these processes involves breaking hydrogen bonds. These results provide insight into understanding the critical role of an extensive hydrogen-bonding network on stabilizing the inactive state of rhodopsin and contribute to our current understanding of the low dark noise level of rhodopsin, which enables this specialized protein to function as an extremely sensitive biological light detector. Because similar hydrogen-bonding networks have also been suggested by structural analysis of two other GPCRs, beta1 and beta2 adrenergic receptors, our results could reveal a general role of hydrogen bonds in facilitating GPCR function.

  10. Sugar Profile, Mineral Content, and Rheological and Thermal Properties of an Isomerized Sweet Potato Starch Syrup.

    Science.gov (United States)

    Dominque, Brunson; Gichuhi, Peter N; Rangari, Vijay; Bovell-Benjamin, Adelia C

    2013-01-01

    Currently, corn is used to produce more than 85% of the world's high fructose syrup (HFS). There is a search for alternative HFS substrates because of increased food demand and shrinking economies, especially in the developing world. The sweet potato is a feasible, alternative raw material. This study isomerized a high glucose sweet potato starch syrup (SPSS) and determined its sugar profile, mineral content, and rheological and thermal properties. Rheological and thermal properties were measured using a rheometer and DSC, respectively. Sweet potato starch was hydrolyzed to syrup with a mean fructose content of 7.6 ± 0.4%. The SPSS had significantly higher (P syrups. During 70 days of storage, the SPSS acted as a non-Newtonian, shear-thinning liquid in which the viscosity decreased as shear stress increased. Water loss temperature of the SPSS continually decreased during storage, while pancake and ginger syrups' peak water loss temperature decreased initially and then increased. Further and more detailed studies should be designed to further enhance the fructose content of the syrup and observe its stability beyond 70 days. The SPSS has the potential to be used in human food systems in space and on Earth.

  11. Sugar Profile, Mineral Content, and Rheological and Thermal Properties of an Isomerized Sweet Potato Starch Syrup

    Directory of Open Access Journals (Sweden)

    Brunson Dominque

    2013-01-01

    Full Text Available Currently, corn is used to produce more than 85% of the world’s high fructose syrup (HFS. There is a search for alternative HFS substrates because of increased food demand and shrinking economies, especially in the developing world. The sweet potato is a feasible, alternative raw material. This study isomerized a high glucose sweet potato starch syrup (SPSS and determined its sugar profile, mineral content, and rheological and thermal properties. Rheological and thermal properties were measured using a rheometer and DSC, respectively. Sweet potato starch was hydrolyzed to syrup with a mean fructose content of 7.6±0.4%. The SPSS had significantly higher (P<0.05 mineral content when compared to commercial ginger and pancake syrups. During 70 days of storage, the SPSS acted as a non-Newtonian, shear-thinning liquid in which the viscosity decreased as shear stress increased. Water loss temperature of the SPSS continually decreased during storage, while pancake and ginger syrups’ peak water loss temperature decreased initially and then increased. Further and more detailed studies should be designed to further enhance the fructose content of the syrup and observe its stability beyond 70 days. The SPSS has the potential to be used in human food systems in space and on Earth.

  12. The thermal Z-isomerization-induced change in solubility and physical properties of (all-E)-lycopene.

    Science.gov (United States)

    Murakami, Kazuya; Honda, Masaki; Takemura, Ryota; Fukaya, Tetsuya; Kubota, Mitsuhiro; Wahyudiono; Kanda, Hideki; Goto, Motonobu

    2017-09-16

    The effect of Z-isomerization of (all-E)-lycopene on its solubility in organic solvents and physical properties was investigated. Lycopene samples containing different Z-isomer contents (23.8%, 46.9%, and 75.6% of total lycopene) were prepared from high-purity (all-E)-lycopene by thermal Z-isomerization in dichloromethane (CH 2 Cl 2 ). As the Z-isomer content increased, the relative solubility of lycopene significantly improved. Although (all-E)-lycopene barely dissolved in ethanol (0.6 mg/L), the solubilities of lycopene containing 23.8%, 46.9%, and 75.6% Z-isomers were 484.5, 914.7, and 2401.7 mg/L, respectively. Furthermore, differential scanning calorimetry (DSC), powder X-ray diffraction (XRD), and scanning electron microscopy (SEM) analyses clearly indicated that (all-E)-lycopene was present in the crystal state, while Z-isomers of lycopene were present in amorphous states. A number of studies have suggested that Z-isomers of lycopene are better absorbed in the human body than the all-E-isomer. This may be due to the change in solubility and physical properties of lycopene by the Z-isomerization. Copyright © 2017 Elsevier Inc. All rights reserved.

  13. Thermal gravitational waves in accelerating universe

    Directory of Open Access Journals (Sweden)

    B Ghayour

    2013-10-01

    Full Text Available Gravitational waves are considered in thermal vacuum state. The amplitude and spectral energy density of gravitational waves are found enhanced in thermal vacuum state compared to its zero temperature counterpart. Therefore, the allowed amount of enhancement depends on the upper bound of WMAP-5 and WMAP-7 for the amplitude and spectral energy density of gravitational waves. The enhancement of amplitude and spectral energy density of the waves in thermal vacuum state is consistent with current accelerating phase of the universe. The enhancement feature of amplitude and spectral energy density of the waves is independent of the expansion model of the universe and hence the thermal effect accounts for it. Therefore, existence of thermal gravitational waves is not ruled out

  14. Evolution of supernova remnants. III. Thermal waves

    International Nuclear Information System (INIS)

    Chevalier, R.A.

    1975-01-01

    The effect of heat conduction on the evolution of supernova remnants is investigated. A thermal wave, or electron conduction front, can travel more rapidly than a shock wave during the first thousand years of the remnant's evolution. A self-similar solution describing this phase has been found by Barenblatt. Numerical computations verify the solution and give the evolution past the thermal wave phase. While shell formation is not impeded, the interior density and temperature profiles are smoothed by the action of conduction

  15. Xylene isomerization

    KAUST Repository

    Bilaus, Rakan Sulaiman; Pinnau, Ingo

    2016-01-01

    at isomenzation conditions and producing an isomerized product comprising a higher proportion of p-xylene than in the feed mixture, wherein the catalyst comprises an acidic sulfonated catalytic membrane. Xylene isomenzation can also be coupled with a p

  16. Study on thermal wave based on the thermal mass theory

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    The conservation equations for heat conduction are established based on the concept of thermal mass.We obtain a general heat conduction law which takes into account the spatial and temporal inertia of thermal mass.The general law introduces a damped thermal wave equation.It reduces to the well-known CV model when the spatial inertia of heat flux and temperature and the temporal inertia of temperature are neglected,which indicates that the CV model only considers the temporal inertia of heat flux.Numerical simulations on the propagation and superposition of thermal waves show that for small thermal perturbation the CV model agrees with the thermal wave equation based on the thermal mass theory.For larger thermal perturbation,however,the physically impossible phenomenon pre-dicted by CV model,i.e.the negative temperature induced by the thermal wave superposition,is eliminated by the general heat conduction law,which demonstrates that the present heat conduction law based on the thermal mass theory is more reasonable.

  17. Study on thermal wave based on the thermal mass theory

    Institute of Scientific and Technical Information of China (English)

    HU RuiFeng; CAO BingYang

    2009-01-01

    The conservation equations for heat conduction are established based on the concept of thermal mass. We obtain a general heat conduction law which takes into account the spatial and temporal inertia of thermal mass. The general law introduces a damped thermal wave equation. It reduces to the well-known CV model when the spatial inertia of heat flux and temperature and the temporal inertia of temperature are neglected, which indicates that the CV model only considers the temporal inertia of heat flux. Numerical simulations on the propagation and superposition of thermal waves show that for small thermal perturbation the CV model agrees with the thermal wave equation based on the thermal mass theory. For larger thermal perturbation, however, the physically impossible phenomenon pre-dicted by CV model, i.e. the negative temperature induced by the thermal wave superposition, is eliminated by the general heat conduction law, which demonstrates that the present heat conduction law based on the thermal mass theory is more reasonable.

  18. Thermal Neutron Capture and Thermal Neutron Burn-up of K isomeric state of 177mLu: a way to the Neutron Super-Elastic Scattering cross section

    International Nuclear Information System (INIS)

    Roig, O.; Belier, G.; Meot, V.; Daugas, J.-M.; Romain, P.; Aupiais, J.; Jutier, Ch.; Le Petit, G.; Letourneau, A.; Marie, F.; Veyssiere, Ch.

    2006-01-01

    Thermal neutron radiative capture and burn-up measurements of the K isomeric state in 177Lu form part of an original method to indirectly obtain the neutron super-elastic scattering cross section at thermal energy. Neutron super-elastic scattering, also called neutron inelastic acceleration, occurs during the neutron collisions with an excited nuclear level. In this reaction, the nucleus could partly transfer its excitation energy to the scattered neutron

  19. Xylene isomerization

    KAUST Repository

    Bilaus, Rakan Sulaiman

    2016-06-23

    A process for producing xylenes, in particular para-xylene that is less energy intensive than conventional processes is provided. In an embodiment the process comprises contacting a feed mixture in an isomenzation zone with a catalyst at isomenzation conditions and producing an isomerized product comprising a higher proportion of p-xylene than in the feed mixture, wherein the catalyst comprises an acidic sulfonated catalytic membrane. Xylene isomenzation can also be coupled with a p-xylene extraction process, where the raffinate (p-xylene deprived stream) from the extraction process is fed to an isomenzation reactor to produce p-xylene. In an embodiment, the process can comprise: a) providing a feed stream comprising a mixture of xylene isomers including p-xylene; b) extracting p-xylene from the feed stream using a separator to separate the feed stream into a p-xylene rich stream and a p-xylene deprived stream; and c) delivering the p-xylene deprived stream to an isomenzation unit, the isomenzation unit including an acidic sulfonated catalytic membrane, and using the isomenzation unit to produce an isomerized product comprising a higher proportion of p-xylene than in the p-xylene deprived stream delivered to the isomenzation unit. In any one or more aspects, the isomenzation unit can be operated at a temperature in the range of less than 350°, for example about 20°C to about 200°C.

  20. Thermal solid-state Z/E isomerization of 2-alkylidene-4-oxothiazolidines: effects of non-covalent interactions

    Directory of Open Access Journals (Sweden)

    ZDRAVKO DŽAMBASKI

    2011-03-01

    Full Text Available Configurational isomerization of stereo-defined 5-substituted and unsubstituted 2-alkylidene-4-oxothiazolidines (1 in the solid state, giving the Z/E mixtures in various ratios, was investigated by 1H-NMR spectroscopy, X-ray powder crystallography and differential scanning calorimetry (DSC. The Z/E composition can be rationalized in terms of non-covalent interactions, involving intermolecular and intramolecular hydrogen bonding and directional non-bonded 1,5-type S×××O interactions. X-Ray powder crystallography, using selected crystalline (Z-4-oxothiazolidine substrates, revealed transformation to the amorphous state during the irreversible Z®E process. A correlation between previous results on the Z/E isomerization in solution and now in the solid state was established.

  1. Thermally and vibrationally induced conformational isomerizations, infrared spectra, and photochemistry of gallic acid in low-temperature matrices

    Science.gov (United States)

    Justino, Licínia L. G.; Reva, Igor; Fausto, Rui

    2016-07-01

    Near-infrared (near-IR) narrowband selective vibrational excitation and annealing of gallic acid (3,4,5-trihydroxybenzoic acid) isolated in cryogenic matrices were used to induce interconversions between its most stable conformers. The isomerizations were probed by infrared spectroscopy. An extensive set of quantum chemical calculations, carried out at the DFT(B3LYP)/6-311++G(d,p) level of approximation, was used to undertake a detailed analysis of the ground state potential energy surface of the molecule. This investigation of the molecule conformational space allowed extracting mechanistic insights into the observed annealing- or near-IR-induced isomerization processes. The infrared spectra of the two most stable conformers of gallic acid in N2, Xe, and Ar matrices were fully assigned. Finally, the UV-induced photochemistry of the matrix isolated compound was investigated.

  2. Thermally and vibrationally induced conformational isomerizations, infrared spectra, and photochemistry of gallic acid in low-temperature matrices

    International Nuclear Information System (INIS)

    Justino, Licínia L. G.; Reva, Igor; Fausto, Rui

    2016-01-01

    Near-infrared (near-IR) narrowband selective vibrational excitation and annealing of gallic acid (3,4,5-trihydroxybenzoic acid) isolated in cryogenic matrices were used to induce interconversions between its most stable conformers. The isomerizations were probed by infrared spectroscopy. An extensive set of quantum chemical calculations, carried out at the DFT(B3LYP)/6-311++G(d,p) level of approximation, was used to undertake a detailed analysis of the ground state potential energy surface of the molecule. This investigation of the molecule conformational space allowed extracting mechanistic insights into the observed annealing- or near-IR-induced isomerization processes. The infrared spectra of the two most stable conformers of gallic acid in N 2 , Xe, and Ar matrices were fully assigned. Finally, the UV-induced photochemistry of the matrix isolated compound was investigated.

  3. Thermally and vibrationally induced conformational isomerizations, infrared spectra, and photochemistry of gallic acid in low-temperature matrices

    Energy Technology Data Exchange (ETDEWEB)

    Justino, Licínia L. G., E-mail: liciniaj@ci.uc.pt; Reva, Igor; Fausto, Rui [CQC, Department of Chemistry, University of Coimbra, 3004-535 Coimbra (Portugal)

    2016-07-07

    Near-infrared (near-IR) narrowband selective vibrational excitation and annealing of gallic acid (3,4,5-trihydroxybenzoic acid) isolated in cryogenic matrices were used to induce interconversions between its most stable conformers. The isomerizations were probed by infrared spectroscopy. An extensive set of quantum chemical calculations, carried out at the DFT(B3LYP)/6-311++G(d,p) level of approximation, was used to undertake a detailed analysis of the ground state potential energy surface of the molecule. This investigation of the molecule conformational space allowed extracting mechanistic insights into the observed annealing- or near-IR-induced isomerization processes. The infrared spectra of the two most stable conformers of gallic acid in N{sub 2}, Xe, and Ar matrices were fully assigned. Finally, the UV-induced photochemistry of the matrix isolated compound was investigated.

  4. The impact of thermal wave characteristics on thermal dose distribution during thermal therapy: A numerical study

    International Nuclear Information System (INIS)

    Shih, T.-C.; Kou, H.-S.; Liauh, C.-T.; Lin, W.-L.

    2005-01-01

    The aim of this study was to investigate the effects of the propagation speed of a thermal wave in terms of the thermal relaxation time on the temperature/thermal dose distributions in living tissue during thermal therapies. The temperature field in tissue was solved by the finite difference method, and the thermal dose was calculated from the formulation proposed by Sapareto and Dewey [Int. J. Radiat. Oncol. Biol. Phys. 10, 787-800 (1984)]. Under the same total deposited energy, for a rapid heating process the time lagging behavior of the peak temperature became pronounced and the level of the peak temperature was decreased with increasing the thermal relaxation time. When the heating duration was longer than the thermal relaxation time of tissues, there was no significant difference between the thermal dose distributions with/without considering the effect of the thermal relaxation time. In other words, when the heating duration is comparable to or shorter than the thermal relaxation time of tissue, the results of the wave bioheat transfer equation (WBHTE) are fully different from that of the Pennes' bioheat transfer equation (PBHTE). Besides, for a rapid heating process the dimension of thermal lesion was still significantly affected by perfusion, because this is what is predicted by the WBHTE but not by the PBHTE, i.e., the wave feature of the temperature field cannot fully be predicted by the PBHTE

  5. Thermal isomerizations of ketenimines to nitriles: evaluations of sigma-Dot (sigma(*)) constants for spin-delocalizations

    Science.gov (United States)

    Kim; Zhu; Lee

    2000-05-19

    Rate constants (k(Y)) of the isomerizations of 11 diphenyl N-(substituted benzyl) ketenimines were measured at 40, 50, 60, and 70 degrees C. Activation parameters DeltaH()(Y) and DeltaS()(Y) were obtained using the Eyring equation. The relative rates (k(Y)/k(H)) were fitted into Hammett single correlations (log k(Y)/k(H) = rhosigma and log k(Y)/k(H) = rho(*)sigma(*)). The single correlations have been compared with Hammett dual correlations (log k(Y)/k(H) = rhosigma + rho(*)sigma(*) ). Separate treatments of para and meta substituents yielded even better correlations. Para substituents control the rates through spin-delocalizations and inductive effects. The former outweighs the latter when the latter exerts a modest but distinct influence on the rates. On the other hand, inductive effects are the "major" or the sole interactions triggered by meta substituents.

  6. Solitary wave and periodic wave solutions for the thermally forced gravity waves in atmosphere

    International Nuclear Information System (INIS)

    Li Ziliang

    2008-01-01

    By introducing a new transformation, a new direct and unified algebraic method for constructing multiple travelling wave solutions of general nonlinear evolution equations is presented and implemented in a computer algebraic system, which extends Fan's direct algebraic method to the case when r > 4. The solutions of a first-order nonlinear ordinary differential equation with a higher degree nonlinear term and Fan's direct algebraic method of obtaining exact solutions to nonlinear partial differential equations are applied to the combined KdV-mKdV-GKdV equation, which is derived from a simple incompressible non-hydrostatic Boussinesq equation with the influence of thermal forcing and is applied to investigate internal gravity waves in the atmosphere. As a result, by taking advantage of the new first-order nonlinear ordinary differential equation with a fifth-degree nonlinear term and an eighth-degree nonlinear term, periodic wave solutions associated with the Jacobin elliptic function and the bell and kink profile solitary wave solutions are obtained under the effect of thermal forcing. Most importantly, the mechanism of propagation and generation of the periodic waves and the solitary waves is analysed in detail according to the values of the heating parameter, which show that the effect of heating in atmosphere helps to excite westerly or easterly propagating periodic internal gravity waves and internal solitary waves in atmosphere, which are affected by the local excitation structures in atmosphere. In addition, as an illustrative sample, the properties of the solitary wave solution and Jacobin periodic solution are shown by some figures under the consideration of heating interaction

  7. Fluctuation and thermal energy balance for drift-wave turbulence

    International Nuclear Information System (INIS)

    Kim, Chang-Bae; Horton, W.

    1990-05-01

    Energy conservation for the drift-wave system is shown to be separated into the wave-energy power balance equation and an ambient thermal-energy transport equation containing the anomalous transport fluxes produced by the fluctuations. The wave energy equation relates the wave energy density and wave energy flux to the anomalous transport flux and the dissipation of the fluctuations. The thermal balance equation determines the evolution of the temperature profiles from the divergence of the anomalous heat flux, the collisional heating and cooling mechanisms and the toroidal pumping effect. 16 refs., 1 tab

  8. Fluctuation and thermal energy balance for drift-wave turbulence

    International Nuclear Information System (INIS)

    Changbae Kim; Horton, W.

    1991-01-01

    Energy conservation for the drift-wave system is shown to be separated into the wave-energy power balance equation and an ambient thermal-energy transport equation containing the anomalous transport fluxes produced by the fluctuations. The wave energy equation relates the wave energy density and wave energy flux to the anomalous transport flux and the dissipation of the fluctuations. The thermal balance equation determines the evolution of the temperature profiles from the divergence of the anomalous heat flux, the collisional heating and cooling mechanisms and the toroidal pumping effect. (author)

  9. Reactive thermal waves in energetic materials

    Energy Technology Data Exchange (ETDEWEB)

    Hill, Larry G [Los Alamos National Laboratory

    2009-01-01

    Reactive thermal waves (RTWs) arise in several energetic material applications, including self-propagating high-temperature synthesis (SHS), high explosive cookoff, and the detonation of heterogeneous explosives. In this paper I exmaine ideal RTWs, by which I mean that (1) material motion is neglected, (2) the state dependence of reaction is Arrhenius in the temperature, and (3) the reaction rate is modulated by an arbitrary mass-fraction-based reaction progress function. Numerical simulations demonstrate that one's natural intuition, which is based mainly upon experience with inert materials and which leads one to expect diffusion processes to become relatively slow after a short time period, is invalid for high energy, state-sensitive reactive systems. Instead, theory predicts that RTWs can propagate at very high speeds. This result agrees with estimates for detonating heterogeneous explosives, which indicate that RTWs must spread from hot-spot nucleation sites at rates comparable to the detonation speed in order to produce experimentally-observed reaction zone thicknesses. Using dimensionless scaling and further invoking the high activation energy approximation, I obtain an analytic formula for the steady plane RTW speed from numerical calculations. I then compute the RTW speed for real explosives, and discuss aspects of their behavior.

  10. Thermal noise from optical coatings in gravitational wave detectors.

    Science.gov (United States)

    Harry, Gregory M; Armandula, Helena; Black, Eric; Crooks, D R M; Cagnoli, Gianpietro; Hough, Jim; Murray, Peter; Reid, Stuart; Rowan, Sheila; Sneddon, Peter; Fejer, Martin M; Route, Roger; Penn, Steven D

    2006-03-01

    Gravitational waves are a prediction of Einstein's general theory of relativity. These waves are created by massive objects, like neutron stars or black holes, oscillating at speeds appreciable to the speed of light. The detectable effect on the Earth of these waves is extremely small, however, creating strains of the order of 10(-21). There are a number of basic physics experiments around the world designed to detect these waves by using interferometers with very long arms, up to 4 km in length. The next-generation interferometers are currently being designed, and the thermal noise in the mirrors will set the sensitivity over much of the usable bandwidth. Thermal noise arising from mechanical loss in the optical coatings put on the mirrors will be a significant source of noise. Achieving higher sensitivity through lower mechanical loss coatings, while preserving the crucial optical and thermal properties, is an area of active research right now.

  11. Lamb Wave Assessment of Fatigue and Thermal Damage in Composites

    Science.gov (United States)

    Seale, Michael D.; Smith, Barry T.; Prosser, W. H.

    2004-01-01

    Among the various techniques available, ultrasonic Lamb waves offer a convenient method of evaluating composite materials. Since the Lamb wave velocity depends on the elastic properties of a structure, an effective tool exists to monitor damage in composites by measuring the velocity of these waves. Lamb wave measurements can propagate over long distances and are sensitive to the desired in-plane elastic properties of the material. This paper describes two studies which monitor fatigue damage and two studies which monitor thermal damage in composites using Lamb waves. In the fatigue studies, the Lamb wave velocity is compared to modulus measurements obtained using strain gage measurements in the first experiment and the velocity is monitored along with the crack density in the second. In the thermal damage studies, one examines samples which were exposed to varying temperatures for a three minute duration and the second includes rapid thermal damage in composites by intense laser beams. In all studies, the Lamb wave velocity is demonstrated to be an excellent method to monitor damage in composites.

  12. Using lamb waves tomonitor moisture absorption thermally fatigues composite laminates

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Jae Sun; Cho, Youn Ho [School of Mechanical Engineering, Pusan National University, Busan (Korea, Republic of)

    2016-06-15

    Nondestructive evaluation for material health monitoring is important in aerospace industries. Composite laminates are exposed to heat cyclic loading and humid environment depending on flight conditions. Cyclic heat loading and moisture absorption may lead to material degradation such as matrix breaking, debonding, and delamination. In this paper, the moisture absorption ratio was investigated by measuring the Lamb wave velocity. The composite laminates were manufactured and subjected to different thermal aging cycles and moisture absorption. For various conditions of these cycles, not only changes in weight and also ultrasonic wave velocity were measured, and the Lamb wave velocity at various levels of moisture on a carbon-epoxy plate was investigated. Results from the experiment show a linear correlation between moisture absorption ratio and Lamb wave velocity at different thermal fatigue stages. The presented method can be applied as an alternative solution in the online monitoring of composite laminate moisture levels in commercial flights.

  13. Microwave discharge electrodeless lamps (MDEL). Part VII. Photo-isomerization of trans-urocanic acid in aqueous media driven by UV light from a novel Hg-free Dewar-like microwave discharge thermally-insulated electrodeless lamp (MDTIEL). Performance evaluation.

    Science.gov (United States)

    Horikoshi, Satoshi; Sato, Tatsuro; Sakamoto, Kazutami; Abe, Masahiko; Serpone, Nick

    2011-07-01

    A novel mercury-free Dewar-like (double-walled structure) microwave discharge thermally-insulated electrodeless lamp (MDTIEL) was fabricated and its performance evaluated using the photo-isomerization of trans-urocanic acid (trans-UA) in aqueous media as a test process driven by the emitted UV light when ignited with microwave radiation. The photo-isomerization processes trans-UA → cis-UA and cis-UA → trans-UA were re-visited using light emitted from a conventional high-pressure Hg light source and examined for the influence of UV light irradiance and solution temperature; the temperature dependence of the trans → cis process displayed a negative activation energy, E(a) = -1.3 cal mol(-1). To control the photo-isomerization of urocanic acid from the heat usually dissipated by a microwave discharge electrodeless lamp (single-walled MDEL), it was necessary to suppress the microwave-initiated heat. For comparison, the gas-fill in the MDEL lamp, which typically consists of a mixture of Hg and Ar, was changed to the more eco-friendly N(2) gas in the novel MDTIEL device. The dynamics of the photo-isomerization of urocanic acid driven by the UV wavelengths of the N(2)-MDTIEL light source were compared to those from the more conventional single-walled N(2)-MDEL and Hg/Ar-MDEL light sources, and with those from the Hg lamp used to irradiate, via a fiber optic, the photoreactor located in the wave-guide of the microwave apparatus. The heating efficiency of a solution with the double-walled N(2)-MDTIEL was compared to the efficiency from the single-walled N(2)-MDEL device. Advantages of N(2)-MDTIEL are described from a comparison of the dynamics of the trans-UA → cis-UA process on the basis of unit surface area of the lamp and unit power consumption. The considerably lower temperature on the external surface of the N(2)-MDTIEL light source should make it attractive in carrying out photochemical reactions that may be heat-sensitive such as the photothermochromic

  14. Periodic heat wave determination of thermal diffusivity of clays ...

    African Journals Online (AJOL)

    The responses of Ankaful, Tetegu (# 1 & 2) and Mamfe clays to periodic heat waves were analyzed to deter-mine the thermal diffusivity values. The temperature amplitude attenuated with depth of penetration, while the phase shift increased. The thermal diffusivity values ranged from 3.0 - 9.5 x 10P-7P mP2P/s by amplitude ...

  15. Thermal noise reduction for present and future gravitational wave detectors

    Energy Technology Data Exchange (ETDEWEB)

    Amico, P.; Bosi, L.; Gammaitoni, L.; Losurdo, G.; Marchesoni, F.; Mazzoni, M.; Punturo, M. E-mail: michele.punturo@pg.infn.it; Stanga, R.; Toncelli, A.; Tonelli, M.; Travasso, F.; Vetrano, F.; Vocca, H

    2004-02-01

    Thermal noise in mirror suspension is and will be the most severe fundamental limit to the low-frequency sensitivity of interferometric gravitational wave detectors currently under construction. The technical solutions, adopted in the Virgo detector, optimize the current suspension scheme, but new materials and new designs are needed to further reduce the suspension thermal noise. Silicon fibers are promising candidates both for room temperature advanced detectors and for future cryogenic interferometric detectors.

  16. Response of thermal ions to electromagnetic ion cyclotron waves

    Science.gov (United States)

    Anderson, B. J.; Fuselier, S. A.

    1994-01-01

    Electromagnetic ion cyclotron waves generated by 10 - 50 keV protons in the Earth's equatorial magnetosphere will interact with the ambient low-energy ions also found in this region. We examine H(+) and He(+) distribution functions from approx. equals 1 to 160 eV using the Hot Plasma Composition Experiment instrument on AMPTE/CCE to investigate the thermal ion response to the waves. A total of 48 intervals were chosen on the basis of electromagnetic ion cyclotron (EMIC) wave activity: 24 with prevalent EMIC waves and 24 with no EMIC waves observed on the orbit. There is a close correlation between EMIC waves and perpendicular heated ion distributions. For protons the perpendicular temperature increase is modest, about 5 eV, and is always observed at 90 deg pitch angles. This is consistent with a nonresonant interaction near the equator. By contrast, He(+) temperatures during EMIC wave events averaged 35 eV and sometimes exceeded 100 eV, indicating stronger interaction with the waves. Furthermore, heated He(+) ions have X-type distributions with maximum fluxes occurring at pitch angles intermediate between field-aligned and perpendicular directions. The X-type He(+) distributions are consistent with a gyroresonant interaction off the equator. The concentration of He(+) relative to H(+) is found to correlate with EMIC wave activity, but it is suggested that the preferential heating of He(+) accounts for the apparent increase in relative He(+) concentration by increasing the proportion of He(+) detected by the ion instrument.

  17. A new fundamental type of conformational isomerism

    Science.gov (United States)

    Canfield, Peter J.; Blake, Iain M.; Cai, Zheng-Li; Luck, Ian J.; Krausz, Elmars; Kobayashi, Rika; Reimers, Jeffrey R.; Crossley, Maxwell J.

    2018-06-01

    Isomerism is a fundamental chemical concept, reflecting the fact that the arrangement of atoms in a molecular entity has a profound influence on its chemical and physical properties. Here we describe a previously unclassified fundamental form of conformational isomerism through four resolved stereoisomers of a transoid (BF)O(BF)-quinoxalinoporphyrin. These comprise two pairs of enantiomers that manifest structural relationships not describable within existing IUPAC nomenclature and terminology. They undergo thermal diastereomeric interconversion over a barrier of 104 ± 2 kJ mol-1, which we term `akamptisomerization'. Feasible interconversion processes between conceivable synthesis products and reaction intermediates were mapped out by density functional theory calculations, identifying bond-angle inversion (BAI) at a singly bonded atom as the reaction mechanism. We also introduce the necessary BAI stereodescriptors parvo and amplo. Based on an extended polytope formalism of molecular structure and stereoisomerization, BAI-driven akamptisomerization is shown to be the final fundamental type of conformational isomerization.

  18. Measurement of through-thickness thermal diffusivity of thermoplastics using thermal wave method

    Science.gov (United States)

    Singh, R.; Mellinger, A.

    2015-04-01

    Thermo-physical properties, such as thermal conductivity, thermal diffusivity and specific heat are important quantities that are needed to interpret and characterize thermoplastic materials. Such characterization is necessary for many applications, ranging from aerospace engineering to food packaging, electrical and electronic industry and medical science. In this work, the thermal diffusivity of commercially available polymeric films is measured in the thickness direction at room temperature using thermal wave method. The results obtained with this method are in good agreement with theoretical and experimental values.

  19. Quantitative subsurface analysis using frequency modulated thermal wave imaging

    Science.gov (United States)

    Subhani, S. K.; Suresh, B.; Ghali, V. S.

    2018-01-01

    Quantitative depth analysis of the anomaly with an enhanced depth resolution is a challenging task towards the estimation of depth of the subsurface anomaly using thermography. Frequency modulated thermal wave imaging introduced earlier provides a complete depth scanning of the object by stimulating it with a suitable band of frequencies and further analyzing the subsequent thermal response using a suitable post processing approach to resolve subsurface details. But conventional Fourier transform based methods used for post processing unscramble the frequencies with a limited frequency resolution and contribute for a finite depth resolution. Spectral zooming provided by chirp z transform facilitates enhanced frequency resolution which can further improves the depth resolution to axially explore finest subsurface features. Quantitative depth analysis with this augmented depth resolution is proposed to provide a closest estimate to the actual depth of subsurface anomaly. This manuscript experimentally validates this enhanced depth resolution using non stationary thermal wave imaging and offers an ever first and unique solution for quantitative depth estimation in frequency modulated thermal wave imaging.

  20. Thermal Cracking in Westerly Granite Monitored Using Direct Wave Velocity, Coda Wave Interferometry, and Acoustic Emissions

    Science.gov (United States)

    Griffiths, L.; Lengliné, O.; Heap, M. J.; Baud, P.; Schmittbuhl, J.

    2018-03-01

    To monitor both the permanent (thermal microcracking) and the nonpermanent (thermo-elastic) effects of temperature on Westerly Granite, we combine acoustic emission monitoring and ultrasonic velocity measurements at ambient pressure during three heating and cooling cycles to a maximum temperature of 450°C. For the velocity measurements we use both P wave direct traveltime and coda wave interferometry techniques, the latter being more sensitive to changes in S wave velocity. During the first cycle, we observe a high acoustic emission rate and large—and mostly permanent—apparent reductions in velocity with temperature (P wave velocity is reduced by 50% of the initial value at 450°C, and 40% upon cooling). Our measurements are indicative of extensive thermal microcracking during the first cycle, predominantly during the heating phase. During the second cycle we observe further—but reduced—microcracking, and less still during the third cycle, where the apparent decrease in velocity with temperature is near reversible (at 450°C, the P wave velocity is decreased by roughly 10% of the initial velocity). Our results, relevant for thermally dynamic environments such as geothermal reservoirs, highlight the value of performing measurements of rock properties under in situ temperature conditions.

  1. Isomeric Targets and Beams

    International Nuclear Information System (INIS)

    Oganesyan, Yu.Ts.; Karamyan, S.A.

    1994-01-01

    One of the main topics of modern nuclear physics is the investigation of exotic nuclei including hyper-nuclei, trans fermium elements, proton and neutron rich isotopes near drip lines as well as high-spin excited states and states with anomalous deformation. The isomerism of nuclei is closely related with such phenomena as the alignment of single-particle orbitals, the coexistence of various deformations and the manifestation of intruder-levels from neighbouring shells. The investigation of electromagnetic and nuclear interactions of isomers could give important information on their shell structure and its role in the mechanism of nuclear reactions. For such experiments one can either make isomeric targets (sufficiently long-lived) or use the methods of acceleration of isomeric nuclei. Recently, an exotic 16 + four-quasiparticle isomer of 178 Hf m 2 was produced in a micro weight quantity and the first nuclear reactions on it were successfully observed. The talk describes these experiments as well as new ideas for the continuation of the studies and some advantageous ways for the isomeric beams production by the method of direct acceleration or by the secondary beam method. 35 refs., 15 figs., 8 tabs

  2. Overcoming thermal noise in non-volatile spin wave logic

    Science.gov (United States)

    Dutta, Sourav; Nikonov, Dmitri; Manipatruni, Sasikanth; Young, Ian; Naeemi, Azad

    Spin waves are propagating disturbances in magnetically ordered materials. To compete as a promising candidate for beyond-CMOS application, the all-magnon based computing system must undergo the essential steps of careful selection of materials and demonstrate robustness with respect to thermal noise/variability. Here, we identify suitable materials and investigate two viable options for translating the theoretical idea of phase-dependent switching of the spin wave detector to a practical realization of a thermally reliable magnonic device by - (a) using the built-in strain in the ME cell, arising from the lattice mismatch and/or thermal expansion coefficient mismatch between the film and the substrate, for compensation of the demagnetization, and (b) using an exchange-spring structure that exhibits a strong exchange-coupling between the ME cell and PMA SWB and provides a modification of the energy landscape of the ME cell magnet. A high switching success and error-free logic functionality can be ensured if the amplitude of the detected spin wave () remains higher than a threshold value of around 6°C and the detected phase falls within the window from 280°C through 0 to 20°C or from 100°C to 200°C with a maximum allowable ϕ range of around 100°C.

  3. Updated thermal model using simplified short-wave radiosity calculations

    International Nuclear Information System (INIS)

    Smith, J.A.; Goltz, S.M.

    1994-01-01

    An extension to a forest canopy thermal radiance model is described that computes the short-wave energy flux absorbed within the canopy by solving simplified radiosity equations describing flux transfers between canopy ensemble classes partitioned by vegetation layer and leaf slope. Integrated short-wave reflectance and transmittance-factors obtained from measured leaf optical properties were found to be nearly equal for the canopy studied. Short-wave view factor matrices were approximated by combining the average leaf scattering coefficient with the long-wave view factor matrices already incorporated in the model. Both the updated and original models were evaluated for a dense spruce fir forest study site in Central Maine. Canopy short-wave absorption coefficients estimated from detailed Monte Carlo ray tracing calculations were 0.60, 0.04, and 0.03 for the top, middle, and lower canopy layers corresponding to leaf area indices of 4.0, 1.05, and 0.25. The simplified radiosity technique yielded analogous absorption values of 0.55, 0.03, and 0.01. The resulting root mean square error in modeled versus measured canopy temperatures for all layers was less than 1°C with either technique. Maximum error in predicted temperature using the simplified radiosity technique was approximately 2°C during peak solar heating. (author)

  4. Updated thermal model using simplified short-wave radiosity calculations

    Energy Technology Data Exchange (ETDEWEB)

    Smith, J. A.; Goltz, S. M.

    1994-02-15

    An extension to a forest canopy thermal radiance model is described that computes the short-wave energy flux absorbed within the canopy by solving simplified radiosity equations describing flux transfers between canopy ensemble classes partitioned by vegetation layer and leaf slope. Integrated short-wave reflectance and transmittance-factors obtained from measured leaf optical properties were found to be nearly equal for the canopy studied. Short-wave view factor matrices were approximated by combining the average leaf scattering coefficient with the long-wave view factor matrices already incorporated in the model. Both the updated and original models were evaluated for a dense spruce fir forest study site in Central Maine. Canopy short-wave absorption coefficients estimated from detailed Monte Carlo ray tracing calculations were 0.60, 0.04, and 0.03 for the top, middle, and lower canopy layers corresponding to leaf area indices of 4.0, 1.05, and 0.25. The simplified radiosity technique yielded analogous absorption values of 0.55, 0.03, and 0.01. The resulting root mean square error in modeled versus measured canopy temperatures for all layers was less than 1°C with either technique. Maximum error in predicted temperature using the simplified radiosity technique was approximately 2°C during peak solar heating. (author)

  5. Shock wave collisions and thermalization in AdS5

    International Nuclear Information System (INIS)

    Kovchegov, Yuri V.

    2011-01-01

    We study heavy ion collisions at strong 't Hooft coupling using AdS/CFT correspondence. According to the AdS/CFT dictionary heavy ion collisions correspond to gravitational shock wave collisions in AdS 5 . We construct the metric in the forward light cone after the collision perturbatively through expansion of Einstein equations in graviton exchanges. We obtain an analytic expression for the metric including all-order graviton exchanges with one shock wave, while keeping the exchanges with another shock wave at the lowest order. We read off the corresponding energy-momentum tensor of the produced medium. Unfortunately this energy-momentum tensor does not correspond to ideal hydrodynamics, indicating that higher order graviton exchanges are needed to construct the full solution of the problem. We also show that shock waves must completely stop almost immediately after the collision in AdS 5 , which, on the field theory side, corresponds to complete nuclear stopping due to strong coupling effects, likely leading to Landau hydrodynamics. Finally, we perform trapped surface analysis of the shock wave collisions demonstrating that a bulk black hole, corresponding to ideal hydrodynamics on the boundary, has to be created in such collisions, thus constructing a proof of thermalization in heavy ion collisions at strong coupling. (author)

  6. Wave propagation in embedded inhomogeneous nanoscale plates incorporating thermal effects

    Science.gov (United States)

    Ebrahimi, Farzad; Barati, Mohammad Reza; Dabbagh, Ali

    2018-04-01

    In this article, an analytical approach is developed to study the effects of thermal loading on the wave propagation characteristics of an embedded functionally graded (FG) nanoplate based on refined four-variable plate theory. The heat conduction equation is solved to derive the nonlinear temperature distribution across the thickness. Temperature-dependent material properties of nanoplate are graded using Mori-Tanaka model. The nonlocal elasticity theory of Eringen is introduced to consider small-scale effects. The governing equations are derived by the means of Hamilton's principle. Obtained frequencies are validated with those of previously published works. Effects of different parameters such as temperature distribution, foundation parameters, nonlocal parameter, and gradient index on the wave propagation response of size-dependent FG nanoplates have been investigated.

  7. Directional radiative cooling thermal compensation for gravitational wave interferometer mirrors

    Energy Technology Data Exchange (ETDEWEB)

    Justin Kamp, Carl [Department of Chemical Reaction Engineering, Chalmers University of Technology, SE-412 96 Goteborg (Sweden)], E-mail: carl.kamp@chalmers.se; Kawamura, Hinata [Yokoyama Junior High School, Sanda, Hachioji, Tokyo 193-0832 (Japan); Passaquieti, Roberto [Dipartimento di Fisica ' Enrico Fermi' and INFN Sezione di Pisa, Universita' di Pisa, Largo Bruno Pontecorvo, I-56127 Pisa (Italy); DeSalvo, Riccardo [LIGO Observatories, California Institute of Technology, Pasadena, CA 91125 (United States)

    2009-08-21

    The concept of utilizing directional radiative cooling to correct the problem of thermal lensing in the mirrors of the LIGO/VIRGO gravitational wave detectors has been shown and has prospects for future use. Two different designs utilizing this concept, referred to as the baffled and parabolic mirror solutions, have been proposed with different means of controlling the cooling power. The technique takes advantage of the power naturally radiated by the mirror surfaces at room temperature to prevent their heating by the powerful stored laser beams. The baffled solution has been simulated via COMSOL Multiphysics as a design tool. Finally, the parabolic mirror concept was experimentally validated with the results falling in close agreement with theoretical cooling calculations. The technique of directional radiative thermal correction can be reversed to image heat rings on the mirrors periphery to remotely and dynamically correct their radius of curvature without subjecting the mirror to relevant perturbations.

  8. Research on Debonding Defects in Thermal Barrier Coatings Structure by Thermal-Wave Radar Imaging (TWRI)

    Science.gov (United States)

    Wang, Fei; Liu, Junyan; Mohummad, Oliullah; Wang, Yang

    2018-06-01

    In this paper, thermal-wave radar imaging (TWRI) is introduced to detect debonding defects in SiC-coated Ni-based superalloy plates. Linear frequency modulation signal (chirp) is used as the excitation signal which has a large time-bandwidth product. Artificial debonding defects in SiC coating are excited by the laser beam with the light intensity modulated by a chirp signal. Cross-correlation algorithm and chirp lock-in algorithm are introduced to extract the thermal-wave signal characteristic. The comparative experiment between TWRI reflection mode and transmission mode was carried out. Experiments are conducted to investigate the influence of laser power density, chirp period, and excitation frequency. Experimental results illustrate that chirp lock-in phase has a better detection capability than other characteristic parameters. TWRI can effectively detect simulated debonding defects of SiC-coated Ni-based superalloy plates.

  9. Influence of thermal effects induced by nonlinear absorption on four-wave mixing in silicon waveguides

    DEFF Research Database (Denmark)

    Pu, Minhao; Chen, Yaohui; Yvind, Kresten

    2014-01-01

    Influence of thermal effects induced by nonlinear absorption on four-wave mixing in silicon waveguides is investigated. A conversion bandwidth reduction up to 63% is observed in simulation due to the thermal effects.......Influence of thermal effects induced by nonlinear absorption on four-wave mixing in silicon waveguides is investigated. A conversion bandwidth reduction up to 63% is observed in simulation due to the thermal effects....

  10. Quantitative Method to Measure Thermal Conductivity of One-Dimensional Nanostructures Based on Scanning Thermal Wave Microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Park, Kyung Bae; Chung, Jae Hun; Hwang, Gwang Seok; Jung, Eui Han; Kwon, Oh Myoung [Korea University, Seoul (Korea, Republic of)

    2014-12-15

    We present a method to quantitatively measure the thermal conductivity of one-dimensional nanostructures by utilizing scanning thermal wave microscopy (STWM) at a nanoscale spatial resolution. In this paper, we explain the principle for measuring the thermal diffusivity of one-dimensional nanostructures using STWM and the theoretical analysis procedure for quantifying the thermal diffusivity. The SWTM measurement method obtains the thermal conductivity by measuring the thermal diffusivity, which has only a phase lag relative to the distance corresponding to the transferred thermal wave. It is not affected by the thermal contact resistances between the heat source and nanostructure and between the nanostructure and probe. Thus, the heat flux applied to the nanostructure is accurately obtained. The proposed method provides a very simple and quantitative measurement relative to conventional measurement techniques.

  11. Thermal analysis of gyrotron traveling-wave tube collector

    International Nuclear Information System (INIS)

    Zheng Zhiqing; Luo Yong; Jiang Wei; Tang Yong

    2013-01-01

    In order to solve cooling problem of the gyrotron traveling-wave tube(TWT) collector and guarantee the gyrotron TWT's reliability and stability, the electron trajectories in the gyrotron TWT are simulated using CST electron simulation software. Thermal analysis of the collector with finite element software ANSYS is performed. The ways of applying boundary that affects the distribution of collector temperature are compared. The influence of the water temperature and flow rate on collector temperature distribution under actual heat fluxes (boundary condition) is researched. The size and number of collector fins are optimized, and a relatively perfect structure is obtained finally. The result estimated by simulation is consistent with the experiment and proves that the model and method employed in this work are suitable. (authors)

  12. Magnetic fluctuations due to thermally excited Alfven waves

    International Nuclear Information System (INIS)

    Agim, Y.Z.; Prager, S.C.

    1990-01-01

    Magnetic fluctuations due to the thermally excited MHD waves are investigated using fluid and kinetic models to describe a stable, uniform, compressible plasma in the range above the drift wave frequency and below the ion cyclotron frequency. It is shown that the fluid model with resistivity yields spectral densities which are roughly Lorentzian, exhibit equipartition with no apparent cutoff in wavenumber space and a Bohm-type diffusion coefficient. Under certain conditions, the ensuing transport may be comparable to classical values. For a phenomenological cutoff imposed on the spectrum, the typical fluctuating-to-equilibrium magnetic field ratio is found to be of the order of 10 -10 . Physical mechanisms to obtain decay profiles of the spectra with increasing wavenumber due to dispersion and/or different forms of damping are investigated analytically in a cold fluid approximation and numerically, with a kinetic model. The mode dispersion due to the finite ion-gyrofrequency is identified as the leading effect determining the spectral profile shapes. It is found that the amplitude of fluctuations may be within a factor of the value suggested by the cold plasma model. The results from both models are presented and compared in low- and high-β regimes. 21 refs., 6 figs

  13. Thermal effects on parallel-propagating electron cyclotron waves

    International Nuclear Information System (INIS)

    Robinson, P.A.

    1987-01-01

    Thermal effects on the dispersion of right-handed electron cyclotron waves propagating parallel to a uniform, ambient magnetic field are investigated in the strictly non-relativistic ('classical') and weakly relativistic approximations for real frequency and complex wave vector. In each approximation, the two branches of the RH mode reconnect near the cyclotron frequency as the plasma temperature is increased or the density is lowered. This reconnection occurs in a manner different from that previously assumed at parallel propagation and from that at perpendicular propagation, giving rise to a new mode near the cold plasma cut-off frequency ωsub(xC). For both parallel and perpendicular propagation, it is noted that reconnection occurs approximately when the cyclotron linewidth equals the width of the stop-band in the cold plasma dispersion relation. Inclusion of weakly relativistic effects is found to be necessary for quantitative calculations and for an accurate treatment of the new mode near ωsub(xC). Weakly relativistic effects also modify the analytic properties of the dispersion relation so as to introduce a new family of weakly damped and undamped solutions. (author)

  14. Spatial and temporal control of thermal waves by using DMDs for interference based crack detection

    Science.gov (United States)

    Thiel, Erik; Kreutzbruck, Marc; Ziegler, Mathias

    2016-02-01

    Active Thermography is a well-established non-destructive testing method and used to detect cracks, voids or material inhomogeneities. It is based on applying thermal energy to a samples' surface whereas inner defects alter the nonstationary heat flow. Conventional excitation of a sample is hereby done spatially, either planar (e.g. using a lamp) or local (e.g. using a focused laser) and temporally, either pulsed or periodical. In this work we combine a high power laser with a Digital Micromirror Device (DMD) allowing us to merge all degrees of freedom to a spatially and temporally controlled heat source. This enables us to exploit the possibilities of coherent thermal wave shaping. Exciting periodically while controlling at the same time phase and amplitude of the illumination source induces - via absorption at the sample's surface - a defined thermal wave propagation through a sample. That means thermal waves can be controlled almost like acoustical or optical waves. However, in contrast to optical or acoustical waves, thermal waves are highly damped due to the diffusive character of the thermal heat flow and therefore limited in penetration depth in relation to the achievable resolution. Nevertheless, the coherence length of thermal waves can be chosen in the mmrange for modulation frequencies below 10 Hz which is perfectly met by DMD technology. This approach gives us the opportunity to transfer known technologies from wave shaping techniques to thermography methods. We will present experiments on spatial and temporal wave shaping, demonstrating interference based crack detection.

  15. Thermal wave propagation in the pulsed laser irradiation of media with thermal memory

    International Nuclear Information System (INIS)

    Galovic, S.; Kostoski, D.; Stamboliev, G.; Suljovrujic, E.

    2002-01-01

    Complete text of publication follows. If a sample is exposed to the influence of laser radiation part of its energy is absorbed and converted in heat. The heat generated in this way is transferred through the sample as heat waves, resulting in various effects (so called photothermal effects). A large number of nondestructive diagnostic methods are based on recording of these effects. It is necessary to create a good model in order to understand and correctly describe the measured results of heat transfer in different media. In a certain number of materials and structures, such as complex biological materials, polymers, metals excited by very short laser pulses etc., the property of thermal memory has been experimentally observed. Starting with the hyperbolic equation that describes heat transfer processes of such media, in this paper has been developed a model of laser-excited heat waves propagation in order to enable application of photothermal techniques in characterization of these media. The cases of optically opaque and transparent samples are considered. The influence of various backings on photothermal waves has also been analyzed. The results are compared to the previous models

  16. Thermal and Driven Stochastic Growth of Langmuir Waves in the Solar Wind and Earth's Foreshock

    Science.gov (United States)

    Cairns, Iver H.; Robinson, P. A.; Anderson, R. R.

    2000-01-01

    Statistical distributions of Langmuir wave fields in the solar wind and the edge of Earth's foreshock are analyzed and compared with predictions for stochastic growth theory (SGT). SGT quantitatively explains the solar wind, edge, and deep foreshock data as pure thermal waves, driven thermal waves subject to net linear growth and stochastic effects, and as waves in a pure SGT state, respectively, plus radiation near the plasma frequency f(sub p). These changes are interpreted in terms of spatial variations in the beam instability's growth rate and evolution toward a pure SGT state. SGT analyses of field distributions are shown to provide a viable alternative to thermal noise spectroscopy for wave instruments with coarse frequency resolution, and to separate f(sub p) radiation from Langmuir waves.

  17. Detection and quantification of defects in composite material by using thermal wave method

    International Nuclear Information System (INIS)

    Ranjit, Shrestha; Kim, Won Tae

    2015-01-01

    This paper explored the results of experimental investigation on carbon fiber reinforced polymer (CFRP) composite sample with thermal wave technique. The thermal wave technique combines the advantages of both conventional thermal wave measurement and thermography using a commercial Infrared camera. The sample comprises the artificial inclusions of foreign material to simulate defects of different shape and size at different depths. Lock-in thermography is employed for the detection of defects. The temperature field of the front surface of sample was observed and analysed at several excitation frequencies ranging from 0.562 Hz down to 0.032 Hz. Four-point methodology was applied to extract the amplitude and phase of thermal wave's harmonic component. The phase images are analyzed to find qualitative and quantitative information about the defects

  18. Detection and quantification of defects in composite material by using thermal wave method

    Energy Technology Data Exchange (ETDEWEB)

    Ranjit, Shrestha; Kim, Won Tae [Dept. of Mechanical Engineering, Kongju National University, Cheonan (Korea, Republic of)

    2015-12-15

    This paper explored the results of experimental investigation on carbon fiber reinforced polymer (CFRP) composite sample with thermal wave technique. The thermal wave technique combines the advantages of both conventional thermal wave measurement and thermography using a commercial Infrared camera. The sample comprises the artificial inclusions of foreign material to simulate defects of different shape and size at different depths. Lock-in thermography is employed for the detection of defects. The temperature field of the front surface of sample was observed and analysed at several excitation frequencies ranging from 0.562 Hz down to 0.032 Hz. Four-point methodology was applied to extract the amplitude and phase of thermal wave's harmonic component. The phase images are analyzed to find qualitative and quantitative information about the defects.

  19. Measurement of thermal conductivity of Bi2Te3 nanowire using high-vacuum scanning thermal wave microscopy

    Science.gov (United States)

    Park, Kyungbae; Hwang, Gwangseok; Kim, Hayeong; Kim, Jungwon; Kim, Woochul; Kim, Sungjin; Kwon, Ohmyoung

    2016-02-01

    With the increasing application of nanomaterials in the development of high-efficiency thermoelectric energy conversion materials and electronic devices, the measurement of the intrinsic thermal conductivity of nanomaterials in the form of nanowires and nanofilms has become very important. However, the current widely used methods for measuring thermal conductivity have difficulties in eliminating the influence of interfacial thermal resistance (ITR) during the measurement. In this study, by using high-vacuum scanning thermal wave microscopy (HV-STWM), we propose a quantitative method for measuring the thermal conductivity of nanomaterials. By measuring the local phase lag of high-frequency (>10 kHz) thermal waves passing through a nanomaterial in a high-vacuum environment, HV-STWM eliminates the measurement errors due to ITR and the distortion due to heat transfer through air. By using HV-STWM, we measure the thermal conductivity of a Bi2Te3 nanowire. Because HV-STWM is quantitatively accurate and its specimen preparation is easier than in the thermal bridge method, we believe that HV-STWM will be widely used for measuring the thermal properties of various types of nanomaterials.

  20. Thermal responses in a coronal loop maintained by wave heating mechanisms

    Science.gov (United States)

    Matsumoto, Takuma

    2018-05-01

    A full 3-dimensional compressible magnetohydrodynamic (MHD) simulation is conducted to investigate the thermal responses of a coronal loop to the dynamic dissipation processes of MHD waves. When the foot points of the loop are randomly and continuously forced, the MHD waves become excited and propagate upward. Then, 1-MK temperature corona is produced naturally as the wave energy dissipates. The excited wave packets become non-linear just above the magnetic canopy, and the wave energy cascades into smaller spatial scales. Moreover, collisions between counter-propagating Alfvén wave packets increase the heating rate, resulting in impulsive temperature increases. Our model demonstrates that the heating events in the wave-heated loops can be nanoflare-like in the sense that they are spatially localized and temporally intermittent.

  1. Pressure Wave Measurements from Thermal Cook-Off of an HMX Based High Explosive PBX 9501

    International Nuclear Information System (INIS)

    Garcia, F.; Forbes, J.W.; Tarver, C.M.; Urtiew, P.A.; Greenwood, D.W.; Vandersall, K.S.

    2001-01-01

    A better understanding of thermal cook-off is important for safe handling and storing explosive devices. A number of safety issues exist about what occurs when a cased explosive thermally cooks off. For example, violence of the events as a function of confinement are important for predictions of collateral damage. This paper demonstrates how adjacent materials can be gauged to measure the resulting pressure wave and how this wave propagates in this adjacent material. The output pulse from the thermal cook-off explosive containing fixture is of obvious interest for assessing many scenarios

  2. Spontaneous generation of electromagnetic waves in plasmas with electron thermal flux

    International Nuclear Information System (INIS)

    Okada, Toshio

    1977-01-01

    Spontaneous generation of propagating electromagnetic fields due to a microinstability is investigated for plasmas which convey electron thermal fluxes. The following two cases are examined: 1) Electromagnetic fields spontaneously excited by electrons in a velocity distribution of skewed Maxwellian type. 2) Electromagnetic waves generated by electrons in a velocity distribution which consists of a main part and a high energy part. In this case, the electron thermal flux can be very high. In both cases, induced electromagnetic waves with relatively low frequencies propagate parallel to the direction of Thermal flux. (auth.)

  3. Non-destructive thermal wave method applied to study thermal properties of fast setting time endodontic cement

    International Nuclear Information System (INIS)

    Picolloto, A. M.; Mariucci, V. V. G.; Szpak, W.; Medina, A. N.; Baesso, M. L.; Astrath, N. G. C.; Astrath, F. B. G.; Bento, A. C.; Santos, A. D.; Moraes, J. C. S.

    2013-01-01

    The thermal wave method is applied for thermal properties measurement in fast endodontic cement (CER). This new formula is developed upon using Portland cement in gel and it was successfully tested in mice with good biocompatibility and stimulated mineralization. Recently, thermal expansion and setting time were measured, conferring to this material twice faster hardening than the well known Angelus Mineral trioxide aggregate (MTA) the feature of fast hardening (∼7 min) and with similar thermal expansion (∼12 μstrain/ °C). Therefore, it is important the knowledge of thermal properties like thermal diffusivity, conductivity, effusivity in order to match thermally the tissue environment upon its application in filling cavities of teeth. Photothermal radiometry technique based on Xe illumination was applied in CER disks 600 μm thick for heating, with prepared in four particle sizes (25, 38, 45, and 53) μm, which were added microemulsion gel with variation volumes (140, 150, 160, and 170) μl. The behavior of the thermal diffusivity CER disks shows linear decay for increase emulsion volume, and in contrast, thermal diffusivity increases with particles sizes. Aiming to compare to MTA, thermal properties of CER were averaged to get the figure of merit for thermal diffusivity as (44.2 ± 3.6) × 10 −3 cm 2 /s, for thermal conductivity (228 ± 32) mW/cm K, the thermal effusivity (1.09 ± 0.06) W s 0.5 /cm 2 K and volume heat capacity (5.2 ± 0.7) J/cm 3 K, which are in excellent agreement with results of a disk prepared from commercial MTA-Angelus (grain size < 10 μm using 57 μl of distilled water)

  4. Non-destructive thermal wave method applied to study thermal properties of fast setting time endodontic cement

    Science.gov (United States)

    Picolloto, A. M.; Mariucci, V. V. G.; Szpak, W.; Medina, A. N.; Baesso, M. L.; Astrath, N. G. C.; Astrath, F. B. G.; Santos, A. D.; Moraes, J. C. S.; Bento, A. C.

    2013-11-01

    The thermal wave method is applied for thermal properties measurement in fast endodontic cement (CER). This new formula is developed upon using Portland cement in gel and it was successfully tested in mice with good biocompatibility and stimulated mineralization. Recently, thermal expansion and setting time were measured, conferring to this material twice faster hardening than the well known Angelus Mineral trioxide aggregate (MTA) the feature of fast hardening (˜7 min) and with similar thermal expansion (˜12 μstrain/ °C). Therefore, it is important the knowledge of thermal properties like thermal diffusivity, conductivity, effusivity in order to match thermally the tissue environment upon its application in filling cavities of teeth. Photothermal radiometry technique based on Xe illumination was applied in CER disks 600 μm thick for heating, with prepared in four particle sizes (25, 38, 45, and 53) μm, which were added microemulsion gel with variation volumes (140, 150, 160, and 170) μl. The behavior of the thermal diffusivity CER disks shows linear decay for increase emulsion volume, and in contrast, thermal diffusivity increases with particles sizes. Aiming to compare to MTA, thermal properties of CER were averaged to get the figure of merit for thermal diffusivity as (44.2 ± 3.6) × 10-3 cm2/s, for thermal conductivity (228 ± 32) mW/cm K, the thermal effusivity (1.09 ± 0.06) W s0.5/cm2 K and volume heat capacity (5.2 ± 0.7) J/cm3 K, which are in excellent agreement with results of a disk prepared from commercial MTA-Angelus (grain size < 10 μm using 57 μl of distilled water).

  5. Non-destructive thermal wave method applied to study thermal properties of fast setting time endodontic cement

    Energy Technology Data Exchange (ETDEWEB)

    Picolloto, A. M.; Mariucci, V. V. G.; Szpak, W.; Medina, A. N.; Baesso, M. L.; Astrath, N. G. C.; Astrath, F. B. G.; Bento, A. C., E-mail: acbento@uem.br [Departamento de Física, Grupo de Espectroscopia Fotoacústica e Fototérmica, Universidade Estadual de Maringá – UEM, Av. Colombo 5790, 87020-900 Maringá, Paraná (Brazil); Santos, A. D.; Moraes, J. C. S. [Departamento de Física e Química, Universidade Estadual Paulista Júlio de Mesquita Filho – UNESP, Av. Brasil 56, 15385-000 Ilha Solteira, SP (Brazil)

    2013-11-21

    The thermal wave method is applied for thermal properties measurement in fast endodontic cement (CER). This new formula is developed upon using Portland cement in gel and it was successfully tested in mice with good biocompatibility and stimulated mineralization. Recently, thermal expansion and setting time were measured, conferring to this material twice faster hardening than the well known Angelus Mineral trioxide aggregate (MTA) the feature of fast hardening (∼7 min) and with similar thermal expansion (∼12 μstrain/ °C). Therefore, it is important the knowledge of thermal properties like thermal diffusivity, conductivity, effusivity in order to match thermally the tissue environment upon its application in filling cavities of teeth. Photothermal radiometry technique based on Xe illumination was applied in CER disks 600 μm thick for heating, with prepared in four particle sizes (25, 38, 45, and 53) μm, which were added microemulsion gel with variation volumes (140, 150, 160, and 170) μl. The behavior of the thermal diffusivity CER disks shows linear decay for increase emulsion volume, and in contrast, thermal diffusivity increases with particles sizes. Aiming to compare to MTA, thermal properties of CER were averaged to get the figure of merit for thermal diffusivity as (44.2 ± 3.6) × 10{sup −3} cm{sup 2}/s, for thermal conductivity (228 ± 32) mW/cm K, the thermal effusivity (1.09 ± 0.06) W s{sup 0.5}/cm{sup 2} K and volume heat capacity (5.2 ± 0.7) J/cm{sup 3} K, which are in excellent agreement with results of a disk prepared from commercial MTA-Angelus (grain size < 10 μm using 57 μl of distilled water)

  6. Self-consistent Langmuir waves in resonantly driven thermal plasmas

    Science.gov (United States)

    Lindberg, R. R.; Charman, A. E.; Wurtele, J. S.

    2007-12-01

    The longitudinal dynamics of a resonantly driven Langmuir wave are analyzed in the limit that the growth of the electrostatic wave is slow compared to the bounce frequency. Using simple physical arguments, the nonlinear distribution function is shown to be nearly invariant in the canonical particle action, provided both a spatially uniform term and higher-order spatial harmonics are included along with the fundamental in the longitudinal electric field. Requirements of self-consistency with the electrostatic potential yield the basic properties of the nonlinear distribution function, including a frequency shift that agrees closely with driven, electrostatic particle simulations over a range of temperatures. This extends earlier work on nonlinear Langmuir waves by Morales and O'Neil [G. J. Morales and T. M. O'Neil, Phys. Rev. Lett. 28, 417 (1972)] and Dewar [R. L. Dewar, Phys. Plasmas 15, 712 (1972)], and could form the basis of a reduced kinetic treatment of plasma dynamics for accelerator applications or Raman backscatter.

  7. Self-consistent Langmuir waves in resonantly driven thermal plasmas

    International Nuclear Information System (INIS)

    Lindberg, R. R.; Charman, A. E.; Wurtele, J. S.

    2007-01-01

    The longitudinal dynamics of a resonantly driven Langmuir wave are analyzed in the limit that the growth of the electrostatic wave is slow compared to the bounce frequency. Using simple physical arguments, the nonlinear distribution function is shown to be nearly invariant in the canonical particle action, provided both a spatially uniform term and higher-order spatial harmonics are included along with the fundamental in the longitudinal electric field. Requirements of self-consistency with the electrostatic potential yield the basic properties of the nonlinear distribution function, including a frequency shift that agrees closely with driven, electrostatic particle simulations over a range of temperatures. This extends earlier work on nonlinear Langmuir waves by Morales and O'Neil [G. J. Morales and T. M. O'Neil, Phys. Rev. Lett. 28, 417 (1972)] and Dewar [R. L. Dewar, Phys. Plasmas 15, 712 (1972)], and could form the basis of a reduced kinetic treatment of plasma dynamics for accelerator applications or Raman backscatter

  8. Isomers chart; Table des isomeres

    Energy Technology Data Exchange (ETDEWEB)

    Dupont-Gautier, P; Chantelot, S; Moisson, N [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1967-07-01

    The nuclear isomers are nuclides offering the same mass number and the same atomic number, but different energy levels. In the following chart the zero energy ground states are omitted and the metastable isomers, i.e. of non-zero energy, known and of measurable lifetime, are listed. The lower limit of this lifetime was set here to 0.1 x 10{sup -6} s. The various isomers were classified in increasing lifetimes. (authors) [French] Les isomeres nucleaires sont des nucleides presentant le meme nombre de masse et le meme numero atomique, mais des niveaux energetiques differents. Dans la table suivante, on a neglige les etats fondamentaux d'energie nulle et on a recense les isomeres metastables, c'est-a-dire d'energie non nulle, connus et de periode mesurable. La limite inferieure de cette periode a ete fixee ici a 0,1 x 10{sup -6} s. Les differents isomeres ont ete classes par periodes croissantes. (auteurs)

  9. Isomers chart; Table des isomeres

    Energy Technology Data Exchange (ETDEWEB)

    Dupont-Gautier, P.; Chantelot, S.; Moisson, N. [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1967-07-01

    The nuclear isomers are nuclides offering the same mass number and the same atomic number, but different energy levels. In the following chart the zero energy ground states are omitted and the metastable isomers, i.e. of non-zero energy, known and of measurable lifetime, are listed. The lower limit of this lifetime was set here to 0.1 x 10{sup -6} s. The various isomers were classified in increasing lifetimes. (authors) [French] Les isomeres nucleaires sont des nucleides presentant le meme nombre de masse et le meme numero atomique, mais des niveaux energetiques differents. Dans la table suivante, on a neglige les etats fondamentaux d'energie nulle et on a recense les isomeres metastables, c'est-a-dire d'energie non nulle, connus et de periode mesurable. La limite inferieure de cette periode a ete fixee ici a 0,1 x 10{sup -6} s. Les differents isomeres ont ete classes par periodes croissantes. (auteurs)

  10. Pump depletion effects in thermal degenerate four-wave mixing

    International Nuclear Information System (INIS)

    Guha, S.; Chen, W.

    1987-01-01

    Characteristics such as a large magnitude of nonlinearity, fast response, broadband operation, and easy availability make absorbing liquids attractive candidates for performing phase conjugation of optical beams by degenerate four-wave mixing. The coupled-wave equations describing the interaction of four optical fields in an absorbing medium have been solved previously for the case of no pump depletion and no self-action of any of the beams. When studying phase conjugation oscillation, however, the effect of depletion of the pump beams on the phase conjugate reflectivity must be considered. Moreover, in absorbing media the self-action effects are always present. The coupled-wave equations, including the self-action terms for all four waves involved, are derived here for the first time to the authors' knowledge. For the case of small absorption, these equations are solved analytically, and the effect of pump depletion on phase conjugate reflectivity R is determined. In the absence of the pump depletion, R is proportional to tan 2 (Ql), where Ql is a dimensionless gain parameter characterizing the nonlinear medium and the input pump power. When pump depletion and self-action are included, R does not go to infinity when Ql equals odd multiples of π2. Instead R takes on values dependent on the probe ratio q 1 , which is the ratio of the input probe irradiance to the input pump irradiance. The authors find that the maximum value for R is 1q 1 . They also find that for Ql close to odd multiples of π2, the reflectivity is significantly reduced from the value obtained by ignoring pump depletion, even for probe ratios as small as one-tenth of 1%. Experimental confirmation of this theory, using an argon-ion laser as the pump and carbon tetrachloride mixed with a dye as the absorbing medium, is in progress and is reported

  11. Thermal Electron Bernstein Wave Emission Measurements on NST

    Czech Academy of Sciences Publication Activity Database

    Diem, S.J.; Taylor, G.; Efthimion, P.; LeBlanc, B.P.; Philips, C.K.; Caughman, J.; Wilgen, J.B.; Harvey, R.W.; Preinhaelter, Josef; Urban, Jakub

    2006-01-01

    Roč. 51, č. 7 (2006), s. 134 ISSN 0003-0503. [Annual Meeting of the Division of Plasma Physics/48th./. Philadelphia, Pennsylvania , 30.10.2006-3.11.2006] Institutional research plan: CEZ:AV0Z20430508 Keywords : Conversion * Emission * Tokamaks * Electron Bernstein waves * Simulation * MAST * NSTX Subject RIV: BL - Plasma and Gas Discharge Physics http://www.aps.org/meet/DPP06/baps/all_DPP06.pdf

  12. Propagation of thermal and hydromagnetic waves in an ionizing-recombining hydrogen plasma

    International Nuclear Information System (INIS)

    Di Sigalotti, Leonardo G.; Sira, Eloy; Rendon, Otto; Tremola, Ciro; Mendoza-Briceno, Cesar A.

    2004-01-01

    The propagation of thermal and magnetohydrodynamic (MHD) waves in a heat-conducting, hydrogen plasma, threaded by an external uniform magnetic field (B) and in which photoionization and photorecombination [H + +e - H+hν(χ)] processes are progressing, is investigated here using linear analysis. The resulting dispersion equation is solved analytically for varied strength (β<<1 and ∼1) and orientation of the magnetic field, where β denotes the ratio of plasma to magnetic pressures. Application of this model to the interstellar medium shows that heat conduction governs the propagation of thermal waves only at relatively high frequencies regardless of the plasma temperature, strength, and orientation of the magnetic field. When the direction of wave propagation is held perpendicular to B (i.e., k perpendicular B), the magnetosonic phase velocity is closely Alfvenic for β<<1, while for β∼1 both the hydrostatic and magnetic pressures determine the wave velocity. As long as k parallel B, the fast (transverse) magnetosonic wave becomes an Alfven wave for all frequencies independent of the plasma temperature and field strength, while the slow (longitudinal) magnetosonic wave becomes a pure sound wave. Amplification of thermal and MHD waves always occur at low frequencies and preferentially at temperatures for which the plasma is either weakly or partially ionized. Compared to previous analysis for the same hydrogen plasma model with B=0, the presence of the magnetic field makes the functional dependence of the physical quantities span a longer range of frequencies, which becomes progressively longer as the field strength is increased

  13. Thermal conductivity profile determination in proton-irradiated ZrC by spatial and frequency scanning thermal wave methods

    International Nuclear Information System (INIS)

    Jensen, C.; Chirtoc, M.; Horny, N.; Antoniow, J. S.; Pron, H.; Ban, H.

    2013-01-01

    Using complementary thermal wave methods, the irradiation damaged region of zirconium carbide (ZrC) is characterized by quantifiably profiling the thermophysical property degradation. The ZrC sample was irradiated by a 2.6 MeV proton beam at 600 °C to a dose of 1.75 displacements per atom. Spatial scanning techniques including scanning thermal microscopy (SThM), lock-in infrared thermography (lock-in IRT), and photothermal radiometry (PTR) were used to directly map the in-depth profile of thermal conductivity on a cross section of the ZrC sample. The advantages and limitations of each system are discussed and compared, finding consistent results from all techniques. SThM provides the best resolution finding a very uniform thermal conductivity envelope in the damaged region measuring ∼52 ± 2 μm deep. Frequency-based scanning PTR provides quantification of the thermal parameters of the sample using the SThM measured profile to provide validation of a heating model. Measured irradiated and virgin thermal conductivities are found to be 11.9 ± 0.5 W m −1 K −1 and 26.7 ±1 W m −1 K −1 , respectively. A thermal resistance evidenced in the frequency spectra of the PTR results was calculated to be (1.58 ± 0.1) × 10 −6 m 2 K W −1 . The measured thermal conductivity values compare well with the thermal conductivity extracted from the SThM calibrated signal and the spatially scanned PTR. Combined spatial and frequency scanning techniques are shown to provide a valuable, complementary combination for thermal property characterization of proton-irradiated ZrC. Such methodology could be useful for other studies of ion-irradiated materials

  14. Numerical analysis for thermal waves in gas generated by impulsive heating of a boundary surface

    International Nuclear Information System (INIS)

    Utsumi, Takayuki; Kunugi, Tomoaki

    1996-01-01

    Thermal wave in gas generated by an impulsive heating of a solid boundary was analyzed numerically by the Differential Algebraic CIP (Cubic Interpolated Propagation) scheme. Numerical results for the ordinary heat conduction equation were obtained with a high accuracy. As for the hyperbolic thermal fluid dynamics equation, the fundamental feature of the experimental results by Brown and Churchill with regard to thermoacoustic convection was qualitatively reproduced by the DA-CIP scheme. (author)

  15. Monocrystalline fibres for low thermal noise suspension in advanced gravitational wave detectors

    International Nuclear Information System (INIS)

    Amico, P; Bosi, L; Gammaitoni, L; Losurdo, G; Marchesoni, F; Mazzoni, M; Parisi, D; Punturo, M; Stanga, R; Toncelli, A; Tonelli, M; Travasso, F; Vetrano, F; Vocca, H

    2004-01-01

    Thermal noise in mirror suspension will be the most severe fundamental limit to the low-frequency sensitivity of future interferometric gravitational wave detectors. We propose a new type of materials to realize low thermal noise suspension in such detectors. Monocrystalline suspension fibres are good candidates both for cryogenic and for ambient temperature interferometers. Material characteristics and a production facility are described in this paper

  16. Monocrystalline fibres for low thermal noise suspension in advanced gravitational wave detectors

    Energy Technology Data Exchange (ETDEWEB)

    Amico, P [Istituto Nazionale di Fisica Nucleare, Sezione di Perugia, Virgo Project, I-06100 Perugia (Italy); Bosi, L [Istituto Nazionale di Fisica Nucleare, Sezione di Perugia, Virgo Project, I-06100 Perugia (Italy); Gammaitoni, L [Istituto Nazionale di Fisica Nucleare, Sezione di Perugia, Virgo Project, I-06100 Perugia (Italy); Losurdo, G [Istituto Nazionale di Fisica Nucleare, Sezione di Firenze/Urbino, Florence (Italy); Marchesoni, F [Istituto Nazionale di Fisica Nucleare, Sezione di Perugia, Virgo Project, I-06100 Perugia (Italy); Mazzoni, M [Istituto Nazionale di Fisica Nucleare, Sezione di Firenze/Urbino, Florence (Italy); Parisi, D [NEST-Dipartimento di Fisica, Universita di Pisa, Pisa (Italy); Punturo, M [Istituto Nazionale di Fisica Nucleare, Sezione di Perugia, Virgo Project, I-06100 Perugia (Italy); Stanga, R [Istituto Nazionale di Fisica Nucleare, Sezione di Firenze/Urbino, Florence (Italy); Toncelli, A [Istituto Nazionale di Fisica Nucleare, Sezione di Pisa, Pisa (Italy); Tonelli, M [Istituto Nazionale di Fisica Nucleare, Sezione di Pisa, Pisa (Italy); Travasso, F [Istituto Nazionale di Fisica Nucleare, Sezione di Perugia, Virgo Project, I-06100 Perugia (Italy); Vetrano, F [Istituto Nazionale di Fisica Nucleare, Sezione di Firenze/Urbino, Florence (Italy); Vocca, H [Istituto Nazionale di Fisica Nucleare, Sezione di Perugia, Virgo Project, I-06100 Perugia (Italy)

    2004-03-07

    Thermal noise in mirror suspension will be the most severe fundamental limit to the low-frequency sensitivity of future interferometric gravitational wave detectors. We propose a new type of materials to realize low thermal noise suspension in such detectors. Monocrystalline suspension fibres are good candidates both for cryogenic and for ambient temperature interferometers. Material characteristics and a production facility are described in this paper.

  17. Experimental grounds for nuclear shape isomerism

    International Nuclear Information System (INIS)

    Makarenko, V.E.

    1995-11-01

    Experimental data on fission isomeric states of actinide nuclei - half lives, energies, quantum numbers, decay branches and spectroscopic properties - are discussed. Quite a few results find their explanation in the framework of nuclear shape isomerism hypothesis being the in-thing for about thirty years. Others seem to be the hints to the quasiparticle nature of fission isomers. The problem could be solved by direct measurement of nuclear spin for isomeric states. (author). 44 refs, 1 tab

  18. Detection of thermal fatigue in composites by second harmonic Lamb waves

    International Nuclear Information System (INIS)

    Li, Weibin; Cho, Younho; Achenbach, Jan D

    2012-01-01

    Composite materials which are widely used in the aerospace industry, are usually subjected to frequent variation of temperature. Thermal cyclic loading may induce material degradation. Considering the long-term service of aircraft composites and the importance of safety in the aircraft industry, even a little damage that may be accumulative via thermal fatigue is often of great concern. Therefore, there is a demand to develop non-destructive approaches to evaluate thermal fatigue damage in an early stage. Due to the sensitivity of acoustic nonlinearity to micro-damage, the nonlinear ultrasonic technique has been explored as a promising tool for early detection of micro-damage. This paper investigates an experimental scheme for characterizing thermal fatigue damage in composite laminates using second harmonic Lamb waves. The present results show a monotonic increase of acoustic nonlinearity with respect to thermal fatigue cycles. The experimental observation of the correlation between the acoustic nonlinearity and thermal fatigue cycles in carbon/epoxy laminates verifies that nonlinear Lamb waves can be used to assess thermal fatigue damage rendering improved sensitivity over conventional linear feature based non-destructive evaluation techniques. Velocity and attenuation based ultrasonic studies are carried out for comparison with the nonlinear ultrasonic approach and it is found that nonlinear acoustic parameters are more promising indicators of thermal fatigue damage than linear ones. (paper)

  19. Effect of Local Thermal Equilibrium Misbalance on Long-wavelength Slow Magnetoacoustic Waves

    Energy Technology Data Exchange (ETDEWEB)

    Nakariakov, V. M. [Centre for Fusion, Space and Astrophysics, Physics Department, University of Warwick, Coventry CV4 7AL (United Kingdom); Afanasyev, A. N. [Institute of Solar-Terrestrial Physics SB RAS, P.O. Box 291, Lermontov St. 126A, Irkutsk 664033 (Russian Federation); Kumar, S.; Moon, Y.-J., E-mail: V.Nakariakov@warwick.ac.uk [School of Space Research, Kyung Hee University, Yongin, 446-701, Gyeonggi (Korea, Republic of)

    2017-11-01

    Evolution of slow magnetoacoustic waves guided by a cylindrical magnetic flux tube that represents a coronal loop or plume, is modeled accounting for the effects of finite gas pressure, weak nonlinearity, dissipation by thermal conduction and viscosity, and the misbalance between the cooling by optically thin radiation and unspecified heating of the plasma. An evolutionary equation of the Burgers–Malthus type is derived. It is shown that the cooling/heating misbalance, determined by the derivatives of the combined radiative cooling and heating function, with respect to the density, temperature, and magnetic field at the thermal equilibrium affect the wave rather strongly. This effect may either cause additional damping, or counteract it, or lead to the gradual amplification of the wave. In the latter case, the coronal plasma acts as an active medium for the slow magnetoacoustic waves. The effect of the cooling/heating misbalance could be important for coronal slow waves, and could be responsible for certain discrepancies between theoretical results and observations, in particular, the increased or decreased damping lengths and times, detection of the waves at certain heights only, and excitation of compressive oscillations. The results obtained open up a possibility for the diagnostics of the coronal heating function by slow magnetoacoustic waves.

  20. Thermal chiral vortical and magnetic waves: New excitation modes in chiral fluids

    Energy Technology Data Exchange (ETDEWEB)

    Kalaydzhyan, Tigran, E-mail: tigran@caltech.edu [Department of Physics, University of Illinois, 845 W Taylor Street, Chicago, IL 60607 (United States); Jet Propulsion Laboratory, 4800 Oak Grove Dr, M/S 298, Pasadena, CA 91109 (United States); Murchikova, Elena [TAPIR, California Institute of Technology, MC 350-17, Pasadena, CA 91125 (United States)

    2017-06-15

    In certain circumstances, chiral (parity-violating) medium can be described hydrodynamically as a chiral fluid with microscopic quantum anomalies. Possible examples of such systems include strongly coupled quark–gluon plasma, liquid helium {sup 3}He-A, neutron stars and the Early Universe. We study first-order hydrodynamics of a chiral fluid on a vortex background and in an external magnetic field. We show that there are two previously undiscovered modes describing heat waves propagating along the vortex and magnetic field. We call them the Thermal Chiral Vortical Wave and Thermal Chiral Magnetic Wave. We also identify known gapless excitations of density (chiral vortical and chiral magnetic waves) and transverse velocity (chiral Alfvén wave). We demonstrate that the velocity of the chiral vortical wave is zero, when the full hydrodynamic framework is applied, and hence the wave is absent and the excitation reduces to the charge diffusion mode. We also comment on the frame-dependent contributions to the obtained propagation velocities.

  1. Thermal chiral vortical and magnetic waves: New excitation modes in chiral fluids

    International Nuclear Information System (INIS)

    Kalaydzhyan, Tigran; Murchikova, Elena

    2017-01-01

    In certain circumstances, chiral (parity-violating) medium can be described hydrodynamically as a chiral fluid with microscopic quantum anomalies. Possible examples of such systems include strongly coupled quark–gluon plasma, liquid helium "3He-A, neutron stars and the Early Universe. We study first-order hydrodynamics of a chiral fluid on a vortex background and in an external magnetic field. We show that there are two previously undiscovered modes describing heat waves propagating along the vortex and magnetic field. We call them the Thermal Chiral Vortical Wave and Thermal Chiral Magnetic Wave. We also identify known gapless excitations of density (chiral vortical and chiral magnetic waves) and transverse velocity (chiral Alfvén wave). We demonstrate that the velocity of the chiral vortical wave is zero, when the full hydrodynamic framework is applied, and hence the wave is absent and the excitation reduces to the charge diffusion mode. We also comment on the frame-dependent contributions to the obtained propagation velocities.

  2. Thermal chiral vortical and magnetic waves: New excitation modes in chiral fluids

    Directory of Open Access Journals (Sweden)

    Tigran Kalaydzhyan

    2017-06-01

    Full Text Available In certain circumstances, chiral (parity-violating medium can be described hydrodynamically as a chiral fluid with microscopic quantum anomalies. Possible examples of such systems include strongly coupled quark–gluon plasma, liquid helium 3He-A, neutron stars and the Early Universe. We study first-order hydrodynamics of a chiral fluid on a vortex background and in an external magnetic field. We show that there are two previously undiscovered modes describing heat waves propagating along the vortex and magnetic field. We call them the Thermal Chiral Vortical Wave and Thermal Chiral Magnetic Wave. We also identify known gapless excitations of density (chiral vortical and chiral magnetic waves and transverse velocity (chiral Alfvén wave. We demonstrate that the velocity of the chiral vortical wave is zero, when the full hydrodynamic framework is applied, and hence the wave is absent and the excitation reduces to the charge diffusion mode. We also comment on the frame-dependent contributions to the obtained propagation velocities.

  3. On the propagation of hydromagnetic waves in a plasma of thermal and suprathermal components

    Science.gov (United States)

    Kumar, Nagendra; Sikka, Himanshu

    2007-12-01

    The propagation of MHD waves is studied when two ideal fluids, thermal and suprathermal gases, coupled by magnetic field are moving with the steady flow velocity. The fluids move independently in a direction perpendicular to the magnetic field but gets coupled along the field. Due to the presence of flow in suprathermal and thermal fluids there appears forward and backward waves. All the forward and backward modes propagate in such a way that their rate of change of phase speed with the thermal Mach number is same. It is also found that besides the usual hydromagnetic modes there appears a suprathermal mode which propagates with faster speed. Surface waves are also examined on an interface formed with composite plasma (suprathermal and thermal gases) on one side and the other is a non-magnetized plasma. In this case, the modes obtained are two or three depending on whether the sound velocity in thermal gas is equal to or greater than the sound velocity in suprathermal gas. The results lead to the conclusion that the interaction of thermal and suprathermal components may lead to the occurrence of an additional mode called suprathermal mode whose phase velocity is higher than all the other modes.

  4. Large Blast and Thermal Simulator Reflected Wave Eliminator Study

    Science.gov (United States)

    1990-03-01

    it delays the passage of this wave through the test section until after the test is complete. The required length of extra duct depends on the strength...tube axis, which acts like an additional contraction effect since Se = Sj/[Cqsin(aj)]. Tii extra area is illustrated best by plotting (Se-Ae)/Ac versus...34Simulation de Choc et de Soaffie. Comimpensateur d’Ondes de Detente de Bouche pour tube a Choc de 2400 mm de diametre de Veine. Description, Compte- Renda

  5. Quantum optimal control of ozone isomerization

    International Nuclear Information System (INIS)

    Artamonov, Maxim; Ho, Tak-San; Rabitz, Herschel

    2004-01-01

    We present a feasibility study of ozone isomerization based on a recent ab initio potential energy surface and a model Hamiltonian constructed by holding the bond lengths constant and using the valence angle as the isomerization coordinate. Optimal control theory is used to find an electric field that drives isomerization with a yield of 95% to the symmetric metastable triangular form of ozone. A frequency filter is applied as an additional spectral constraint limiting the field bandwidth. A post-facto analysis is performed showing a degree of inherent robustness of the isomerization yield to field noise

  6. Thermal properties and continuous-wave laser performance of Yb:LuVO4 crystal

    Science.gov (United States)

    Cheng, Y.; Zhang, H. J.; Yu, Y. G.; Wang, J. Y.; Tao, X. T.; Liu, J. H.; Petrov, V.; Ling, Z. C.; Xia, H. R.; Jiang, M. H.

    2007-03-01

    A laser crystal of Yb:LuVO4 with high optical quality was grown by the Czochralski technique. Its thermal properties including specific heat, thermal expansion coefficients, and thermal conductivities along the a- and c-axis have been measured for the first time. Continuous-wave laser output up to 3.5 W at 1031 nm was obtained at room temperature through end-pumping by a high-power diode laser. The corresponding optical conversion efficiency was 43% and the slope efficiency was 72%.

  7. Enhanced polarization of the cosmic microwave background radiation from thermal gravitational waves.

    Science.gov (United States)

    Bhattacharya, Kaushik; Mohanty, Subhendra; Nautiyal, Akhilesh

    2006-12-22

    If inflation was preceded by a radiation era, then at the time of inflation there will exist a decoupled thermal distribution of gravitons. Gravitational waves generated during inflation will be amplified by the process of stimulated emission into the existing thermal distribution of gravitons. Consequently, the usual zero temperature scale invariant tensor spectrum is modified by a temperature dependent factor. This thermal correction factor amplifies the B-mode polarization of the cosmic microwave background radiation by an order of magnitude at large angles, which may now be in the range of observability of the Wilkinson Microwave Anisotropy Probe.

  8. Polarization characterization of PZT disks and of embedded PZT plates by thermal wave methods

    International Nuclear Information System (INIS)

    Eydam, Agnes; Suchaneck, Gunnar; Gerlach, Gerald; Esslinger, Sophia; Schönecker, Andreas; Neumeister, Peter

    2014-01-01

    In this work, the thermal wave method was applied to characterize PZT disks and embedded PZT plates with regard to the polarization magnitude and spatial homogeneity. The samples were exposed to periodic heating by means of a laser beam and the pyroelectric response was determined. Thermal relaxation times (single time constants or distributions of time constants) describe the heat losses of the PZT samples to the environment. The resulting pyroelectric current spectrum was fitted to the superposition of thermal relaxation processes. The pyroelectric coefficient gives insight in the polarization distribution. For PZT disks, the polarization distribution in the surface region showed a characteristic decrease towards the electrodes

  9. Thermal-wave balancing flow sensor with low-drift power feedback

    NARCIS (Netherlands)

    Dijkstra, Marcel; Lammerink, Theodorus S.J.; Pjetri, O.; de Boer, Meint J.; Berenschot, Johan W.; Wiegerink, Remco J.; Elwenspoek, Michael Curt

    2014-01-01

    A control system using a low-drift power-feedback signal was implemented applying thermal waves, giving a sensor output independent of resistance drift and thermo-electric offset voltages on interface wires. Kelvin-contact sensing and power control is used on heater resistors, thereby inhibiting the

  10. Thermal diffusivity from heat wave propagation in Wendelstein 7-AS

    Energy Technology Data Exchange (ETDEWEB)

    Hartfuss, H J; Erckmann, V; Giannone, L.; Maassberg, H; Tutter, M [Max-Planck-Institut fuer Plasmaphysik, Garching (Germany)

    1991-01-01

    Electron thermal diffusivity studies can be carried out in two ways: static and dynamic. In the static analysis, the transport coefficients are determined from the stationary power balance, in the dynamic analysis from the propagation of a small perturbation of the stationary plasma state which can be caused by either a sawtooth generated heat pulse or modulation of the heating power. Electron thermal diffusivity [chi][sub e] is deduced from the evolution of the perturbed electron temperature T[sub e] at different locations r[sub i] in the plasma. [chi][sub e] values obtained from perturbation analysis are usually greater than those calculated from power balance. It has been pointed out that there is a principal difference between static and perturbative analysis. Whereas the static method yields the transport coefficient [chi][sub e]=q[sub e]/n[sub e][nabla]T[sub e], the perturbative method leads to an increase of the flux q[sub e] as a result of an increase in the temperature gradient [nabla]T[sub e]. The quantity determined is an incremental [chi][sub e] as defined by [chi][sub e][sup inc]=[partial derivative]q[sub e]/n[sub e][partial derivative]([nabla]T[sub e]). By varying the modulation of the heating power at different frequencies and amplitudes one can address the question whether or not this discrepancy is a function of the varied parameters. (author) 7 refs., 2 figs.

  11. Thermal diffusivity from heat wave propagation in Wendelstein 7-AS

    International Nuclear Information System (INIS)

    Hartfuss, H.J.; Erckmann, V.; Giannone, L.; Maassberg, H.; Tutter, M.

    1991-01-01

    Electron thermal diffusivity studies can be carried out in two ways: static and dynamic. In the static analysis, the transport coefficients are determined from the stationary power balance, in the dynamic analysis from the propagation of a small perturbation of the stationary plasma state which can be caused by either a sawtooth generated heat pulse or modulation of the heating power. Electron thermal diffusivity χ e is deduced from the evolution of the perturbed electron temperature T e at different locations r i in the plasma. χ e values obtained from perturbation analysis are usually greater than those calculated from power balance. It has been pointed out that there is a principal difference between static and perturbative analysis. Whereas the static method yields the transport coefficient χ e = q e /n e ∇T e , the perturbative methods leads to an icnrease of the flux q e as a result of an increase in the temperature gradient ∇T e . The quantity determined is an incremental χ e as defined by χ e inc =δq e /n e δ(∇T e ). By varying the modulation of the heating power at different frequencies and amplitudes one can address the question whether or not this discrepancy is a function of the varied parameters. (orig.)

  12. Propagation of sound and thermal waves in an ionizing-recombining hydrogen plasma: Revision of results

    International Nuclear Information System (INIS)

    Di Sigalotti, Leonardo G.; Sira, Eloy; Tremola, Ciro

    2002-01-01

    The propagation of acoustic and thermal waves in a heat conducting, hydrogen plasma, in which photoionization and photorecombination [H + +e - H+hν(χ)] processes are progressing, is re-examined here using linear analysis. The resulting dispersion equation is solved analytically and the results are compared with previous solutions for the same plasma model. In particular, it is found that wave propagation in a slightly and highly ionized hydrogen plasma is affected by crossing between acoustic and thermal modes. At temperatures where the plasma is partially ionized, waves of all frequencies propagate without the occurrence of mode crossing. These results disagree with those reported in previous work, thereby leading to a different physical interpretation of the propagation of small linear disturbances in a conducting, ionizing-recombining, hydrogen plasma

  13. The role played by thermal feedback in heated Farley-Buneman waves at high latitudes

    Directory of Open Access Journals (Sweden)

    J.-P. St.-Maurice

    2000-05-01

    Full Text Available It is becoming increasingly clear that electron thermal effects have to be taken into account when dealing with the theory of ionospheric instabilities in the high-latitude ionosphere. Unfortunately, the mathematical complexity often hides the physical processes at work. We follow the limiting cases of a complex but systematic generalized fluid approach to get to the heart of the thermal processes that affect the stability of E region waves during electron heating events. We try to show as simply as possible under what conditions thermal effects contribute to the destabilization of strongly field-aligned (zero aspect angle Farley-Buneman modes. We show that destabilization can arise from a combination of (1 a reduction in pressure gradients associated with temperature fluctuations that are out of phase with density fluctuations, and (2 thermal diffusion, which takes the electrons from regions of enhanced temperatures to regions of negative temperature fluctuations, and therefore enhanced densities. However, we also show that, contrary to what has been suggested in the past, for modes excited along the E0×B direction thermal feedback decreases the growth rate and raises the threshold speed of the Farley-Buneman instability. The increase in threshold speed appears to be important enough to explain the generation of `Type IV' waves in the high-latitude ionosphere.Key words: Ionosphere (auroral ionosphere; iono- spheric irregularities; plasma waves and instabilities

  14. Conjunction of standing wave and resonance in asymmetric nanowires: a mechanism for thermal rectification and remote energy accumulation.

    Science.gov (United States)

    Liu, Yue-Yang; Zhou, Wu-Xing; Chen, Ke-Qiu

    2015-12-02

    As an important way to control and manage heat transport, thermal rectification has become an elementary issue in the field of phononics and plays a key role in the designing of thermal devices. Here we investigate systematically the standing wave and the accompanying resonance process in asymmetric nanowires to understand the standing wave itself and its great effect on thermal rectification. Results show that the standing wave is sensitive to both the structural and thermal properties of the material, and its great effect on enhancing the thermal rectification is realized not only by the energy-localization nature of the standing wave, but also by the resonance-caused large amplitude and high energy of the standing wave.

  15. Thermal and viscous effects on sound waves: revised classical theory.

    Science.gov (United States)

    Davis, Anthony M J; Brenner, Howard

    2012-11-01

    In this paper the recently developed, bi-velocity model of fluid mechanics based on the principles of linear irreversible thermodynamics (LIT) is applied to sound propagation in gases taking account of first-order thermal and viscous dissipation effects. The results are compared and contrasted with the classical Navier-Stokes-Fourier results of Pierce for this same situation cited in his textbook. Comparisons are also made with the recent analyses of Dadzie and Reese, whose molecularly based sound propagation calculations furnish results virtually identical with the purely macroscopic LIT-based bi-velocity results below, as well as being well-supported by experimental data. Illustrative dissipative sound propagation examples involving application of the bi-velocity model to several elementary situations are also provided, showing the disjoint entropy mode and the additional, evanescent viscous mode.

  16. Revisiting the thermal effect on shock wave propagation in weakly ionized plasmas

    International Nuclear Information System (INIS)

    Zhou, Qianhong; Dong, Zhiwei; Yang, Wei

    2016-01-01

    Many researchers have investigated shock propagation in weakly ionized plasmas and observed the following anomalous effects: shock acceleration, shock recovery, shock weakening, shock spreading, and splitting. It was generally accepted that the thermal effect can explain most of the experimental results. However, little attention was paid to the shock recovery. In this paper, the shock wave propagation in weakly ionized plasmas is studied by fluid simulation. It is found that the shock acceleration, weakening, and splitting appear after it enters the plasma (thermal) region. The shock splits into two parts right after it leaves the thermal region. The distance between the splitted shocks keeps decreasing until they recover to one. This paper can explain a whole set of features of the shock wave propagation in weakly ionized plasmas. It is also found that both the shock curvature and the splitting present the same photoacoustic deflection (PAD) signals, so they cannot be distinguished by the PAD experiments.

  17. Analysis of supercritical vapor explosions using thermal detonation wave theory

    Energy Technology Data Exchange (ETDEWEB)

    Shamoun, B.I.; Corradini, M.L. [Univ. of Wisconsin, Madison, WI (United States)

    1995-09-01

    The interaction of certain materials such as Al{sub 2}O{sub 3} with water results in vapor explosions with very high (supercritical) pressures and propagation velocities. A quasi-steady state analysis of supercritical detonation in one-dimensional multiphase flow was applied to analyze experimental data of the KROTOS (26-30) set of experiments conducted at the Joint Research Center at Ispra, Italy. In this work we have applied a new method of solution which allows for partial fragmentation of the fuel in the shock adiabatic thermodynamic model. This method uses known experiment values of the shock pressure and propagation velocity to estimate the initial mixing conditions of the experiment. The fuel and coolant were both considered compressible in this analysis. In KROTOS 26, 28, 29, and 30 the measured values of the shock pressure by the experiment were found to be higher than 25, 50, 100, and 100 Mpa respectively. Using the above data for the wave velocity and our best estimate for the values of the pressure, the predicted minimum values of the fragmented mass of the fuel were found to be 0.026. 0.04, 0.057, and 0.068 kg respectively. The predicted values of the work output corresponding to the above fragmented masses of the fuel were found to be 40, 84, 126, and 150 kJ respectively, with predicted initial void fractions of 112%, 12.5%, 8%, and 6% respectively.

  18. Experiments with neutron-rich isomeric beams

    International Nuclear Information System (INIS)

    Rykaczewski, K.; Lewitowicz, M.; Pfuetzner, M.

    1998-01-01

    A review of experimental results obtained on microsecond-isomeric states in neutron-rich nuclei produced in fragmentation reactions and studied with SISSI-Alpha-LISE3 spectrometer system at GANIL Caen is given. The perspectives of experiments based on secondary reactions with isomeric beams are presented

  19. Effect of humid-thermal environment on wave dispersion characteristics of single-layered graphene sheets

    Science.gov (United States)

    Ebrahimi, Farzad; Dabbagh, Ali

    2018-04-01

    In the present article, the hygro-thermal wave propagation properties of single-layered graphene sheets (SLGSs) are investigated for the first time employing a nonlocal strain gradient theory. A refined higher-order two-variable plate theory is utilized to derive the kinematic relations of graphene sheets. Here, nonlocal strain gradient theory is used to achieve a more precise analysis of small-scale plates. In the framework of the Hamilton's principle, the final governing equations are developed. Moreover, these obtained equations are deemed to be solved analytically and the wave frequency values are achieved. Some parametric studies are organized to investigate the influence of different variants such as nonlocal parameter, length scale parameter, wave number, temperature gradient and moisture concentration on the wave frequency of graphene sheets.

  20. Thermal Conditions in the City of Poznań (Poland during Selected Heat Waves

    Directory of Open Access Journals (Sweden)

    Marek Półrolniczak

    2018-01-01

    Full Text Available The aim of the study was to characterise the occurrence of hot days and heat waves in Poznań in the 1966–2015 period, as well as to describe the thermal conditions in the city during selected heat waves between 2008 and 2015. The basis of the study was the daily maximum and minimum air temperature values for Poznań–Ławica station from 1966–2015 and the daily values of air temperature from eight measuring points located in the city in various land types from 2008 to 2015. A hot day was defined as a day with Tmax above the 95th annual percentile (from 1966 to 2015, while a heat wave was assumed to be at least five consecutive hot days. The research study conducted shows the increase of Tmax, number of hot days and frequency of heat waves in Poznań over the last 50 years. Across the area of the city (differentiation of urban area types according to Urban Atlas 2012, there was a great diversity of thermal conditions during the heat waves analysed.

  1. Prospects for determination of thermal history after inflation with future gravitational wave detectors

    International Nuclear Information System (INIS)

    Kuroyanagi, Sachiko; Nakayama, Kazunori; Saito, Shun

    2011-01-01

    Thermal history of the Universe between inflation and big-bang nucleosynthesis has not yet been revealed observationally. It will be probed by the detection of primordial gravitational waves generated during inflation, which contain information on the reheating temperature as well as the equation of state of the Universe after inflation. Based on the Fisher information formalism, we examine how accurately the tensor-to-scalar ratio and reheating temperature after inflation can be simultaneously determined with space-based gravitational wave detectors such as the DECI-hertz Interferometer Gravitational-wave Observatory and the Big-Bang Observer. We show that the reheating temperature is best determined if it is around 10 7 GeV for tensor-to-scalar ratio of around 0.1, and explore the detectable parameter space. We also find that equation of state of the early Universe can be also determined accurately enough to distinguish different equation-of-state parameters if the inflationary gravitational waves are successfully detected. Thus, future gravitational wave detectors provide a unique and promising opportunity to reveal the thermal history of the Universe around 10 7 GeV.

  2. ICRF Wave Propagation and Absorption in Plasmas with Non-thermal Populations

    International Nuclear Information System (INIS)

    Dumont, R.J.; Phillips, C.K.; Smithe, D.N.

    2002-01-01

    Some results obtained with the one dimensional, all orders, full wave code METS, which has been successfully employed in the past to describe a number of experiments, are reported. By using massively parallel computers, this code has been extended to handle non-thermal populations. Various physical situations, in which non-Maxwellian species are expected to be encountered, are studied, such as simultaneous neutral beam injection and high harmonic fast wave electron heating or ion cyclotron resonance heating in the presence of fusion products

  3. Spin wave differential circuit for realization of thermally stable magnonic sensors

    Energy Technology Data Exchange (ETDEWEB)

    Goto, Taichi, E-mail: goto@ee.tut.ac.jp; Kanazawa, Naoki; Buyandalai, Altansargai; Takagi, Hiroyuki; Nakamura, Yuichi; Inoue, Mitsuteru [Department of Electrical and Electronic Information Engineering, Toyohashi University of Technology, 1-1 Hibari-Ga-Oka, Tempaku, Toyohashi, Aichi 441-8580 (Japan); Okajima, Shingo; Hasegawa, Takashi [Murata Manufacturing Co., Ltd., Kyoto 617-8555 (Japan); Granovsky, Alexander B. [Faculty of Physics, Moscow State University, Leninskie Gory, Moscow 119992 (Russian Federation); Sekiguchi, Koji [Department of Physics, Keio University, Yokohama 223-8522 (Japan); JST-PRESTO, Kawaguchi, Saitama 332-0012 (Japan); Ross, Caroline A. [Department of Materials Science and Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139 (United States)

    2015-03-30

    A magnetic-field sensor with a high sensitivity of 38 pT/Hz was demonstrated. By utilizing a spin-wave differential circuit (SWDC) using two yttrium iron garnet (YIG) films, the temperature sensitivity was suppressed, and the thermal stability of the phase of the spin waves was −0.0095° K{sup −1}, which is three orders of magnitude better than a simple YIG-based sensor, ∼20° K{sup −1}. The SWDC architecture opens the way to design YIG-based magnonic devices.

  4. Spin wave differential circuit for realization of thermally stable magnonic sensors

    International Nuclear Information System (INIS)

    Goto, Taichi; Kanazawa, Naoki; Buyandalai, Altansargai; Takagi, Hiroyuki; Nakamura, Yuichi; Inoue, Mitsuteru; Okajima, Shingo; Hasegawa, Takashi; Granovsky, Alexander B.; Sekiguchi, Koji; Ross, Caroline A.

    2015-01-01

    A magnetic-field sensor with a high sensitivity of 38 pT/Hz was demonstrated. By utilizing a spin-wave differential circuit (SWDC) using two yttrium iron garnet (YIG) films, the temperature sensitivity was suppressed, and the thermal stability of the phase of the spin waves was −0.0095° K −1 , which is three orders of magnitude better than a simple YIG-based sensor, ∼20° K −1 . The SWDC architecture opens the way to design YIG-based magnonic devices

  5. Geometrical Optimization Approach to Isomerization: Models and Limitations.

    Science.gov (United States)

    Chang, Bo Y; Shin, Seokmin; Engel, Volker; Sola, Ignacio R

    2017-11-02

    We study laser-driven isomerization reactions through an excited electronic state using the recently developed Geometrical Optimization procedure. Our goal is to analyze whether an initial wave packet in the ground state, with optimized amplitudes and phases, can be used to enhance the yield of the reaction at faster rates, driven by a single picosecond pulse or a pair of femtosecond pulses resonant with the electronic transition. We show that the symmetry of the system imposes limitations in the optimization procedure, such that the method rediscovers the pump-dump mechanism.

  6. Structural and spectral comparisons between isomeric benzisothiazole and benzothiazole based aromatic heterocyclic dyes

    Science.gov (United States)

    Wang, Yin-Ge; Wang, Yue-Hua; Tao, Tao; Qian, Hui-Fen; Huang, Wei

    2015-09-01

    A pair of isomeric heterocyclic compounds, namely 3-amino-5-nitro-[2,1]-benzisothiazole and 2-amino-6-nitrobenzothiazole, are used as the diazonium components to couple with two N-substituted 4-aminobenzene derivatives. As a result, two pairs of isomeric aromatic heterocyclic azo dyes have been produced and they are structurally and spectrally characterized and compared including single-crystal structures, electronic spectra, solvatochromism and reversible acid-base discoloration, thermal stability and theoretically calculations. It is concluded that both benzisothiazole and benzothiazole based dyes show planar molecular structures and offset π-π stacking interactions, solvatochromism and reversible acid-base discoloration. Furthermore, benzisothiazole based aromatic heterocyclic dyes exhibit higher thermal stability, larger solvatochromic effects and maximum absorption wavelengths than corresponding benzothiazole based ones, which can be explained successfully by the differences of their calculated isomerization energy, dipole moment and molecular band gaps.

  7. Modulation instability of ion thermal waves in a pair-ion plasma containing charged dust impurities

    International Nuclear Information System (INIS)

    Sabry, R.

    2008-01-01

    Modulation instability of ion thermal waves (ITWs) is investigated in a plasma composed of positive and negative ions as well as a fraction of stationary charged (positive or negative) dust impurities. For this purpose, a linear dispersion relation and a nonlinear Schroedinger equation are derived. The latter admits localized envelope solitary wave solutions of bright (pulses) and dark (holes, voids) type. The envelope soliton depends on the intrinsic plasma parameters. It is found that modulation instability of ITWs is significantly affected by the presence of positively/negatively charged dust grains. The findings of this investigation should be useful in understanding the stable electrostatic wave packet acceleration mechanisms in pair-ion plasma, and also enhances our knowledge on the occurrence of instability associated to the existence of charged dust impurities in pair-ion plasmas. Our results should be of relevance for laboratory plasmas.

  8. Thermal Aging Evaluation of Mod. 9Cr-1Mo Steel using Nonlinear Rayleigh Waves

    Energy Technology Data Exchange (ETDEWEB)

    Joo, Young-Sang; Kim, Hoe-Woong; Kim, Jong-Bum [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of); Marino, Daniel; Kim, Jin-Yeon; Jacobs, L.J [Georgia Institute of Technology, Atlanta (United States); Ruiz, Alberto [UMSNH, Morelia (Mexico)

    2014-10-15

    Thermal aging can pose a high risk to decreases in the mechanical properties such as strength or creep resistance. This can lead to an unexpected failure during long term operation. Nonlinear NDE techniques are preferred over conventional NDE techniques (linear ultrasonic measurements) because nonlinear ultrasonic techniques have shown their capability to detect a microstructural damage in the structures undergoing fatigue and creep. These nonlinear ultrasonic techniques make use of the fact that the dislocation density increases, which will create a nonlinear distortion of an ultrasonic wave; this damage causes the generation of measurable higher harmonic components in an initially mono-chromatic ultrasonic signal. This study investigates the recently developed non-contact nonlinear ultrasonic technique to detect the microstructural damage of mod. 9Cr-1Mo steel based on nonlinear Rayleigh wave with varying propagation distances. Nonlinear Rayleigh surface wave measurements using a non-contact, air-coupled ultrasonic transducer have been applied for the thermal aging evaluation of modified 9Cr-1Mo ferritic-martensitic steel. Thermal aging for various heat treatment times of mod.. 9Cr-1Mo steel specimens is performed to obtain the nucleation and growth of precipitated particles in specimens. The amplitudes of the first and second harmonics are measured along the propagation distance and the relative nonlinearity parameter is obtained from these amplitudes. The relative nonlinearity parameter shows a similar trend with the Rockwell C hardness.

  9. Laser induced purely-thermal-wave interferometry (PTWI) using a novel photopyroelectric (PPE) instrument

    Science.gov (United States)

    Wang, Chinhua

    A novel purely thermal-wave interferometric technique and its applications to non-contact and non-destructive evaluation of Ti:sapphire laser crystals, high-precision measurement of thermal diffusivity of gases, and high- sensitivity gas (hydrogen) sensors have been successfully developed both theoretically and experimentally. A comprehensive theoretical and experimental analysis of the system noise and detectivity has been conducted to consolidate the basis of the technique. Unlike the conventional single-ended photopyroelectric(PPE) technique, different thermal-wave interference patterns can be obtained by adjusting two incident beams (relative intensity and phase shift) and two thermal-wave cavities on both sides of a pyroelectric detector. It is found that the large base-line signal and large optical noise, which are encountered in the single- ended PPE scheme, can be coherently and completely suppressed in the fully destructive interferometric measurement. Differential surface absorptance, differential and absolute bulk absorption coefficient of Ti:sapphire laser crystals have been separately measured using an extended PPE-interference (PPEI) theory. Unlike the single-ended PPE method, in which thermal contributions from several optical parameters are always coupled together, the destructive interferometric: method provides a unique method for extracting precise values of one of these coupled parameters, without the need of equally precise knowledge of the values of others. The comparison measurement of thermal diffusivity of air using the single-ended PPE method and the PPEI method shows that the PPEI method enhances the measuring precision by one significant figure when compared with the single-beam method. The conventionally used concept of ``thermal-wave reflection coefficient'' has been extended to a more general case that is sample- thickness dependent. A novel hydrogen gas sensor has been initialized and developed based on the PPEI technique. It is

  10. Personal cooling with phase change materials to improve thermal comfort from a heat wave perspective.

    Science.gov (United States)

    Gao, C; Kuklane, K; Wang, F; Holmér, I

    2012-12-01

    The impact of heat waves arising from climate change on human health is predicted to be profound. It is important to be prepared with various preventive measures for such impacts on society. The objective of this study was to investigate whether personal cooling with phase change materials (PCM) could improve thermal comfort in simulated office work at 34°C. Cooling vests with PCM were measured on a thermal manikin before studies on human subjects. Eight male subjects participated in the study in a climatic chamber (T(a) = 34°C, RH = 60%, and ν(a) = 0.4 m/s). Results showed that the cooling effect on the manikin torso was 29.1 W/m(2) in the isothermal condition. The results on the manikin using a constant heating power mode reflect directly the local cooling effect on subjects. The results on the subjects showed that the torso skin temperature decreased by about 2-3°C and remained at 33.3°C. Both whole body and torso thermal sensations were improved. The findings indicate that the personal cooling with PCM can be used as an option to improve thermal comfort for office workers without air conditioning and may be used for vulnerable groups, such as elderly people, when confronted with heat waves. Wearable personal cooling integrated with phase change materials has the advantage of cooling human body's micro-environment in contrast to stationary personalized cooling and entire room or building cooling, thus providing greater mobility and helping to save energy. In places where air conditioning is not usually used, this personal cooling method can be used as a preventive measure when confronted with heat waves for office workers, vulnerable populations such as the elderly and disabled people, people with chronic diseases, and for use at home. © 2012 John Wiley & Sons A/S.

  11. Suspension-thermal noise in spring–antispring systems for future gravitational-wave detectors

    Science.gov (United States)

    Harms, Jan; Mow-Lowry, Conor M.

    2018-01-01

    Spring–antispring systems have been investigated in the context of low-frequency seismic isolation in high-precision optical experiments. These systems provide the possibility to tune the fundamental resonance frequency to, in principle, arbitrarily low values, and at the same time maintain a compact design. It was argued though that thermal noise in spring–antispring systems would not be as small as one may naively expect from lowering the fundamental resonance frequency. In this paper, we present calculations of suspension-thermal noise for spring–antispring systems potentially relevant in future gravitational-wave detectors, i.e. the beam-balance tiltmeter, and the Roberts linkage. We find a concise expression of the suspension-thermal noise spectrum, which assumes a form very similar to the well-known expression for a simple pendulum. For systems such as the Roberts linkage foreseen as passive seismic isolation, we find that while they can provide strong seismic isolation due to a very low fundamental resonance frequency, their thermal noise is determined by the dimension of the system and is insensitive to fine-tunings of the geometry that can strongly influence the resonance frequency. By analogy, i.e. formal similarity of the equations of motion, this is true for all horizontal mechanical isolation systems with spring–antispring dynamics. This imposes strict requirements on mechanical spring–antispring systems for seismic isolation in potential future low-frequency gravitational-wave detectors as we discuss for the four main concepts, atom-interferometric, superconducting, torsion-bars, and conventional laser interferometer, and generally suggests that thermal noise needs to be evaluated carefully for high-precision experiments implementing spring–antispring dynamics.

  12. Thermal characteristics of shape-stabilized phase change material wallboard with periodical outside temperature waves

    International Nuclear Information System (INIS)

    Zhou, Guobing; Yang, Yongping; Wang, Xin; Cheng, Jinming

    2010-01-01

    Thermal characteristics of shape-stabilized phase change material (SSPCM) wallboard with sinusoidal temperature wave on the outer surface were investigated numerically and compared with traditional building materials such as brick, foam concrete and expanded polystyrene (EPS). One-dimensional enthalpy equation under convective boundary conditions was solved using fully implicit finite-difference scheme. The simulation results showed that the SSPCM wallboard presents distinct characteristics from other ordinary building materials. Phase transition keeping time of inner surface and decrement factor were applied to analyze the effects of PCM thermophysical properties (melting temperature, heat of fusion, phase transition zone and thermal conductivity), inner surface convective heat transfer coefficient and thickness of SSPCM wallboard. It was found that melting temperature is one important factor which influences both the phase transition keeping time and the decrement factor; for a certain outside temperature wave, there exist critical values of latent heat of fusion and thickness of SSPCM above which the phase transition keeping time or the decrement factor are scarcely influenced; thermal conductivity of PCM and inner surface convective coefficient have little effect on the phase transition keeping time but significantly influence the decrement factor; and the phase transition zone leads to small fluctuations of the original flat segment of inner surface temperature line. The results aim to be useful for the selection of SSPCMs and their applications in passive solar buildings.

  13. Simulation of Thermal Processes in Metamaterial MM-to-IR Converter for MM-wave Imager

    International Nuclear Information System (INIS)

    Zagubisalo, Peter S; Paulish, Andrey G; Kuznetsov, Sergey A

    2014-01-01

    The main characteristics of MM-wave image detector were simulated by means of accurate numerical modelling of thermophysical processes in a metamaterial MM-to-IR converter. The converter represents a multilayer structure consisting of an ultra thin resonant metamaterial absorber and a perfect emissive layer. The absorber consists of a dielectric self-supporting film that is metallized from both sides. A micro-pattern is fabricated from one side. Resonant absorption of the MM waves induces the converter heating that yields enhancement of IR emission from the emissive layer. IR emission is detected by IR camera. In this contribution an accurate numerical model for simulation of the thermal processes in the converter structure was created by using COMSOL Multiphysics software. The simulation results are in a good agreement with experimental results that validates the model. The simulation shows that the real time operation is provided for the converter thickness less than 3 micrometers and time response can be improved by decreasing of the converter thickness. The energy conversion efficiency of MM waves into IR radiation is over 80%. The converter temperature increase is a linear function of a MM-wave radiation power within three orders of the dynamic range. The blooming effect and ways of its reducing are also discussed. The model allows us to choose the ways of converter structure optimization and improvement of image detector parameters

  14. Millimeter-Wave Thermal Analysis Development and Application to GEN IV Reactor Materials

    Energy Technology Data Exchange (ETDEWEB)

    Wosko, Paul; Sundram, S. K.

    2012-10-16

    New millimeter-wave thermal analysis instrumentation has been developed and studied for characterization of materials required for diverse fuel and structural needs in high temperature reactor environments such as the Next Generation Nuclear Plant (NGNP). A two-receiver 137 GHz system with orthogonal polarizations for anisotropic resolution of material properties has been implemented at MIT. The system was tested with graphite and silicon carbide specimens at temperatures up to 1300 ºC inside an electric furnace. The analytic and hardware basis for active millimeter-wave radiometry of reactor materials at high temperature has been established. Real-time, non contact measurement sensitivity to anisotropic surface emissivity and submillimeter surface displacement was demonstrated. The 137 GHz emissivity of reactor grade graphite (NBG17) from SGL Group was found to be low, ~ 5 %, in the 500 – 1200 °C range and increases by a factor of 2 to 4 with small linear grooves simulating fracturing. The low graphite emissivity would make millimeter-wave active radiometry a sensitive diagnostic of graphite changes due to environmentally induced stress fracturing, swelling, or corrosion. The silicon carbide tested from Ortek, Inc. was found to have a much higher emissivity at 137 GHz of ~90% Thin coatings of silicon carbide on reactor grade graphite supplied by SGL Group were found to be mostly transparent to millimeter-waves, increasing the 137 GHz emissivity of the coated reactor grade graphite to about ~14% at 1250 ºC.

  15. Thermal-hydraulic behaviors of vapor-liquid interface due to arrival of a pressure wave

    Energy Technology Data Exchange (ETDEWEB)

    Inoue, Akira; Fujii, Yoshifumi; Matsuzaki, Mitsuo [Tokyo Institute of Technology (Japan)

    1995-09-01

    In the vapor explosion, a pressure wave (shock wave) plays a fundamental role for triggering, propagation and enhancement of the explosion. Energy of the explosion is related to the magnitude of heat transfer rate from hot liquid to cold volatile one. This is related to an increasing rate of interface area and to an amount of transient heat flux between the liquids. In this study, the characteristics of transient heat transfer and behaviors of vapor film both on the platinum tube and on the hot melt tin drop, under same boundary conditions have been investigated. It is considered that there exists a fundamental mechanism of the explosion in the initial expansion process of the hot liquid drop immediately after arrival of pressure wave. The growth rate of the vapor film is much faster on the hot liquid than that on the solid surface. Two kinds of roughness were observed, one due to the Taylor instability, by rapid growth of the explosion bubble, and another, nucleation sites were observed at the vapor-liquid interface. Based on detailed observation of early stage interface behaviors after arrival of a pressure wave, the thermal fragmentation mechanism is proposed.

  16. Electron thermal conductivity from heat wave propagation in Wendelstein 7-AS

    Energy Technology Data Exchange (ETDEWEB)

    Giannone, L.; Erckmann, V; Gasparino, U; Hartfuss, H J; Kuehner, G; Maassberg, H; Stroth, U; Tutter, M [Association Euratom-Max-Planck-Institut fuer Plasmaphysik, Garching (Germany); W7-AS Team; ECRH Group IPF Stuttgart; Gyrotron Group KFK Karlsruhe

    1992-11-01

    Heat wave propagation experiments have been carried out on the Wendelstein 7-AS stellarator. The deposition of electron cyclotron resonance heating power is highly localized in the plasma centre, so that power modulation produces heat waves which propagate away from the deposition volume. Radiometry of the electron cyclotron emission is used to measure the generated temperature perturbation. The propagation time delay of the temperature perturbation as a function of distance to the power deposition region is used to determine the electron thermal conductivity [chi][sub e]. This value is then compared with the value determined by global power balance. In contrast to sawtooth propagation experiments in tokamaks, it is found that the value of [chi][sub e] from heat wave propagation is comparable to that calculated by power balance. In addition, inward propagating waves were produced by choosing a power deposition region away from the plasma centre. Experiments were carried out at 70 GHz in the ordinary mode and at 140 GHz in the extraordinary mode. Variations of the modulation power amplitude have demonstrated that the inferred value of [chi][sub e] is independent of the amplitude of the induced temperature perturbations. (author). 29 refs, 11 figs, 5 tabs.

  17. Molecular dynamics of shock waves in one-dimensional chains. II. Thermalization

    International Nuclear Information System (INIS)

    Straub, G.K.; Holian, B.L.; Petschek, R.G.

    1979-01-01

    The thermalization behavior behind a shock front in one-dimensional chains has been studied in a series of molecular-dynamics computer experiments. We have found that a shock wave generated in a chain initially at finite temperature has essentially the same characteristics as in a chain initially at zero temperature. We also find that the final velocity distribution function for particles behind the shock front is not the Maxwell-Boltzmann distribution for an equilibrium system of classical particles. For times long after the shock has passed, we propose a nonequilibrium velocity distribution which is based upon behavior in the harmonic and hard-rod limits and agrees with our numerical results. Temperature profiles for both harmonic and anharmonic chains are found to exhibit a long-time tail that decays inversely with time. Finally, we have run a computer experiment to generate what qualitatively resembles solitons in Toda chains by means of shock waves

  18. Thermal gravitational-wave background in the general pre-inflationary scenario

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Kai; Santos, Larissa; Zhao, Wen [CAS Key Laboratory for Researches in Galaxies and Cosmology, Department of Astronomy, University of Science and Technology of China, Chinese Academy of Sciences, Hefei, Anhui 230026 (China); Xia, Jun-Qing, E-mail: ljwk@mail.ustc.edu.cn, E-mail: larissa@ustc.edu.cn, E-mail: xiajq@bnu.edu.cn, E-mail: wzhao7@ustc.edu.cn [Department of Astronomy, Beijing Normal University, Beijing 100875 (China)

    2017-01-01

    We investigate the primordial gravitational waves (PGWs) in the general scenario where the inflation is preceded by a pre-inflationary stage with the effective equation of state w . Comparing with the results in the usual inflationary models, the power spectrum of PGWs is modified in two aspects: one is the mixture of the perturbation modes caused by he presence of the pre-inflationary period, and the other is the thermal initial state formed at the Planck era of the early Universe. By investigating the observational imprints of these modifications on the B-mode polarization of cosmic microwave background (CMB) radiation, we obtain the constraints on the conformal temperature of the thermal gravitational-wave background T <5.01× 10{sup −4} Mpc{sup −1} and a tensor-to-scalar ratio r <0.084 (95% confident level), which follows the bounds on total number of e-folds N >63.5 for the model with w =1/3, and N >65.7 for that with w =1. By taking into account various noises and the foreground radiations, we forecast the detection possibility of the thermal gravitational-wave background by the future CMBPol mission, and find that if r >0.01, the detection is possible as long as T >1.5× 10{sup −4} Mpc{sup −1}. However, the effect of different w is quite small, and it seems impossible to determine its value from the potential observations of CMBPol mission.

  19. Thermal decomposition of solder flux activators under simulated wave soldering conditions

    DEFF Research Database (Denmark)

    Piotrowska, Kamila; Jellesen, Morten Stendahl; Ambat, Rajan

    2017-01-01

    /methodology/approach: Changes in the chemical structure of the activators were studied using Fourier transform infrared spectroscopy technique and were correlated to the exposure temperatures within the range of wave soldering process. The amount of residue left on the surface was estimated using standardized acid-base...... titration method as a function of temperature, time of exposure and the substrate material used. Findings: The study shows that there is a possibility of anhydride-like species formation during the thermal treatment of fluxes containing weak organic acids (WOAs) as activators (succinic and DL...

  20. Space-based gravitational-wave detectors can determine the thermal history of the early Universe

    International Nuclear Information System (INIS)

    Nakayama, Kazunori; Saito, Shun; Suwa, Yudai; Yokoyama, Jun'ichi

    2008-01-01

    It is shown that space-based gravitational-wave detectors such as DECIGO and/or the Big Bang Observer will provide us with invaluable information on the cosmic thermal history after inflation, and they will be able to determine the reheat temperature T R provided that it lies in the range preferred by the cosmological gravitino problem, T R ∼10 5-9 GeV. Therefore it is strongly desired that they will be put into practice as soon as possible

  1. The effect of compressive viscosity and thermal conduction on the longitudinal MHD waves

    Science.gov (United States)

    Bahari, K.; Shahhosaini, N.

    2018-05-01

    longitudinal Magnetohydrodynamic (MHD) oscillations have been studied in a slowly cooling coronal loop, in the presence of thermal conduction and compressive viscosity, in the linear MHD approximation. WKB method has been used to solve the governing equations. In the leading order approximation the dispersion relation has been obtained, and using the first order approximation the time dependent amplitude has been determined. Cooling causes the oscillations to amplify and damping mechanisms are more efficient in hot loops. In cool loops the oscillation amplitude increases with time but in hot loops the oscillation amplitude decreases with time. Our conclusion is that in hot loops the efficiency of the compressive viscosity in damping longitudinal waves is comparable to that of the thermal conduction.

  2. A stability investigation of two-dimensional surface waves on evaporating, isothermal or condensing liquid films - Part I, Thermal non-equilibrium effects on wave velocity

    International Nuclear Information System (INIS)

    Chunxi, L.; Xuemin, Y.

    2004-01-01

    The temporal stability equation of the two-dimensional traveling waves of evaporating or condensing liquid films falling down on an inclined wall is established based on the Prandtl boundary layer theory and complete boundary conditions. The model indicates that the wave velocity is related to the effects of evaporating, isothermal and condensing states, thermo-capillarity, Reynolds number, fluid property and inclined angle, and the effects of above factors are distinctly different under different Reynolds numbers. The theoretical studies show that evaporation process induces the wave velocity to increase slightly compared with the isothermal case, and condensation process induces the wave velocity to decrease slightly. Furthermore, the wave velocity decreases because of the effects of thermo-capillarity under evaporation and increases because of the effects of thermo-capillarity under condensation. The effects of thermal non-equilibrium conditions have relatively obvious effects under lower Reynolds numbers and little effects under higher Reynolds numbers

  3. Lamb Wave Stiffness Characterization of Composites Undergoing Thermal-Mechanical Aging

    Science.gov (United States)

    Seale, Michael D.; Madaras, Eric I.

    2004-01-01

    The introduction of new, advanced composite materials into aviation systems requires a thorough understanding of the long term effects of combined thermal and mechanical loading upon those materials. Analytical methods investigating the effects of intense thermal heating combined with mechanical loading have been investigated. The damage mechanisms and fatigue lives were dependent on test parameters as well as stress levels. Castelli, et al. identified matrix dominated failure modes for out-of-phase cycling and fiber dominated damage modes for in-phase cycling. In recent years, ultrasonic methods have been developed that can measure the mechanical stiffness of composites. To help evaluate the effect of aging, a suitably designed Lamb wave measurement system is being used to obtain bending and out-of-plane stiffness coefficients of composite laminates undergoing thermal-mechanical loading. The system works by exciting an antisymmetric Lamb wave and calculating the velocity at each frequency from the known transducer separation and the measured time-of-flight. The same peak in the waveforms received at various distances is used to measure the time difference between the signals. The velocity measurements are accurate and repeatable to within 1% resulting in reconstructed stiffness values repeatable to within 4%. Given the material density and plate thickness, the bending and out-of-plane shear stiffnesses are calculated from a reconstruction of the dispersion curve. A mechanical scanner is used to move the sensors over the surface to map the time-of-flight, velocity, or stiffnesses of the entire specimen. Access to only one side of the material is required and no immersion or couplants are required because the sensors are dry coupled to the surface of the plate. In this study, the elastic stiffnesses D(sub 11), D(sub 22), A(sub 44), and A(sub 55) as well as time-of-flight measurements for composite samples that have undergone combined thermal and mechanical aging for

  4. Control of propagation characteristics of spin wave pulses via elastic and thermal effects

    Energy Technology Data Exchange (ETDEWEB)

    Gómez-Arista, Ivan [Centro de Ciencias Aplicadas y Desarrollo Tecnológico, Universidad Nacional Autónoma de México, CU, 04510 D.F., México (Mexico); Kolokoltsev, O., E-mail: oleg.kolokoltsev@ccadet.unam.mx [Centro de Ciencias Aplicadas y Desarrollo Tecnológico, Universidad Nacional Autónoma de México, CU, 04510 D.F., México (Mexico); Acevedo, A.; Qureshi, N. [Centro de Ciencias Aplicadas y Desarrollo Tecnológico, Universidad Nacional Autónoma de México, CU, 04510 D.F., México (Mexico); Ordóñez-Romero, César L. [Instituto de Física, Universidad Nacional Autónoma de México, CU, 04510 D.F., México (Mexico)

    2017-05-01

    A study of the magnetoelastic (ME) and thermal effects governing the phase (φ) and amplitude of magnetostatic surface spin wave (MSSW) pulses propagating in Ga:YIG/GGG and permalloy magnonic waveguides is presented. The ME effects were studied in a flexural configuration, under punctual mechanical force (F). Thermally induced ME and demagnetization phenomena were controlled by optically injected thermal power P{sub th}. It was determined that in an unclamped Ga:YIG waveguide, the force F that induces the phase shift Δφ=π, decreases by a quadratic law in the range from 1 mN to nN, and the P{sub th} at which Δφ=π decreases linearly from mW to μW as the waveguide volume decreases from mm{sup 3} to nm{sup 3}. For nano-volume waveguides the ME control energy (E{sub me}) can be of order of aJ, and the thermal control energy (ΔE{sub th}) can be as small as 50 fJ. The response time of these effects lies in the ns time scale. Both the mechanical and the thermo-magnetic forces provide an effective control of MSSW pulse amplitude, in addition to its phase shift. The thermo-magnetic effect allows one to realize variable delays of a MSSW pulse. - Highlights: • The Magneto-elastic (ME) and optically induced thermal effects governing the phase and amplitude of magnetostatic surface spin wave (MSSW) pulses propagating in Ga:YIG/GGG and permalloy magnonic waveguides are presented. • A mechanical force that causes phase shift Δφ=π for spin waves in the waveguides decreases by a quadratic law in the range from 1 mN to nN, and the optical power that induces the phase shift Δφ=π, decreases linearly from mW to μW as the waveguide volume decreases from mm{sup 3} to nm{sup 3}. • The response time of these effects can lie in the ns time scale.

  5. On Special Optical Modes and Thermal Issues in Advanced Gravitational Wave Interferometric Detectors

    Directory of Open Access Journals (Sweden)

    Vinet Jean-Yves

    2009-07-01

    Full Text Available The sensitivity of present ground-based gravitational wave antennas is too low to detect many events per year. It has, therefore, been planned for years to build advanced detectors allowing actual astrophysical observations and investigations. In such advanced detectors, one major issue is to increase the laser power in order to reduce shot noise. However, this is useless if the thermal noise remains at the current level in the 100 Hz spectral region, where mirrors are the main contributors. Moreover, increasing the laser power gives rise to various spurious thermal effects in the same mirrors. The main goal of the present study is to discuss these issues versus the transverse structure of the readout beam, in order to allow comparison. A number of theoretical studies and experiments have been carried out, regarding thermal noise and thermal effects. We do not discuss experimental problems, but rather focus on some theoretical results in this context about arbitrary order Laguerre–Gauss beams, and other “exotic” beams.

  6. Thermal-grating contributions to degenerate four-wave mixing in nitric oxide

    International Nuclear Information System (INIS)

    Danehy, P.M.; Paul, P.H.; Farrow, R.L.

    1995-01-01

    We report investigations of degenerate four-wave mixing (DFWM) line intensities in the A 2 Σ + left-arrow X 2 Π electronic transitions of nitric oxide. Contributions from population gratings (spatially varying perturbations in the level populations of absorbing species) and thermal gratings (spatially varying perturbations in the overall density) were distinguished and compared by several experimental and analytical techniques. For small quantities of nitric oxide in a strongly quenching buffer gas (carbon dioxide), we found that thermal-grating contributions dominated at room temperature for gas pressures of ∼0.5 atm and higher. In a nearly nonquenching buffer (nitrogen) the population-grating mechanism dominated at pressures of ∼1.0 atm and lower. At higher temperatures in an atmospheric-pressure methane/air flame, population gratings of nitric oxide also dominated. We propose a simple model for the ratio of thermal- to population-grating scattering intensities that varies as P 4 T -4.4 . Preliminary investigations of the temperature dependence and detailed studies of the pressure dependence are in agreement with this model. Measurements of the temporal evolution and the peak intensity of isolated thermal-grating signals are in detailed agreement with calculations based on a linearized hydrodynamic model [J. Opt. Soc. Am. B 12, 384 (1995)]. copyright 1995 Optical Society of America

  7. Regular square planer bis-(4,4,4-trifluoro-1-(thiophen-2-yl)butane-1,3-dione)/copper(II) complex: Trans/cis-DFT isomerization, crystal structure, thermal, solvatochromism, hirshfeld surface and DNA-binding analysis

    Science.gov (United States)

    Hema, M. K.; Karthik, C. S.; Warad, Ismail; Lokanath, N. K.; Zarrouk, Abdelkader; Kumara, Karthik; Pampa, K. J.; Mallu, P.

    2018-04-01

    Trans-[Cu(O∩O)2] complex, O∩O = 4,4,4-trifluoro-1-(thiophen-2-yl)butane-1,3-dione was reported with high potential toward CT-DNA binder. The solved XRD-structure of complex indicated a perfect regular square-planer geometry around the Cu(II) center. The trans/cis-DFT-isomerization calculation supported the XRD seen in reflecting the trans-isomer as the kinetic-favor isomer. The desired complex structure was also characterized by conductivity measurement, CHN-elemental analyses, MS, EDX, SEM, UV-Vis., FT-IR, HAS and TG/DTG. The Solvatochromism behavior of the complex was evaluated using four different polar solvents. MPE and Hirshfeld surface analysis (HSA) come to an agreement that fluoride and thiophene protons atoms are with suitable electro-potential environment to form non-classical H-bonds of type CThsbnd H⋯F. The DNA-binding properties were investigated by viscosity tests and spectrometric titrations, the results revealed the complex as strong calf-thymus DNA binder. High intrinsic-binding constants value ∼1.8 × 105 was collected.

  8. Easy Synthesis of Two Positional Isomeric Tetrazole Libraries

    NARCIS (Netherlands)

    Wang, Yuanze; Patil, Pravin; Dömling, Alexander

    2016-01-01

    A fast and efficient synthesis of libraries of positional isomeric 1H-tetrazoles and 5H-tetrazoles, for the purpose of testing binding hypothesis of isomeric tetrazoles in fragment-based drug discovery, is described.

  9. Non-equilibrium thermodynamics, heat transport and thermal waves in laminar and turbulent superfluid helium

    Science.gov (United States)

    Mongiovì, Maria Stella; Jou, David; Sciacca, Michele

    2018-01-01

    ballistic regimes, from isotropic to anisotropic situations, are analyzed, thus providing a wide range of practical applications. Besides the steady-state effective thermal conductivity, the propagation of harmonic waves is also studied, motivated by the fact that vortex line density is experimentally detected via the attenuation of second sound and because it provides dynamical information on heat transport and thermal waves which complement the static information of the thermal conductivity.

  10. Thermal analysis of a transmission line for Traveling Wave Tube TWT

    International Nuclear Information System (INIS)

    Chbiki, Mounir; Laraqi, Najib; Jarno, Jean-François; Herrewyn, Jacques; Silva Botelho, Tony da

    2012-01-01

    A new analytical method has been developed to study the delay line of Traveling Waves Tubes (TWT). Our study is focused on the analysis of the hot lines shrinking phenomenon. In the studied case, unlike brazed configuration, the contact areas are not perfect, resulting in a diminution of the heat transfer process. In this work, we highlight the influence of the macro-constriction on the heat transfer rate in the various parts of a TWT the geometry of which is also relatively complex. We propose in this work an analytical study of the thermal behavior of a transmission line in established regime. First, we determine the individual thermal resistance of each component. Secondly, we estimate the global resistance of the device according to the geometrical parameters and the respective conductivities of the various elements of this line. In this analytical model, we proceed to parametric studies in order to determine the geometrical configurations that will provide the lowest global thermal resistance. We will emphasize the potential gain according to the used materials and the increase of contact areas.

  11. Measurement of tissue-radiation dosage using a thermal steady-state elastic shear wave.

    Science.gov (United States)

    Chang, Sheng-Yi; Hsieh, Tung-Sheng; Chen, Wei-Ru; Chen, Jin-Chung; Chou, Chien

    2017-08-01

    A biodosimeter based on thermal-induced elastic shear wave (TIESW) in silicone acellular porcine dermis (SAPD) at thermal steady state has been proposed and demonstrated. A square slab SAPD treated with ionizing radiation was tested. The SAPD becomes a continuous homogeneous and isotropic viscoelastic medium due to the generation of randomly coiled collagen fibers formed from their bundle-like structure in the dermis. A harmonic TIESW then propagates on the surface of the SAPD as measured by a nanometer-scaled strain-stress response under thermal equilibrium conditions at room temperature. TIESW oscillation frequency was noninvasively measured in real time by monitoring the transverse displacement of the TIESW on the SAPD surface. Because the elastic shear modulus is highly sensitive to absorbed doses of ionizing radiation, this proposed biodosimeter can become a highly sensitive and noninvasive method for quantitatively determining tissue-absorbed dosage in terms of TIESW’s oscillation frequency. Detection sensitivity at 1 cGy and dynamic ranges covering 1 to 40 cGy and 80 to 500 cGy were demonstrated.

  12. Nonlinear electron-acoustic rogue waves in electron-beam plasma system with non-thermal hot electrons

    Science.gov (United States)

    Elwakil, S. A.; El-hanbaly, A. M.; Elgarayh, A.; El-Shewy, E. K.; Kassem, A. I.

    2014-11-01

    The properties of nonlinear electron-acoustic rogue waves have been investigated in an unmagnetized collisionless four-component plasma system consisting of a cold electron fluid, non-thermal hot electrons obeying a non-thermal distribution, an electron beam and stationary ions. It is found that the basic set of fluid equations is reduced to a nonlinear Schrodinger equation. The dependence of rogue wave profiles on the electron beam and energetic population parameter are discussed. The results of the present investigation may be applicable in auroral zone plasma.

  13. The effective reflection of a pulse sequence from a four-wave mirror with thermal nonlinearity under parametric feedback

    Science.gov (United States)

    Barashkov, M. S.; Bel'Diugin, I. M.; Zolotarev, M. V.; Kruzhilin, Iu. I.; Krymskii, M. I.

    1989-04-01

    A four-wave mirror with thermal nonlinearity has been experimentally realized with the interaction of corunning waves under parametric feedback with a nonreciprocal element. The effective reflection of a sequence of pulses with duration of about 300 ns from a neodymium-glass laser with maximal reflection coefficients greater than 30 has been demonstrated. The quality of the radiation reflected from the mirror is studied. A significant reduction in the steady-state lasing threshold has been shown with thermal nonlinearity at small angles of the interacting beam convergence, compared to the case of counterrunning convergence.

  14. Formation, isomerization, and derivatization of keggin tungstoaluminates.

    Science.gov (United States)

    Jennifer J. Cowan; Alan J. Bailey; Robert A. Heintz; Bao T. Do; Kenneth I. Hardcastle; Craig L. Hill; Ira A. Weinstock

    2001-01-01

    Trends in the stability of ¥á and ©¬-Keggin heteropolytungstates of the second-row main-group heteroatoms Al(III), Si(IV), and P(V) are elaborated by data that establish the roles of kinetic and thermodynamic control in the formation and isomerization of Keggin tungstoaluminates. Slow, room-temperature co-...

  15. Isomeric periodic mesoporous organosilicas with controllable properties

    NARCIS (Netherlands)

    Vercaemst, C.; Ide, I.; Friedrich, H.; de Jong, K.P.; Verpoort, F.; van der Voort, P.

    2009-01-01

    The synthesis procedure for isomeric periodic mesoporous organosilicas with E-configured ethenylene bridges was investigated using the homemade pure E-isomer of 1,2-bis(triethoxysilyl)ethene. The pH, aging temperature and the presence of cosolvents played a key role in obtaining well-ordered

  16. Trimethylphosphide isomerization in lanthanum ions presence

    International Nuclear Information System (INIS)

    Zacharias, M.A.; Massabni, A.M.G.

    1984-01-01

    The integration between the trimethilphosphide and the lanthanum ions carry to the formation of solid complexes in a relation of 6:1 where the ligand is the phosphonate what is resultant of the isomerization of trimetylphosphite. By the RMN -1 H and infra-red spectra the products were characterized. (L.M.J.) [pt

  17. Iodine-Catalyzed Isomerization of Dimethyl Muconate

    Energy Technology Data Exchange (ETDEWEB)

    Settle, Amy E [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Berstis, Laura R [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Zhang, Shuting [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Rorrer, Nicholas [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Hu, Haiming [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Richards, Ryan [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Beckham, Gregg T [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Crowley, Michael F [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Vardon, Derek R [National Renewable Energy Laboratory (NREL), Golden, CO (United States)

    2018-04-12

    cis,cis-Muconic acid is a platform biobased chemical that can be upgraded to drop-in commodity and novel monomers. Among the possible drop-in products, dimethyl terephthalate can be synthesized via esterification, isomerization, Diels-Alder cycloaddition, and dehydrogenation. The isomerization of cis,cis-dimethyl muconate (ccDMM) to the trans,trans-form (ttDMM) can be catalyzed by iodine; however, studies have yet to address (i) the mechanism and reaction barriers unique to DMM, and (ii) the influence of solvent, potential for catalyst recycle, and recovery of high-purity ttDMM. To address this gap, we apply a joint computational and experimental approach to investigate iodine-catalyzed isomerization of DMM. Density functional theory calculations identified unique regiochemical considerations due to the large number of halogen-diene coordination schemes. Both transition state theory and experiments estimate significant barrier reductions with photodissociated iodine. Solvent selection was critical for rapid kinetics, likely due to solvent complexation with iodine. Under select conditions, ttDMM yields of 95% were achieved in <1 h with methanol, followed by high purity recovery (>98%) with crystallization. Lastly, post-reaction iodine can be recovered and recycled with minimal loss of activity. Overall, these findings provide new insight into the mechanism and conditions necessary for DMM isomerization with iodine to advance the state-of-the-art for biobased chemicals.

  18. Crystal structure of isomeric boron difluoride acetylnaphtholates

    International Nuclear Information System (INIS)

    Bukvetskij, B.V.; Fedorenko, E.V.; Mirochnik, A.G.; Karasev, V.E.

    2006-01-01

    Crystal structures of luminescent isomeric acetylnaphtholates of boron difluoride are investigated. Full X-ray structural analysis is done at 293 K. Coordinated of atoms, bond angles, bond lengths, interatomic distances are determined. Results of comparative evaluations of the isomers are represented [ru

  19. Thermal wave interference with high-power VCSEL arrays for locating vertically oriented subsurface defects

    Science.gov (United States)

    Thiel, Erik; Kreutzbruck, Marc; Studemund, Taarna; Ziegler, Mathias

    2018-04-01

    Among the photothermal methods, full-field thermal imaging is used to characterize materials, to determine thicknesses of layers, or to find inhomogeneities such as voids or cracks. The use of classical light sources such as flash lamps (impulse heating) or halogen lamps (modulated heating) led to a variety of nondestructive testing methods, in particular, lock-in and flash-thermography. In vertical-cavity surface-emitting lasers (VCSELs), laser light is emitted perpendicularly to the surface with a symmetrical beam profile. Due to the vertical structure, they can be arranged in large arrays of many thousands of individual lasers, which allows power scaling into the kilowatt range. Recently, a high-power yet very compact version of such a VCSEL-array became available that offers both the fast timing behavior of a laser as well as the large illumination area of a lamp. Moreover, it allows a spatial and temporal control of the heating because individual parts of the array can be controlled arbitrarily in frequency, amplitude, and phase. In conjunction with a fast infrared camera, such structured heating opens up a field of novel thermal imaging and testing methods. As a first demonstration of this approach, we chose a testing problem very challenging to conventional thermal infrared testing: The detection of very thin subsurface defects perpendicularly oriented to the surface of metallic samples. First, we generate destructively interfering thermal wave fields, which are then affected by the presence of defects within their reach. It turned out that this technique allows highly sensitive detection of subsurface defects down to depths in excess of the usual thermographic rule of thumb, with no need for a reference or surface preparation.

  20. Kinetic Alfven Waves and the Depletion of the Thermal Population in Extragalactic Jets

    Science.gov (United States)

    Jafelice, L. C.; Opher, R.

    1990-11-01

    evident that both problems are intimately related to one another. Jafe- lice and Opher (1987a)(Astrophys. Space Sci. 137, 303)showed that an abundant generation of kinetic Alfven waves (KAw) within EJ and ERS is expected. In the present work we study the chain of processes: a) KAW accelerate thermal electrons along the background magnetic field producing suprathermal runaway electrons; b) which generate Langmuir waves and c) which in turn further accelerate a fraction of the runaway electrons to moderately relativistic energies. We show that assuming that there is no other source of a thermal population but the original one, the above sequence of processes can account for the consumption of thermal electrons in a time scale the source lifetime. Key o : GALAXIES-JETS - HYDROMAGNETICS

  1. Cat's claw oxindole alkaloid isomerization induced by common extraction methods

    Directory of Open Access Journals (Sweden)

    Samuel Kaiser

    2013-01-01

    Full Text Available Cat's claw oxindole alkaloids are prone to isomerization in aqueous solution. However, studies on their behavior in extraction processes are scarce. This paper addressed the issue by considering five commonly used extraction processes. Unlike dynamic maceration (DM and ultrasound-assisted extraction, substantial isomerization was induced by static maceration, turbo-extraction and reflux extraction. After heating under reflux in DM, the kinetic order of isomerization was established and equations were fitted successfully using a four-parameter Weibull model (R² > 0.999. Different isomerization rates and equilibrium constants were verified, revealing a possible matrix effect on alkaloid isomerization.

  2. Variational integrators for the dynamics of thermo-elastic solids with finite speed thermal waves

    International Nuclear Information System (INIS)

    Mata, Pablo; Lew, Adrian J.

    2014-01-01

    This paper formulates variational integrators for finite element discretizations of deformable bodies with heat conduction in the form of finite speed thermal waves. The cornerstone of the construction consists in taking advantage of the fact that the Green–Naghdi theory of type II for thermo-elastic solids has a Hamiltonian structure. Thus, standard techniques to construct variational integrators can be applied to finite element discretizations of the problem. The resulting discrete-in-time trajectories are then consistent with the laws of thermodynamics for these systems: for an isolated system, they exactly conserve the total entropy, and nearly exactly conserve the total energy over exponentially long periods of time. Moreover, linear and angular momenta are also exactly conserved whenever the exact system does. For definiteness, we construct an explicit second-order accurate algorithm for affine tetrahedral elements in two and three dimensions, and demonstrate its performance with numerical examples

  3. Thermal damage produced by high-irradiance continuous wave CO2 laser cutting of tissue.

    Science.gov (United States)

    Schomacker, K T; Walsh, J T; Flotte, T J; Deutsch, T F

    1990-01-01

    Thermal damage produced by continuous wave (cw) CO2 laser ablation of tissue in vitro was measured for irradiances ranging from 360 W/cm2 to 740 kW/cm2 in order to investigate the extent to which ablative cooling can limit tissue damage. Damage zones thinner than 100 microns were readily produced using single pulses to cut guinea pig skin as well as bovine cornea, aorta, and myocardium. Multiple pulses can lead to increased damage. However, a systematic decrease in damage with irradiance, predicted theoretically by an evaporation model of ablation, was not observed. The damage-zone thickness was approximately constant around the periphery of the cut, consistent with the existence of a liquid layer which stores heat and leads to tissue damage, and with a model of damage and ablation recently proposed by Zweig et al.

  4. Molecular isomerization induced by ultrashort infrared pulses. II. Pump-dump isomerization using pairs of time-delayed half-cycle pulses.

    Science.gov (United States)

    Uiberacker, Christoph; Jakubetz, Werner

    2004-06-22

    We investigate population transfer across the barrier in a double-well potential, induced by a pair of time-delayed single-lobe half-cycle pulses. We apply this setup both to a one-dimensional (1D) quartic model potential and to a three-dimensional potential representing HCN-->HNC isomerization. Overall the results for the two systems are similar, although in the 3D system some additional features appear not seen in the 1D case. The generic mechanism of population transfer is the preparation by the pump pulse of a wave packet involving delocalized states above the barrier, followed by the essentially 1D motion of the delocalized part of wave packet across the barrier, and the eventual de-excitation by the dump pulse to localized states in the other well. The correct timing is given by the well-to-well passage time of the wave packet and its recurrence properties, and by the signs of the field lobes which determine the direction and acceleration or deceleration of the wave packet motion. In the 3D system an additional pump-pump-dump mechanism linked to wave packet motion in the reagent well can mediate isomerization. Since the transfer time and the pulse durations are of the same order of magnitude, there is also a marked dependence of the dynamics and the transfer yield on the pulse duration. Our analysis also sheds light on the pronounced carrier envelope phase dependence previously observed for isomerization and molecular dissociation with one-cycle and sub-one-cycle pulses. (c) 2004 American Institute of Physics.

  5. Is isomerism a risk factor for intestinal volvulus?

    Science.gov (United States)

    Landisch, Rachel M; Loomba, Rohit S; Salazar, Jose H; Buelow, Matthew W; Frommelt, Michele; Anderson, Robert H; Wagner, Amy J

    2018-03-06

    Isomerism, or heterotaxy syndrome, affects many organ systems anatomically and functionally. Intestinal malrotation is common in patients with isomerism. Despite a low reported risk of volvulus, some physicians perform routine screening and prophylactic Ladd procedures on asymptomatic patients with isomerism who are found to have intestinal malrotation. The primary aim of this study was to determine if isomerism is an independent risk factor for volvulus. Kid's Inpatient Database data from 1997 to 2012 was utilized for this study. Characteristics of admissions with and without isomerism were compared with a particular focus on intestinal malrotation, volvulus, and Ladd procedure. A logistic regression was conducted to determine independent risk factors for volvulus with respect to isomerism. 15,962,403 inpatient admissions were included in the analysis, of which 7970 (0.05%) patients had isomerism, and 6 patients (0.1%) developed volvulus. Isomerism was associated with a 52-fold increase in the odds of intestinal malrotation by univariate analysis. Of 251 with isomerism and intestinal malrotation, only 2.4% experienced volvulus. Logistic regression demonstrated that isomerism was not an independent risk factor for volvulus. Isomerism is associated with an increased risk of intestinal malrotation but is not an independent risk factor for volvulus. Prognosis study. Level III. Copyright © 2018 Elsevier Inc. All rights reserved.

  6. Heat transfer through the thermal skin of a cooling pond with waves

    International Nuclear Information System (INIS)

    Wesely, M.L.

    1979-01-01

    The temperature drop measured across the cool skin of a cooling pond is examined for 64 10-min data collection periods taken with wind speeds of 3--8.5 m s -1 (effectively at a height of 10 m) and surface temperatures of 18 0 --37.5 0 C. The total heat transfer through the skin is found with the use of bulk aerodynamic estimates of the latent and sensible heat flux densities and empirical expressions for the long-wave radiation exchange at the surface. Although it is questionable to describe the characteristics of a surface with waves by use of formulae derived partially on the assumption that a rigid boundary exists at the air-water interface, the parameterizations that result seem on the average to perform quite well. For example, values of the numerical proportionally coefficient lambda [Saunders, 1967], which relates the total heat transfer to the temperature drop, increase slightly from 6 to 7 as water temperature increases; these values are near those reported previously. No variation of lambda with wind speed is detected. If lambda is replaced by a numerical coefficient that also takes into account the difference of the thicknesses of the thermal and viscous sublayers, the new coefficient Λapprox. =lambdaPr/sup 1/3/, where Pr is the Prandtl number, does not vary significantly with temperature of the surface skin

  7. PIC simulation of a thermal anisotropy-driven Weibel instability in a circular rarefaction wave

    International Nuclear Information System (INIS)

    Dieckmann, M E; Sarri, G; Kourakis, I; Borghesi, M; Murphy, G C; O'C Drury, L; Bret, A; Romagnani, L; Ynnerman, A

    2012-01-01

    The expansion of an initially unmagnetized planar rarefaction wave has recently been shown to trigger a thermal anisotropy-driven Weibel instability (TAWI), which can generate magnetic fields from noise levels. It is examined here whether the TAWI can also grow in a curved rarefaction wave. The expansion of an initially unmagnetized circular plasma cloud, which consists of protons and hot electrons, into a vacuum is modelled for this purpose with a two-dimensional particle-in-cell (PIC) simulation. It is shown that the momentum transfer from the electrons to the radially accelerating protons can indeed trigger a TAWI. Radial current channels form and the aperiodic growth of a magnetowave is observed, which has a magnetic field that is oriented orthogonal to the simulation plane. The induced electric field implies that the electron density gradient is no longer parallel to the electric field. Evidence is presented here that this electric field modification triggers a second magnetic instability, which results in a rotational low-frequency magnetowave. The relevance of the TAWI is discussed for the growth of small-scale magnetic fields in astrophysical environments, which are needed to explain the electromagnetic emissions by astrophysical jets. It is outlined how this instability could be examined experimentally. (paper)

  8. PIC simulation of a thermal anisotropy-driven Weibel instability in a circular rarefaction wave

    Science.gov (United States)

    Dieckmann, M. E.; Sarri, G.; Murphy, G. C.; Bret, A.; Romagnani, L.; Kourakis, I.; Borghesi, M.; Ynnerman, A.; O'C Drury, L.

    2012-02-01

    The expansion of an initially unmagnetized planar rarefaction wave has recently been shown to trigger a thermal anisotropy-driven Weibel instability (TAWI), which can generate magnetic fields from noise levels. It is examined here whether the TAWI can also grow in a curved rarefaction wave. The expansion of an initially unmagnetized circular plasma cloud, which consists of protons and hot electrons, into a vacuum is modelled for this purpose with a two-dimensional particle-in-cell (PIC) simulation. It is shown that the momentum transfer from the electrons to the radially accelerating protons can indeed trigger a TAWI. Radial current channels form and the aperiodic growth of a magnetowave is observed, which has a magnetic field that is oriented orthogonal to the simulation plane. The induced electric field implies that the electron density gradient is no longer parallel to the electric field. Evidence is presented here that this electric field modification triggers a second magnetic instability, which results in a rotational low-frequency magnetowave. The relevance of the TAWI is discussed for the growth of small-scale magnetic fields in astrophysical environments, which are needed to explain the electromagnetic emissions by astrophysical jets. It is outlined how this instability could be examined experimentally.

  9. A universal mirror wave-mode threshold condition for non-thermal space plasma environments

    Directory of Open Access Journals (Sweden)

    M. P. Leubner

    2002-01-01

    Full Text Available Magnetic fluctuations are recognized in a large variety of space plasmas by increasingly high resolution, in situ observations as mirror wave mode structures. A typical requirement for the excitation of mirror modes is a dominant perpendicular pressure in a high-beta plasma environment. Contrary, we demonstrate from a realistic kinetic analysis how details of the velocity space distributions are of considerable significance for the instability threshold. Introducing the most common characteristics of observed ion and electron distributions by a mixed suprathermal-loss-cone, we derive a universal mirror instability criterion from an energy principle for collisionless plasmas. As a result, the transition from two temperature Maxwellians to realistic non-thermal features provides a strong source for the generation of mirror wave mode activity, reducing drastically the instability threshold. In particular, a number of space-related examples illuminate how the specific structure of the velocity space distribution dominates as a regulating excitation mechanism over the effects related to changes in the plasma parameters.

  10. Covariant kinetic dispersion theory of linear transverse waves parallel propagating in magnetized plasmas with thermal anisotropy

    International Nuclear Information System (INIS)

    Lazar, M.; Schlickeiser, R.

    2006-01-01

    The properties of transverse waves parallel propagating in magnetized plasmas with arbitrary composition and thermally anisotropic, are investigated on the basis of relativistic Vlasov-Maxwell equations. The transverse dispersion relations for plasmas with arbitrary distribution functions are derived. These dispersion relations describe the linear response of the system to the initial perturbations and thus define all existing linear (transverse) plasma modes in the system. By analytic continuation the dispersion relations in the whole complex frequency plane are constructed. Further analysis is restricted to the important case of anisotropic bi-Maxwellian equilibrium plasma distribution functions. Explicit forms of the relativistically correct transverse dispersion relations are derived that hold for any values of the plasma temperatures and the temperature anisotropy. In the limit of nonrelativistic plasma temperatures the dispersion relations are expressed in terms of plasma dispersion function, however, the dependence on frequency and wave numbers is markedly different from the standard noncovariant nonrelativistic analysis. Only in the strictly unphysical formal limit of an infinitely large speed of light, c→∞, does the nonrelativistic dispersion relations reduce to the standard noncovariant dispersion relations

  11. Switching of the Spin-Density-Wave in CeCoIn5 probed by Thermal Conductivity

    Science.gov (United States)

    Kim, Duk Y.; Lin, Shi-Zeng; Weickert, Franziska; Bauer, Eric D.; Ronning, Filip; Thompson, Joe D.; Movshovich, Roman

    Unconventional superconductor CeCoIn5 orders magnetically in a spin-density-wave (SDW) in the low-temperature and high-field corner of the superconducting phase. Recent neutron scattering experiment revealed that the single-domain SDW's ordering vector Q depends strongly on the direction of the magnetic field, switching sharply as the field is rotated through the anti-nodal direction. This switching may be manifestation of a pair-density-wave (PDW) p-wave order parameter, which develops in addition to the well-established d-wave order parameter due to the SDW formation. We have investigated the hypersensitivity of the magnetic domain with a thermal conductivity measurement. The heat current (J) was applied along the [110] direction such that the Q vector is either perpendicular or parallel to J, depending on the magnetic field direction. A discontinuous change of the thermal conductivity was observed when the magnetic field is rotated around the [100] direction within 0 . 2° . The thermal conductivity with the Q parallel to the heat current (J ∥Q) is approximately 15% lager than that with the Q perpendicular to the heat current (J ⊥Q). This result is consistent with additional gapping of the nodal quasiparticle by the p-wave PDW coupled to SDW. Work at Los Alamos was performed under the auspices of the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering.

  12. Characterizing gamma fields using isomeric activation ratios

    Science.gov (United States)

    Venkataraman, Ramkumar; Fleming, Ronald F.

    1994-12-01

    Isomeric activities were induced in indium by gamma irradiation in three different gamma fields, through the reactions 115In(γ, γ') 115mIn and 113In(γ, γ') 113mIn. The irradiation fields were (i) the 15 kCi 60Co source available in the University, (ii) the spent fuel gamma irradiator in the pool of the University's Ford Nuclear Reactor (FNR) and (iii) south face of the core of the FNR during routine shut downs. Isomeric activation ratios can serve to characterize gamma fields, provided the response functions of the two (γ, γ') reactions sample different energy regimes of the gamma spectrum present in the irradiation fields. The response of an isomeric activation detector, in turn, depends on the number of activation energy levels of the nuclide and the probabilities with which the activation levels de-populate to the isomeric level. The reaction rate ratio RIn115m/ RIn113m was measured in the three gamma fields. The measured ratios were (i) 1.210 ± 0.011 in the 60Co source, (ii) 1.314 ± 0.060 in the spent fuel gamma irradiator and (iii) 1.298 ± 0.039 in a location alongside the FNR core during routine shut downs. The measured reaction rate ratios are not only close to each other, but close to unity as well. This indicates that the excitation functions for the reactions 115In(γ, γ') 115mIn and 113In(γ, γ') 113mIn have similar shapes and that for the nuclides 115In and 113In, the number of activation energy levels and the probabilities with which they populate the isomeric levels are very similar to each other. Thus, the ratio RIn115m/ RIn113m will not yield any information regarding the shape of gamma spectrum in the field of measurement. However by choosing (γ, γ') reactions with different shapes for the excitation functions one can measure a set of isomeric activation ratios that characterize a given gamma field.

  13. Effects of vortex-like and non-thermal ion distributions on non-linear dust-acoustic waves

    International Nuclear Information System (INIS)

    Mamun, A.A.; Cairns, R.A.; Shukla, P.K.

    1996-01-01

    The effects of vortex-like and non-thermal ion distributions are incorporated in the study of nonlinear dust-acoustic waves in an unmagnetized dusty plasma. It is found that owing to the departure from the Boltzmann ion distribution to a vortex-like phase space distribution, the dynamics of small but finite amplitude dust-acoustic waves is governed by a modified Kortweg endash de Vries equation. The latter admits a stationary dust-acoustic solitary wave solution, which has larger amplitude, smaller width, and higher propagation velocity than that involving adiabatic ions. On the other hand, consideration of a non-thermal ion distribution provides the possibility of coexistence of large amplitude rarefactive as well as compressive dust-acoustic solitary waves, whereas these structures appear independently when the wave amplitudes become infinitely small. The present investigation should help us to understand the salient features of the non-linear dust-acoustic waves that have been observed in a recent numerical simulation study. copyright 1996 American Institute of Physics

  14. Lamb wave characterization of the effects of long-term thermal-mechanical aging on composite stiffness

    Science.gov (United States)

    Seale, M. D.; Madaras, E. I.

    1999-01-01

    Lamb waves offer a promising method of evaluating damage in composite materials. The Lamb wave velocity is directly related to the material parameters, so an effective tool exists to monitor damage in composites by measuring the velocity of these waves. The Lamb Wave Imager (LWI) uses a pulse/receive technique that excites an antisymmetric Lamb mode and measures the time-of-flight over a wide frequency range. Given the material density and plate thickness, the bending and out-of-plane shear stiffnesses are calculated from a reconstruction of the dispersion curve. In this study, the time-of-flight as well as the elastic stiffnesses D11, D22, A44, and A55 for composite samples which have undergone combined thermal and mechanical aging are obtained. The samples examined include a baseline specimen with 0 cycles, specimens which have been aged 2350 and 3530 cycles at high strain levels, and one specimen aged 3530 cycles at low strain levels.

  15. Isomerization of C[sub 4] alkenes

    Science.gov (United States)

    Smith, L.A. Jr.

    1984-11-13

    A method is described for isomerizing isobutene or n-butene to produce a mixture of isobutene and normal butene, and polymerizing at least a portion thereof to produce isobutene/n-butene co-dimer, which comprises feeding at least 80 weight % of either the isobutene or n-butene to a catalytic distillation reactor containing a fixed bed acidic cation exchange resin catalyst packing which provides both the catalyst sites and distillation sites for the reaction products, isomerizing a portion of the isobutene or n-butene to produce a mixture of isobutene and n-butene and reacting at least a portion of the isobutene and n-butene to form co-dimer of isobutene and n-butene, whereby an overhead fraction containing any unreacted isobutene and n-butene and a bottoms fraction containing co-dimer is produced. The result of the reaction is substantially the same regardless whether the feed is isobutene or n-butene. Other aspects of the invention, include combinations of procedures to produce high purity isobutene and n-butene. Either isobutene or n-butene product (depending on the desired product) can be recycled as feed, thus substantially carrying out the isomerization to extinction and total conversion to the desired product. 1 fig.

  16. Thermal infrared sounding observations of lower atmospheric variances at Mars and their implications for gravity wave activity: a preliminary examination

    Science.gov (United States)

    Heavens, N. G.

    2017-12-01

    It has been recognized for over two decades that the mesoscale statistical variance observed by Earth-observing satellites at temperature-sensitive frequencies above the instrumental noise floor is a measure of gravity wave activity. These types of observation have been made by a variety of satellite instruments have been an important validation tool for gravity wave parameterizations in global and mesoscale models. At Mars, the importance of topographic and non-topographic sources of gravity waves for the general circulation is now widely recognized and the target of recent modeling efforts. However, despite several ingenious studies, gravity wave activity near hypothetical lower atmospheric sources has been poorly and unsystematically characterized, partly because of the difficulty of separating the gravity wave activity from baroclinic wave activity and the thermal tides. Here will be presented a preliminary analysis of calibrated radiance variance at 15.4 microns (635-665 cm-1) from nadir, off-nadir, and limb observations by the Mars Climate Sounder on board Mars Reconnaissance Orbiter. The overarching methodology follows Wu and Waters (1996, 1997). Nadir, off-nadir, and lowest detector limb observations should sample variability with vertical weighting functions centered high in the lower atmosphere (20-30 km altitude) and full width half maximum (FWHM) 20 km but be sensitive to gravity waves with different horizontal wavelengths and slightly different vertical wavelengths. This work is supported by NASA's Mars Data Analysis Program (NNX14AM32G). References Wu, D.L. and J.W. Waters, 1996, Satellite observations of atmospheric variances: A possible indication of gravity waves, GRL, 23, 3631-3634. Wu D.L. and J.W. Waters, 1997, Observations of Gravity Waves with the UARS Microwave Limb Sounder. In: Hamilton K. (eds) Gravity Wave Processes. NATO ASI Series (Series I: Environmental Change), vol 50. Springer, Berlin, Heidelberg.

  17. Probing thermal evanescent waves with a scattering-type near-field microscope

    International Nuclear Information System (INIS)

    Kajihara, Y; Kosaka, K; Komiyama, S

    2011-01-01

    Long wavelength infrared (LWIR) waves contain many important spectra of matters like molecular motions. Thus, probing spontaneous LWIR radiation without external illumination would reveal detailed mesoscopic phenomena that cannot be probed by any other measurement methods. Here we developed a scattering-type scanning near-field optical microscope (s-SNOM) and demonstrated passive near-field microscopy at 14.5 µm wavelength. Our s-SNOM consists of an atomic force microscope and a confocal microscope equipped with a highly sensitive LWIR detector, called a charge-sensitive infrared phototransistor (CSIP). In our s-SNOM, photons scattered by a tungsten probe are collected by an objective of the confocal LWIR microscope and are finally detected by the CSIP. To suppress the far-field background, we vertically modulated the probe and demodulated the signal with a lock-in amplifier. With the s-SNOM, a clear passive image of 3 µm pitch Au/SiC gratings was successfully obtained and the spatial resolution was estimated to be 60 nm (λ/240). The radiation from Au and GaAs was suggested to be due to thermally excited charge/current fluctuations and surface phonons, respectively. This s-SNOM has the potential to observe mesoscopic phenomena such as molecular motions, biomolecular protein interactions and semiconductor conditions in the future

  18. Thermal effect on the thermomechanical behavior of contacts in a Traveling Wave Tube

    Directory of Open Access Journals (Sweden)

    Chbiki Mounir

    2016-01-01

    Full Text Available A new elasto-plastic study of the contact between the helix and the rods of the delay line of Traveling Waves Tubes (TWT was realized. Our study is focused on the analysis of the hot lines shrinking phenomenon. In the studied case, unlike brazed configuration, the contact areas are not perfect, resulting in a diminution of the heat transfer process. In order to maximize the contact area and to homogenize the contact pressure, a soft thermal conductive material is coated on the helix: copper was chosen for this study. In the present work, an analytical model is used to identify the properties of the copper coating at a given temperature. We focused on the mechanical properties in order to improve the assembly process with a better numerical study. Experimental method have been made to validate the proposed model. The first comparison results seem to indicate that the model represents the reality with a good agreement. It is very clearly shown that the temperature decreases the mechanical properties. (Young’s modulus, yield strength, tensile strength…. And the thickness of the coating increases the contact area. This last point is less important at room temperature (6% of increase than at 140°C (22%.

  19. Spin-wave thermal population as temperature probe in magnetic tunnel junctions

    Energy Technology Data Exchange (ETDEWEB)

    Le Goff, A., E-mail: adrien.le-goff@u-psud.fr; Devolder, T. [Institut d' Electronique Fondamentale, CNRS, Univ. Paris-Sud, Université Paris-Saclay, 91405 Orsay (France); Nikitin, V. [SAMSUNG Electronics Corporation, 601 McCarthy Blvd Milpitas, California 95035 (United States)

    2016-07-14

    We study whether a direct measurement of the absolute temperature of a Magnetic Tunnel Junction (MTJ) can be performed using the high frequency electrical noise that it delivers under a finite voltage bias. Our method includes quasi-static hysteresis loop measurements of the MTJ, together with the field-dependence of its spin wave noise spectra. We rely on an analytical modeling of the spectra by assuming independent fluctuations of the different sub-systems of the tunnel junction that are described as macrospin fluctuators. We illustrate our method on perpendicularly magnetized MgO-based MTJs patterned in 50 × 100 nm{sup 2} nanopillars. We apply hard axis (in-plane) fields to let the magnetic thermal fluctuations yield finite conductance fluctuations of the MTJ. Instead of the free layer fluctuations that are observed to be affected by both spin-torque and temperature, we use the magnetization fluctuations of the sole reference layers. Their much stronger anisotropy and their much heavier damping render them essentially immune to spin-torque. We illustrate our method by determining current-induced heating of the perpendicularly magnetized tunnel junction at voltages similar to those used in spin-torque memory applications. The absolute temperature can be deduced with a precision of ±60 K, and we can exclude any substantial heating at the spin-torque switching voltage.

  20. Surface thermal analysis of North Brabant cities and neighbourhoods during heat waves

    Directory of Open Access Journals (Sweden)

    Leyre Echevarria Icaza

    2016-03-01

    Full Text Available The urban heat island effect is often associated with large metropolises. However, in the Netherlands even small cities will be affected by the phenomenon in the future (Hove et al., 2011, due to the dispersed or mosaic urbanisation patterns in particularly the southern part of the country: the province of North Brabant. This study analyses the average night time land surface temperature (LST of 21 North-Brabant urban areas through 22 satellite images retrieved by Modis 11A1 during the 2006 heat wave and uses Landsat 5 Thematic Mapper to map albedo and normalized difference temperature index (NDVI values. Albedo, NDVI and imperviousness are found to play the most relevant role in the increase of night-time LST. The surface cover cluster analysis of these three parameters reveals that the 12 “urban living environment” categories used in the region of North Brabant can actually be reduced to 7 categories, which simplifies the design guidelines to improve the surface thermal behaviour of the different neighbourhoods thus reducing the Urban Heat Island (UHI effect in existing medium size cities and future developments adjacent to those cities.

  1. Role of collective effects in dominance of scattering off thermal ions over Langmuir wave decay: Analysis, simulations, and space applications

    International Nuclear Information System (INIS)

    Cairns, Iver H.

    2000-01-01

    Langmuir waves driven to high levels by beam instabilities are subject to nonlinear processes, including the closely related processes of scattering off thermal ions (STI) and a decay process in which the ion response is organized into a product ion acoustic wave. Calculations of the nonlinear growth rates predict that the decay process should always dominate STI, creating two paradoxes. The first is that three independent computer simulation studies show STI proceeding, with no evidence for the decay at all. The second is that observations in space of type III solar radio bursts and Earth's foreshock, which the simulations were intended to model, show evidence for the decay proceeding but no evidence for STI. Resolutions to these paradoxes follow from the realization that a nonlinear process cannot proceed when its growth rate exceeds the minimum frequency of the participating waves, since the required collective response cannot be maintained and the waves cannot respond appropriately, and that a significant number of e-foldings and wave periods must be contained in the time available. It is shown that application of these ''collective'' and ''time scale'' constraints to the simulations explains why the decay does not proceed in them, as well as why STI proceeds in specific simulations. This appears to be the first demonstration that collective constraints are important in understanding nonlinear phenomena. Furthermore, applying these constraints to space observations, it is predicted that the decay should proceed (and dominate STI) in type III sources and the high beam speed regions of Earth's foreshock for a specific range of wave levels, with a possible role for STI alone at slightly higher wave levels. Deeper in the foreshock, for slower beams and weaker wave levels, the decay and STI are predicted to become ineffective. Suggestions are given for future testing of the collective constraint and an explanation for why waves in space are usually much weaker than

  2. Use of Guided Acoustic Waves to Assess the Effects of Thermal-Mechanical Cycling on Composite Stiffness

    Science.gov (United States)

    Seale, Michael D.; Madaras, Eric I.

    2000-01-01

    The introduction of new, advanced composite materials into aviation systems requires it thorough understanding of the long-term effects of combined thermal and mechanical loading. As part of a study to evaluate the effects of thermal-mechanical cycling, it guided acoustic (Lamb) wave measurement system was used to measure the bending and out-of-plane stiffness coefficients of composite laminates undergoing thermal-mechanical loading. The system uses a pulse/receive technique that excites an antisymmetric Lamb mode and measures the time-of-flight over a wide frequency range. Given the material density and plate thickness, the bending and out-of-plane shear stiffnesses are calculated from a reconstruction of the velocity dispersion curve. A series of 16 and 32-ply composite laminates were subjected to it thermal-mechanical loading profile in load frames equipped with special environmental chambers. The composite systems studied were it graphite fiber reinforced amorphous thermoplastic polyimide and it graphite fiber reinforced bismaleimide thermoset. The samples were exposed to both high and low temperature extremes its well as high and low strain profiles. The bending and out-of-plane stiffnesses for composite sample that have undergone over 6,000 cycles of thermal-mechanical loading are reported. The Lamb wave generated elastic stiffness results have shown decreases of up to 20% at 4,936 loading cycles for the graphite/thermoplastic samples and up to 64% at 4,706 loading cycles for the graphite/thermoset samples.

  3. Numerical Analysis on Thermal Non-Equilibrium Process of Laser-Supported Detonation Wave in Axisymmetric Nozzle

    International Nuclear Information System (INIS)

    Shiraishi, Hiroyuki

    2008-01-01

    Numerical Analyses on Laser-Supported Plasma (LSP) have been performed for researching the mechanism of laser absorption occurring in the laser propulsion system. Above all, Laser-Supported Detonation (LSD), categorized as one type of LSP, is considered as one of the most important phenomena because it can generate high pressure and high temperature for performing highly effective propulsion. For simulating generation and propagation of LSD wave, I have performed thermal non-equilibrium analyses by Navier-stokes equations, using a CO 2 gasdynamic laser into an inert gas, where the most important laser absorption mechanism for LSD propagation is Inverse Bremsstrahlung. As a numerical method, TVD scheme taken into account of real gas effects and thermal non-equilibrium effects by using a 2-temperature model, is applied. In this study, I analyze a LSD wave propagating through a conical nozzle, where an inner space of an actual laser propulsion system is simplified

  4. Thermal conductivity of molten KNO3-NaNO2 mixtures measured with wave-front shearing interferometry

    International Nuclear Information System (INIS)

    Iwadate, Yasuhiko; Kawamura, Kazutaka; Okada, Isao.

    1982-01-01

    The thermal conductivities are estimated from data obtained by wave-front shearing interferomety using available data on the density and the heat capacity. The thermal diffusivities and the thermal conductivities of molten KNO 3 -NaNO 2 mixtures increase and decrease slightly with a rise of temperature depending on the molar ratio of KNO 3 to NaNO 2 . They are expressed as linear functions of temperature as shown in Table 3. The results suggest that the ionic melts containing the ions of smaller mass have the larger thermal conductivities. The thermal conductivities of the mixture melts deviate negatively from the additivity. The validity of the proposed theories to the KNO 3 -NaNO 2 system has been studied in which the effects of mass, melting point, and density on thermal conductivity are taken into account. The formula of heat transfer proposed by Rao is best applicable to the thermal conductivity of the mixture. Our result is well expressed by the following formula, K = 2742.T sub(m)sup(1/2).rho sub(m)sup(2/3)/M sup(7/6), where K is the thermal conductivity, T sub(m) the molting point, rho sub(m) the density at T sub(m), and M the mean mass (averaged molecular weight), while the constant is 2742 instead of 2090 according to Rao. Whereas the thermal conductivity of pure alkali nitrate correlates linearly with the ultrasonic sound velocity, this relation does not hold in the molten KNO 3 -NaNO 2 mixture. The additivity rule can be applied to the sound velocity, but not to the thermal conductivity owing to its excess conductivity. (author)

  5. The Role of Higher-Order Modes on the Electromagnetic Whistler-Cyclotron Wave Fluctuations of Thermal and Non-Thermal Plasmas

    Science.gov (United States)

    Vinas, Adolfo F.; Moya, Pablo S.; Navarro, Roberto; Araneda, Jamie A.

    2014-01-01

    Two fundamental challenging problems of laboratory and astrophysical plasmas are the understanding of the relaxation of a collisionless plasmas with nearly isotropic velocity distribution functions and the resultant state of nearly equipartition energy density with electromagnetic plasma turbulence. Here, we present the results of a study which shows the role that higher-order-modes play in limiting the electromagnetic whistler-like fluctuations in a thermal and non-thermal plasma. Our main results show that for a thermal plasma the magnetic fluctuations are confined by regions that are bounded by the least-damped higher order modes. We further show that the zone where the whistler-cyclotron normal modes merges the electromagnetic fluctuations shifts to longer wavelengths as the beta(sub e) increases. This merging zone has been interpreted as the beginning of the region where the whistler-cyclotron waves losses their identity and become heavily damped while merging with the fluctuations. Our results further indicate that in the case of nonthermal plasmas, the higher-order modes do not confine the fluctuations due to the effective higher-temperature effects and the excess of suprathermal plasma particles. The analysis presented here considers the second-order theory of fluctuations and the dispersion relation of weakly transverse fluctuations, with wave vectors parallel to the uniform background magnetic field, in a finite temperature isotropic bi-Maxwellian and Tsallis-kappa-like magnetized electron-proton plasma. Our results indicate that the spontaneously emitted electromagnetic fluctuations are in fact enhanced over these quasi modes suggesting that such modes play an important role in the emission and absorption of electromagnetic fluctuations in thermal or quasi-thermal plasmas.

  6. Development and Short-Range Testing of a 100 kW Side-Illuminated Millimeter-Wave Thermal Rocket

    Science.gov (United States)

    Bruccoleri, Alexander; Eilers, James A.; Lambot, Thomas; Parkin, Kevin

    2015-01-01

    The objective of the phase described here of the Millimeter-Wave Thermal Launch System (MTLS) Project was to launch a small thermal rocket into the air using millimeter waves. The preliminary results of the first MTLS flight vehicle launches are presented in this work. The design and construction of a small thermal rocket with a planar ceramic heat exchanger mounted along the axis of the rocket is described. The heat exchanger was illuminated from the side by a millimeter-wave beam and fed propellant from above via a small tank containing high pressure argon or nitrogen. Short-range tests where the rocket was launched, tracked, and heated with the beam are described. The rockets were approximately 1.5 meters in length and 65 millimeters in diameter, with a liftoff mass of 1.8 kilograms. The rocket airframes were coated in aluminum and had a parachute recovery system activated via a timer and Pyrodex. At the rocket heat exchanger, the beam distance was 40 meters with a peak power intensity of 77 watts per square centimeter. and a total power of 32 kilowatts in a 30 centimeter diameter circle. An altitude of approximately 10 meters was achieved. Recommendations for improvements are discussed.

  7. Quantitative one-dimensional thermal-wave cavity measurements of fluid thermophysical properties through equivalence studies with three-dimensional geometries

    International Nuclear Information System (INIS)

    Matvienko, Anna; Mandelis, Andreas

    2006-01-01

    The thermal-wave field in a photopyroelectric thermal-wave cavity was calculated with two theoretical approaches: a computationally straightforward, conventional, one-dimensional approach and a three-dimensional experimentally more realistic approach. The calculations show that the dimensionality of the thermal-wave field in the cavity depends on the lateral heat transfer boundary conditions and the relation between the beam size of the laser impinging on the thermal-wave generating metallic film and the diameter of the film itself. The theoretical calculations and the experimental data on the photopyroelectric signal in the cavity were compared. The study resulted in identifying ranges of heat transfer rates, beam sizes, and cavity radii for which accurate quantitative measurements of the thermal diffusivity of intracavity fluids can be made within the far simpler, but only approximate, one-dimensional approach conventionally adopted by users of thermal-wave cavities. It was shown that the major parameters affecting the dimensionality of thermal-wave cavities are the laser beam spot size and the Biot number of the medium comprising the sidewalls of the (cylindrical) cavity

  8. Designing bifunctional alkene isomerization catalysts using predictive modelling

    NARCIS (Netherlands)

    Landman, I.R.; Paulson, E.R.; Rheingold, A.L.; Grotjahn, D.B.; Rothenberg, G.

    2017-01-01

    Controlling the isomerization of alkenes is important for the manufacturing of fuel additives, fine-chemicals and pharmaceuticals. But even if isomerization seems to be a simple unimolecular process, the factors that govern catalyst performance are far from clear. Here we present a set of models

  9. Photothermal depth profiling: Comparison between genetic algorithms and thermal wave backscattering (abstract)

    Science.gov (United States)

    Li Voti, R.; Sibilia, C.; Bertolotti, M.

    2003-01-01

    Photothermal depth profiling has been the subject of many papers in the last years. Inverse problems on different kinds of materials have been identified, classified, and solved. A first classification has been done according to the type of depth profile: the physical quantity to be reconstructed is the optical absorption in the problems of type I, the thermal effusivity for type II, and both of them for type III. Another classification may be done depending on the time scale of the pump beam heating (frequency scan, time scan), or on its geometrical symmetry (one- or three-dimensional). In this work we want to discuss two different approaches, the genetic algorithms (GA) [R. Li Voti, C. Melchiorri, C. Sibilia, and M. Bertolotti, Anal. Sci. 17, 410 (2001); R. Li Voti, Proceedings, IV Int. Workshop on Advances in Signal Processing for Non-Destructive Evaluation of Materials, Quebec, August 2001] and the thermal wave backscattering (TWBS) [R. Li Voti, G. L. Liakhou, S. Paoloni, C. Sibilia, and M. Bertolotti, Anal. Sci. 17, 414 (2001); J. C. Krapez and R. Li Voti, Anal. Sci. 17, 417 (2001)], showing their performances and limits of validity for several kinds of photothermal depth profiling problems: The two approaches are based on different mechanisms and exhibit obviously different features. GA may be implemented on the exact heat diffusion equation as follows: one chromosome is associated to each profile. The genetic evolution of the chromosome allows one to find better and better profiles, eventually converging towards the solution of the inverse problem. The main advantage is that GA may be applied to any arbitrary profile, but several disadvantages exist; for example, the complexity of the algorithm, the slow convergence, and consequently the computer time consumed. On the contrary, TWBS uses a simplified theoretical model of heat diffusion in inhomogeneous materials. According to such a model, the photothermal signal depends linearly on the thermal effusivity

  10. Experimental analysis of the evolution of thermal shock damage using transit time measurement of ultrasonic waves

    NARCIS (Netherlands)

    Damhof, F.; Brekelmans, W.A.M.; Geers, M.G.D.

    2009-01-01

    Thermal shock is a principal cause of catastrophic wear of the refractory lining of high temperature installations in metal making processes. To investigate thermal shock experimentally with realistic and reproducible heat transfer conditions, chamotte and corund refractory samples of ambient

  11. Wave

    DEFF Research Database (Denmark)

    Ibsen, Lars Bo

    2008-01-01

    Estimates for the amount of potential wave energy in the world range from 1-10 TW. The World Energy Council estimates that a potential 2TW of energy is available from the world’s oceans, which is the equivalent of twice the world’s electricity production. Whilst the recoverable resource is many...... times smaller it remains very high. For example, whilst there is enough potential wave power off the UK to supply the electricity demands several times over, the economically recoverable resource for the UK is estimated at 25% of current demand; a lot less, but a very substantial amount nonetheless....

  12. Introducing Thermal Wave Transport Analysis (TWTA): A Thermal Technique for Dopamine Detection by Screen-Printed Electrodes Functionalized with Molecularly Imprinted Polymer (MIP) Particles.

    Science.gov (United States)

    Peeters, Marloes M; van Grinsven, Bart; Foster, Christopher W; Cleij, Thomas J; Banks, Craig E

    2016-04-26

    A novel procedure is developed for producing bulk modified Molecularly Imprinted Polymer (MIP) screen-printed electrodes (SPEs), which involves the direct mixing of the polymer particles within the screen-printed ink. This allowed reduction of the sample preparation time from 45 min to 1 min, and resulted in higher reproducibility of the electrodes. The samples are measured with a novel detection method, namely, thermal wave transport analysis (TWTA), relying on the analysis of thermal waves through a functional interface. As a first proof-of-principle, MIPs for dopamine are developed and successfully incorporated within a bulk modified MIP SPE. The detection limits of dopamine within buffer solutions for the MIP SPEs are determined via three independent techniques. With cyclic voltammetry this was determined to be 4.7 × 10(-6) M, whereas by using the heat-transfer method (HTM) 0.35 × 10(-6) M was obtained, and with the novel TWTA concept 0.26 × 10(-6) M is possible. This TWTA technique is measured simultaneously with HTM and has the benefits of reducing measurement time to less than 5 min and increasing effect size by nearly a factor of two. The two thermal methods are able to enhance dopamine detection by one order of magnitude compared to the electrochemical method. In previous research, it was not possible to measure neurotransmitters in complex samples with HTM, but with the improved signal-to-noise of TWTA for the first time, spiked dopamine concentrations were determined in a relevant food sample. In summary, novel concepts are presented for both the sensor functionalization side by employing screen-printing technology, and on the sensing side, the novel TWTA thermal technique is reported. The developed bio-sensing platform is cost-effective and suitable for mass-production due to the nature of screen-printing technology, which makes it very interesting for neurotransmitter detection in clinical diagnostic applications.

  13. Sound wave generation by a spherically symmetric outburst and AGN feedback in galaxy clusters II: impact of thermal conduction.

    Science.gov (United States)

    Tang, Xiaping; Churazov, Eugene

    2018-04-01

    We analyze the impact of thermal conduction on the appearance of a shock-heated gas shell which is produced when a spherically symmetric outburst of a supermassive black hole inflates bubbles of relativistic plasma at the center of a galaxy cluster. The presence of the hot and low-density shell can be used as an ancillary indicator for a high rate of energy release during the outburst, which is required to drive strong shocks into the gas. Here we show that conduction can effectively erase such shell, unless the diffusion of electrons is heavily suppressed. We conclude that a more robust proxy to the energy release rate is the ratio between the shock radius and bubble radius. We also revisited the issue of sound waves dissipation induced by thermal conduction in a scenario, where characteristic wavelength of the sound wave is set by the total energy of the outburst. For a fiducial short outburst model, the dissipation length does not exceed the cooling radius in a typical cluster, provided that the conduction is suppressed by a factor not larger than ˜100. For quasi-continuous energy injection neither the shock-heated shell nor the outgoing sound wave are important and the role of conduction is subdominant.

  14. Experimental Study On Thermal Wave Type Adsorption Refrigeration System Working On A Pair Of Activated Carbon And Methanol

    Directory of Open Access Journals (Sweden)

    Grzebielec Andrzej

    2015-12-01

    Full Text Available The aim of the study was to examine the efficiency of the thermal wave type adsorption refrigerating equipment working on a pair of activated carbon and methanol. Adsorption units can work in trigeneration systems and in applications driven by waste heat. They can be built also as a part of hybrid sorption-compressor systems, and they are very popular in solar refrigeration systems and energy storage units. The device examined in this study operates in a special mode called thermal wave. This mode allows to achieve higher efficiency rates than the normal mode of operation, as a significant contributor to transport heat from one to the other adsorber. To carry out the experiment a test bench was built, consisting of two cylindrical adsorbers filled with activated carbon, condenser, evaporator, oil heater and two oil coolers. Thermal oil circulation was responsible for providing and receiving heat from adsorbers. In order to perform the correct action a special control algorithm device was developed and implemented to keep the temperature in the evaporator at a preset level. The experimental results show the operating parameters changes in both adsorbers. Obtained COP (coefficient of performance for the cycle was 0.13.

  15. The stability of second sound waves in a rotating Darcy–Brinkman porous layer in local thermal non-equilibrium

    Energy Technology Data Exchange (ETDEWEB)

    Eltayeb, I A; Elbashir, T B A, E-mail: ieltayeb@squ.edu.om, E-mail: elbashir@squ.edu.om [Department of Mathematics and Statistics, College of Science, Sultan Qaboos University, Muscat 123 (Oman)

    2017-08-15

    The linear and nonlinear stabilities of second sound waves in a rotating porous Darcy–Brinkman layer in local thermal non-equilibrium are studied when the heat flux in the solid obeys the Cattaneo law. The simultaneous action of the Brinkman effect (effective viscosity) and rotation is shown to destabilise the layer, as compared to either of them acting alone, for both stationary and overstable modes. The effective viscosity tends to favour overstable modes while rotation tends to favour stationary convection. Rapid rotation invokes a negative viscosity effect that suppresses the stabilising effect of porosity so that the stability characteristics resemble those of the classical rotating Benard layer. A formal weakly nonlinear analysis yields evolution equations of the Landau–Stuart type governing the slow time development of the amplitudes of the unstable waves. The equilibrium points of the evolution equations are analysed and the overall development of the amplitudes is examined. Both overstable and stationary modes can exhibit supercritical stability; supercritical instability, subcritical instability and stability are not possible. The dependence of the supercritical stability on the relative values of the six dimensionless parameters representing thermal non-equilibrium, rotation, porosity, relaxation time, thermal diffusivities and Brinkman effect is illustrated as regions in regime diagrams in the parameter space. The dependence of the heat transfer and the mean heat flux on the parameters of the problem is also discussed. (paper)

  16. EVIDENCE OF THERMAL CONDUCTION SUPPRESSION IN A SOLAR FLARING LOOP BY CORONAL SEISMOLOGY OF SLOW-MODE WAVES

    International Nuclear Information System (INIS)

    Wang, Tongjiang; Ofman, Leon; Provornikova, Elena; Sun, Xudong; Davila, Joseph M.

    2015-01-01

    Analysis of a longitudinal wave event observed by the Atmospheric Imaging Assembly (AIA) onboard the Solar Dynamics Observatory is presented. A time sequence of 131 Å images reveals that a C-class flare occurred at one footpoint of a large loop and triggered an intensity disturbance (enhancement) propagating along it. The spatial features and temporal evolution suggest that a fundamental standing slow-mode wave could be set up quickly after meeting of two initial disturbances from the opposite footpoints. The oscillations have a period of ∼12 minutes and a decay time of ∼9 minutes. The measured phase speed of 500 ± 50 km s −1 matches the sound speed in the heated loop of ∼10 MK, confirming that the observed waves are of slow mode. We derive the time-dependent temperature and electron density wave signals from six AIA extreme-ultraviolet channels, and find that they are nearly in phase. The measured polytropic index from the temperature and density perturbations is 1.64 ± 0.08 close to the adiabatic index of 5/3 for an ideal monatomic gas. The interpretation based on a 1D linear MHD model suggests that the thermal conductivity is suppressed by at least a factor of 3 in the hot flare loop at 9 MK and above. The viscosity coefficient is determined by coronal seismology from the observed wave when only considering the compressive viscosity dissipation. We find that to interpret the rapid wave damping, the classical compressive viscosity coefficient needs to be enhanced by a factor of 15 as the upper limit

  17. Role of collective effects in dominance of scattering off thermal ions over Langmuir wave decay: Analysis, simulations, and space applications

    Energy Technology Data Exchange (ETDEWEB)

    Cairns, Iver H.

    2000-12-01

    Langmuir waves driven to high levels by beam instabilities are subject to nonlinear processes, including the closely related processes of scattering off thermal ions (STI) and a decay process in which the ion response is organized into a product ion acoustic wave. Calculations of the nonlinear growth rates predict that the decay process should always dominate STI, creating two paradoxes. The first is that three independent computer simulation studies show STI proceeding, with no evidence for the decay at all. The second is that observations in space of type III solar radio bursts and Earth's foreshock, which the simulations were intended to model, show evidence for the decay proceeding but no evidence for STI. Resolutions to these paradoxes follow from the realization that a nonlinear process cannot proceed when its growth rate exceeds the minimum frequency of the participating waves, since the required collective response cannot be maintained and the waves cannot respond appropriately, and that a significant number of e-foldings and wave periods must be contained in the time available. It is shown that application of these ''collective'' and ''time scale'' constraints to the simulations explains why the decay does not proceed in them, as well as why STI proceeds in specific simulations. This appears to be the first demonstration that collective constraints are important in understanding nonlinear phenomena. Furthermore, applying these constraints to space observations, it is predicted that the decay should proceed (and dominate STI) in type III sources and the high beam speed regions of Earth's foreshock for a specific range of wave levels, with a possible role for STI alone at slightly higher wave levels. Deeper in the foreshock, for slower beams and weaker wave levels, the decay and STI are predicted to become ineffective. Suggestions are given for future testing of the collective constraint and an explanation

  18. Isomeric Detergent Comparison for Membrane Protein Stability

    DEFF Research Database (Denmark)

    Cho, Kyung Ho; Hariharan, Parameswaran; Mortensen, Jonas S.

    2016-01-01

    and utility, particularly for eukaryotic membrane proteins and membrane protein complexes. Thus, a number of new agents have been devised; some have made significant contributions to membrane protein structural studies. However, few detergent design principles are available. In this study, we prepared meta...... and ortho isomers of the previously reported para-substituted xylene-linked maltoside amphiphiles (XMAs), along with alkyl chain-length variation. The isomeric XMAs were assessed with three membrane proteins, and the meta isomer with a C12 alkyl chain was most effective at maintaining solubility....../stability of the membrane proteins. We propose that interplay between the hydrophile–lipophile balance (HLB) and alkyl chain length is of central importance for high detergent efficacy. In addition, differences in inter-alkyl-chain distance between the isomers influence the ability of the detergents to stabilise membrane...

  19. Excitation of plasma waves by unstable photoelectron and thermal electron populations on closed magnetic field lines in the Martian ionosphere

    Directory of Open Access Journals (Sweden)

    N. Borisov

    2005-06-01

    Full Text Available It is argued that anisotropic electron pitch angle distributions in the closed magnetic field regions of the Martian ionosphere gives rise to excitation of plasma instabilities. We discuss two types of instabilities that are excited by two different populations of electrons. First, the generation of Langmuir waves by photoelectrons with energies of the order of 10eV is investigated. It is predicted that the measured anisotropy of their pitch angle distribution at the heights z≈400km causes excitation of waves with frequencies f~30kHz and wavelengths λ~30m. Near the terminators the instability of the electrostatic waves with frequencies of the order of or less than the electron gyrofrequency exited by thermal electrons is predicted. The typical frequencies of these waves depend on the local magnitude of the magnetic field and can achieve values f~3-5kHz above strong crustal magnetic fields.

  20. Calculation of thermal-diffusion coefficients from plane-wave fluctuations in the heat energy density

    International Nuclear Information System (INIS)

    Palmer, B.J.

    1994-01-01

    A method to calculate the thermal diffusivity D T from spontaneous fluctuations in the local heat energy density is presented. Calculations of the thermal diffusivity are performed for the Lennard-Jones fluid, carbon dioxide, and water. The results for the Lennard-Jones fluid are in agreement with calculations of the thermal conductivity using Green-Kubo relations and nonequilibrium molecular-dynamics techniques. The results for carbon dioxide and water give thermal diffusivities within a factor of 2 of the experimental values

  1. Phase-dependent deterministic switching of magnetoelectric spin wave detector in the presence of thermal noise via compensation of demagnetization

    Energy Technology Data Exchange (ETDEWEB)

    Dutta, Sourav, E-mail: sdutta38@gatech.edu; Naeemi, Azad [School of Electrical and Computer Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332 (United States); Nikonov, Dmitri E.; Manipatruni, Sasikanth; Young, Ian A. [Components Research, Intel Corporation, Hillsboro, Oregon 97124 (United States)

    2015-11-09

    The possibility of achieving phase-dependent deterministic switching of the magnetoelectric spin wave detector in the presence of thermal noise has been discussed. The proposed idea relies on the modification of the energy landscape by partially canceling the out-of-plane demagnetizing field and the resultant change in the intrinsic magnetization dynamics to drive the nanomagnet towards a preferential final magnetization state. The remarkable increase in the probability of successful switching can be accounted for by the shift in the location of the saddle point in the energy landscape and a resultant change in the nature of the relaxation dynamics of the magnetization from a highly precessional to a fairly damped one and an increased dependence on the initial magnetization values, a crucial requirement for phase-dependent spin wave detection.

  2. Thermally excited capillary waves at vapor/liquid interfaces of water-alcohol mixtures

    International Nuclear Information System (INIS)

    Vaknin, David; Bu Wei; Sung, Jaeho; Jeon, Yoonnam; Kim, Doseok

    2009-01-01

    The density profiles of liquid/vapor interfaces of water-alcohol (methanol, ethanol and propanol) mixtures were studied by surface-sensitive synchrotron x-ray scattering techniques. X-ray reflectivity and diffuse scattering measurements, from the pure and mixed liquids, were analyzed in the framework of capillary wave theory to address the characteristic length scales of the intrinsic roughness and the shortest capillary wavelength (alternatively, the upper wavevector cutoff in capillary wave theory). Our results establish that the intrinsic roughness is dominated by average interatomic distances. The extracted effective upper wavevector cutoff indicates capillary wave theory breaks down at distances of the order of bulk correlation lengths.

  3. Graphene oxide catalyzed cis-trans isomerization of azobenzene

    Directory of Open Access Journals (Sweden)

    Dongha Shin

    2014-09-01

    Full Text Available We report the fast cis-trans isomerization of an amine-substituted azobenzene catalyzed by graphene oxide (GO, where the amine functionality facilitates the charge transfer from azobenzene to graphene oxide in contrast to non-substituted azobenzene. This catalytic effect was not observed in stilbene analogues, which strongly supports the existence of different isomerization pathways between azobenzene and stilbene. The graphene oxide catalyzed isomerization is expected to be useful as a new photoisomerization based sensing platform complementary to GO-based fluorescence quenching methods.

  4. Thermal and ghost reflection modeling for a 180-deg. field-of-view long-wave infrared lens

    Science.gov (United States)

    Shi, Weimin; Couture, Michael E.

    2001-03-01

    Optics 1, Inc. has successfully designed and developed a 180 degree(s) field of view long wave infrared lens for USAF/AFRL under SBIR phase I and II funded projects in support of the multi-national Programmable Integrated Ordinance Suite (PIOS) program. In this paper, a procedure is presented on how to evaluate image degradation caused by asymmetric aerodynamic dome heating. In addition, a thermal gradient model is proposed to evaluate degradation caused by axial temperature gradient throughout the entire PIOS lens. Finally, a ghost reflection analysis is demonstrated with non-sequential model.

  5. X-ray reflectivity study of thermal capillary waves on liquid surfaces

    International Nuclear Information System (INIS)

    Ocko, B.M.; Wu, X.Z.; Sirota, E.B.; Sinha, S.K.; Deutsch, M.

    1994-01-01

    X-ray reflectivity measurements have been carried out at the liquid/vapor interface of normal alkanes. The reflectivities over a large temperature range of different chain lengths (C20 and C36) provide a critical test of the various capillary wave models. Our data are most consistent with the hybrid model which allows for a molecular size dependent cutoff q max for the capillary waves and an intrinsic interface width σ 0

  6. Shock-induced thermal wave propagation and response analysis of a viscoelastic thin plate under transient heating loads

    Science.gov (United States)

    Li, Chenlin; Guo, Huili; Tian, Xiaogeng

    2018-04-01

    This paper is devoted to the thermal shock analysis for viscoelastic materials under transient heating loads. The governing coupled equations with time-delay parameter and nonlocal scale parameter are derived based on the generalized thermo-viscoelasticity theory. The problem of a thin plate composed of viscoelastic material, subjected to a sudden temperature rise at the boundary plane, is solved by employing Laplace transformation techniques. The transient responses, i.e. temperature, displacement, stresses, heat flux as well as strain, are obtained and discussed. The effects of time-delay and nonlocal scale parameter on the transient responses are analyzed and discussed. It can be observed that: the propagation of thermal wave is dynamically smoothed and changed with the variation of time-delay; while the displacement, strain, and stress can be rapidly reduced by nonlocal scale parameter, which can be viewed as an important indicator for predicting the stiffness softening behavior for viscoelastic materials.

  7. Detection of relic gravitational waves in thermal case by using Adv.LIGO data of GW150914

    Energy Technology Data Exchange (ETDEWEB)

    Ghayour, Basem [University of Hyderabad, School of Physics, Hyderabad (India); Khodagholizadeh, Jafar [Farhangian University, Tehran (Iran, Islamic Republic of)

    2017-08-15

    The thermal spectrum of relic gravitational waves enhances the usual spectrum. Our analysis shows that there exist some chances for detection of the thermal spectrum in addition to the usual spectrum by comparison with sensitivity of Adv.LIGO of GW150914 and detector based on the maser light. The behavior of the inflation and reheating stages are often known as power law expansion like S(η) ∝ η{sup 1+β}, S(η) ∝ η{sup 1+β{sub s}}, respectively, with constraints 1 + β < 0, 1 + β{sub s} > 0. The β and β{sub s} have an unique effect on the shape of the spectrum. We find some values of the β and β{sub s} by considering the mentioned comparison. As obtained, the results give us more information as regards the evolution of inflation and reheating stages. (orig.)

  8. Detection of relic gravitational waves in thermal case by using Adv.LIGO data of GW150914

    International Nuclear Information System (INIS)

    Ghayour, Basem; Khodagholizadeh, Jafar

    2017-01-01

    The thermal spectrum of relic gravitational waves enhances the usual spectrum. Our analysis shows that there exist some chances for detection of the thermal spectrum in addition to the usual spectrum by comparison with sensitivity of Adv.LIGO of GW150914 and detector based on the maser light. The behavior of the inflation and reheating stages are often known as power law expansion like S(η) ∝ η"1"+"β, S(η) ∝ η"1"+"β"_s, respectively, with constraints 1 + β 0. The β and β_s have an unique effect on the shape of the spectrum. We find some values of the β and β_s by considering the mentioned comparison. As obtained, the results give us more information as regards the evolution of inflation and reheating stages. (orig.)

  9. Insights in the Rhodium-Catalyzed Tandem Isomerization-Hydroformylation of 10-Undecenitrile: Evidence for a Fast Isomerization Regime

    Directory of Open Access Journals (Sweden)

    Lucas Le Goanvic

    2018-04-01

    Full Text Available The tandem isomerization-hydroformylation of 10-undecenitrile (1 into the corresponding linear aldehyde (2 with a Rh-biphephos system was studied and the formation of internal olefin isomers (1-int-x was monitored over time. The existence of an “isomerization phenomenon” was evidenced, where fast isomerization of 1 into up to 70% of 1-int-x followed by fast back-isomerization of 1-int-x into 1 and, in turn, into 2 occurs. This fast dynamic isomerization regime is favored at high syngas pressure (40 bar and low biphephos-to-Rh ratio (5–10, and it is best observed at relatively high catalyst loadings ([1]0/[Rh] ≤ 3000. The latter regime is indeed evanescent, and gives place to a second stage in which isomerization of internal olefins (and eventual conversion into 2 proceeds much more slowly. The results are tentatively rationalized by the formation of an unstable species that promotes dynamic isomerization and which slowly vanishes or collapses into a Rh-biphephos species which is the one responsible for hydroformylation.

  10. The Lamb wave bandgap variation of a locally resonant phononic crystal subjected to thermal deformation

    Science.gov (United States)

    Zhu, Yun; Li, Zhen; Li, Yue-ming

    2018-05-01

    A study on dynamical characteristics of a ternary locally resonant phononic crystal (PC) plate (i.e., hard scatterer with soft coating periodically disperse in stiff host matrix) is carried out in this paper. The effect of thermal deformation on the structure stiffness, which plays an important role in the PC's dynamical characteristics, is considered. Results show that both the start and the stop frequency of bandgap shift to higher range with the thermal deformation. In particular, the characteristics of band structure change suddenly at critical buckling temperature. The effect of thermal deformation could be utilized for tuning of phononic band structures, which can promote their design and further applications.

  11. Synthesis and Characterisation of Eight Isomeric Bis(2-pyridyloxynaphthalenes

    Directory of Open Access Journals (Sweden)

    Peter J. Steel

    2006-09-01

    Full Text Available Eight isomeric bis(2-pyridyloxynaphthalenes have been prepared from reactions of 2-bromopyridine with the appropriate dihydroxynaphthalene and the products fully characterised by 1- and 2-D NMR spectroscopy.

  12. Excitation of upper-hybrid waves by a thermal parametric instability

    International Nuclear Information System (INIS)

    Lee, M.C.; Kuo, S.P.

    1983-01-01

    A purely growing instability characterized by a four-wave interaction is analysed in a uniform, magnetized plasma. Up-shifted and down-shifted upper-hybrid waves and a non-oscillatory mode can be excited by a pump wave of ordinary rather than extraordinary polarization in the case of ionospheric heating. The differential Ohmic heating force dominates over the ponderomotive force as the wave-wave coupling mechanism. The beating current at zero frequency produces a significant stabilizing effect on the excitation of short-scale modes by counterbalancing the destabilizing effect of the differential Ohmic heating. The effect of ionospheric inhomogeneity is estimated, showing a tendency to raise the thresholds of the instability. When applied to ionospheric heating experiments, the present theory can explain the excitation of field-aligned plasma lines and ionospheric irregularities with a continuous spectrum ranging from metre-scale to hundreds of metre-scale. Further, the proposed mechanism may become a competitive process to the parametric decay instability and be responsible for the overshoot phenomena of the plasma line enhancement at Arecibo. (author)

  13. Hydrogen Wave Heater for Nuclear Thermal Propulsion Component Testing, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — NASA has identified Nuclear Thermal Propulsion (NTP) as an approach that can provide the fastest trip times to Mars and as the preferred concept for human space...

  14. Hydrogen Wave Heater for Nuclear Thermal Propulsion Component Testing, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — NASA has identified Nuclear Thermal Propulsion (NTP) as a propulsion concept which could provide the fastest trip times to Mars and as the preferred concept for...

  15. Isomerizations of the Nitromethane Radical Cation in the Gas Phase

    DEFF Research Database (Denmark)

    Egsgaard, Helge; Carlsen, Lars; Elbel, Susanne

    1986-01-01

    The concurrent isomerizations of the nitromethane radical cation to its aci-nitromethane and methylnitrite isomers, respectively, has been established based on metastable ion studies and collision activation mass spectrometry. The energy diagram for the ionized nitromethane/aci-nitromethane tauto......The concurrent isomerizations of the nitromethane radical cation to its aci-nitromethane and methylnitrite isomers, respectively, has been established based on metastable ion studies and collision activation mass spectrometry. The energy diagram for the ionized nitromethane...

  16. Thermal effect on gravity waves in a compressible liquid layer over a ...

    Indian Academy of Sciences (India)

    R. Narasimhan (Krishtel eMaging) 1461 1996 Oct 15 13:05:22

    Abstract. This paper deals with the effect of temperature on gravity waves in a compressible liquid layer over a solid half-space. It has been assumed that the liquid layer is under the action of gravity, while the solid half-space is under the influence of initial compressive hydrostatic stress. When the temperature of the.

  17. Thermal effect on gravity waves in a compressible liquid layer over a ...

    Indian Academy of Sciences (India)

    This paper deals with the effect of temperature on gravity waves in a compressible liquid layer over a solid half-space. It has been assumed that the liquid layer is under the action of gravity, while the solid half-space is under the influence of initial compressive hydrostatic stress. When the temperature of the half-space is ...

  18. Study of the photochemical isomerization of ergosterol

    International Nuclear Information System (INIS)

    Mermet-Bouvier, Rene

    1972-01-01

    The photochemical reaction scheme of Ergosterol-Vitamin D 2 was studied. The schemes proposed in published literature are described together with earlier methods used for the analysis and determination. The method used is then discussed. In the first part, the factors concerning the changes occurring in molecular systems exposed to radiation, and the formalism used, are examined. Investigations of linear molecular systems and their applications to the reaction scheme of Ergosterol-Vitamin D 2 are discussed. The properties which enable the last three reaction schemes proposed in the literature to be distinguished are described. In the second part, the experimental analytical methods and the determinations made of the different isomers formed are presented. Chromatographic techniques (thin films, columns, gaseous phase) suitable for separating the various isomeric species are used. The existence of 8 isomers was established as well as a transformation occurring in one of them. The ultraviolet and infrared spectra were obtained. A reaction scheme is proposed (in which all the quantum yield values are given) from comparisons between the calculated and experimental values of the eigenvalue of the absolute minimum value λ m and the eigenvector corresponding to V m . (author) [fr

  19. Te(R,t) Measurements using Electron Bernstein Wave Thermal Emission on NSTX

    International Nuclear Information System (INIS)

    Diem, S.J.; Taylor, G.; Efthimion, P.C.; LeBlanc, B.P.; Carter, M.; Caughman, J.; Wilgen, J.B.; Harvey, R.W.; Preinhaelter, J.; Urban, J.

    2006-01-01

    The National Spherical Torus Experiment (NSTX) routinely studies overdense plasmas with n e of (1-5) x 10 19 m -3 and total magnetic field of e measurement. A significant upgrade to the previous NSTX EBW emission diagnostic to measure thermal EBW emission via the oblique B-X-O mode conversion process has been completed. The new EBW diagnostic consists of two remotely steerable, quad-ridged horn antennas, each of which is coupled to a dual channel radiometer. Fundamental (8-18 GHz) and second and third harmonic (18-40 GHz) thermal EBW emission and polarization measurements can be obtained simultaneously.

  20. FIBWR2 evaluation of fuel thermal limits during density wave oscillaions in BWRs

    Energy Technology Data Exchange (ETDEWEB)

    Nik, N.; Rajan, S.R.; Karasulu, M. [New York Power Authority, White Plains, NY (United States)

    1995-09-01

    Analyses were performed to evaluate hydraulic and thermal margin responses of three different BWR fuel designs subjected to the same periodic power/flow oscillations, such as those that might be exhibited during an instability event. The power/flow versus time information from the oscillations was used as a forcing function to calculate the hydraulic response and the MCPR performance of the limiting fuel bundles during the regional oscillations using the analytical code FIBWR2. The results of the calculations were used to determine the thermal margin variation as a function of oscillation magnitude.

  1. Reflection of a shock wave from a thermally accommodating wall - Molecular simulation.

    Science.gov (United States)

    Deiwert, G. S.

    1973-01-01

    Reflection of a plane shock wave from a wall has been simulated on a microscopic scale using a direct simulation Monte Carlo technique of the type developed by Bird. A monatomic gas model representing argon was used to describe the fluid medium and a simple one-parameter accommodation coefficient model was used to describe the gas-surface interaction. The influence of surface accommodation was studied parametrically by varying the accommodation coefficient from zero to one. Results are presented showing the temporal variations of flow field density, and mass, momentum, and energy fluxes to the wall during the shock wave reflection process. The energy flux was used to determine the wall temperature history. Comparisons with experiment are found to be satisfactory where data are available.

  2. An axisymmetric boundary element formulation of sound wave propagation in fluids including viscous and thermal losses

    DEFF Research Database (Denmark)

    Cutanda Henriquez, Vicente; Juhl, Peter Møller

    2013-01-01

    are solved using extended boundary conditions that account for: i) negligible temperature fluctuations at the boundary, and ii) normal and tangential matching of the boundary’s particle velocity. The proposed model does not require constructing a special mesh for the viscous and thermal boundary layers...

  3. Thermal-hydraulics of wave propagation and pressure distribution under hypothetical steam explosion conditions in the ANS reactor

    Energy Technology Data Exchange (ETDEWEB)

    Taleyarkhan, R.P.; Georgevich, V.; N-Valenit, S.; Kim, S.H. [Oak Ridge National Lab., TN (United States)

    1995-09-01

    This paper describes salient aspects of the modeling and analysis framework for evaluation of dynamic loads, wave propagation, and pressure distributions (under hypothetical steam explosion conditions) around key structural boundaries of the Advanced Neutron Source (ANS) reactor core region. A staged approach was followed, using simple thermodynamic models for bounding loads and the CTH code for evaluating realistic estimates in a staged multidimensional framework. Effects of nodalization, melt dispersal into coolant during explosion, single versus multidirectional dissipation, energy level of melt, and rate of energy deposition into coolant were studied. The importance of capturing multidimensional effects that simultaneously account for fluid-structural interactions was demonstrated. As opposed to using bounding loads from thermodynamic evaluations, it was revealed that the ANS reactor system will not be vulnerable to vertically generated missiles that threaten containment if realistic estimates of energetics are used (from CTH calculations for thermally generated steam explosions without significant aluminum ignition).

  4. Electromagnetic and thermal analysis of distributed cooled high power millimeter wave windows

    International Nuclear Information System (INIS)

    Nelson, S.D.; Reitter, T.; Caplan, M.; Moeller, C.

    1996-01-01

    The sectional high-frequency internally-cooled window, as proposed by General Atomics(1), has unique potential for allowing microwave sources to reach multi-megawatt CW levels with application to ECRH. Designs are being investigated using computational electromagnetic (EM), thermal, and mechanical codes at 110 GHz and 170 GHz to examine the design tradeoffs between RF performance and thermal mechanical safety margins. The EM analyses are for the window, under vacuum at one MW and includes variations in the shapes of the cooling fins, the surface treatment of the window elements themselves, the cooling fin tip treatment, the window pitch angle, and the waveguide effects. One advantage of the distributed cooled window is it close-quote s extensibility to higher power levels. Results in the modeling efforts are presented showing the EM field concentrations (which then will feed into the thermal analysis), the energy scattering/reflection, the transmitted launch angle variation as a function of physical geometry, and the spatial energy distribution and loss as a function of time and position. copyright 1996 American Institute of Physics

  5. Improving gasoline quality produced from MIDOR light naphtha isomerization unit

    Directory of Open Access Journals (Sweden)

    M.F. Mohamed

    2017-03-01

    Full Text Available Isomerization process became one of the best gasoline production sources, as it gives a high octane product while saving environment from pollution impacts. This paper presents a practical study that aims to improve the gasoline quality and economic income of an existing light naphtha isomerization unit used for octane improvement. The study included selecting the optimum combination of isomerization unit equipment that gives better product specifications for a specified feed. Eight scenarios were studied and simulated to predict the product specs. The original studied unit is MIDOR light naphtha isomerization unit at Alexandria-Egypt that recycles the unconverted hexane (C6. The other studied scenarios were adding fractionators for separating feed iso-pentanes, and recycling unconverted pentanes, hexanes and/or combinations of these fractionators. The results show a change in octane number of gasoline product for a specific feed. Once through process with no extra fractionators has lower octane number of 81 while that with de-iso-pentanizer–de-pentanizer and de-hexanizer produces gasoline with 92.3 octane number. Detailed economic study was done to calculate the return on investment “ROI” for each process option based on equipment, utilities, feed and product prices. Once through simple isomerization unit had the lowest ROI of 14.3% per year while the combination of De-iso-pentanizer with the De-hexanizer had the best ROI of 26.6% per year.

  6. Enhanced Mode Conversion of Thermally Emitted Electron Bernstein Waves (EBW)to Extraordinary Mode

    International Nuclear Information System (INIS)

    Jones, B.; Efthimion, P.C.; Taylor, G.; Munsat, T.; Wilson, J.R.; Hosea, J.C.; Kaita, R.; Majeski, R.; Maingi, R.; Shiraiwa, S.; Spaleta, J.

    2002-01-01

    In the CDX-U spherical torus, approximately 100% conversion of thermal EBWs to X-mode has been observed by controlling the electron density scale length (Ln) in the conversion region with a local limiter outside the last closed flux surface. The radiation temperature profile agrees with Thomson scattering electron temperature data. Results are consistent with theoretical calculations of conversion efficiency using measured Ln. By reciprocity of the conversion process, prospects for efficient coupling in EBW heating and current drive scenarios are strongly supported

  7. Enhanced Mode Conversion of Thermally Emitted Electron Bernstein Waves (EBW)to Extraordinary Mode; TOPICAL

    International Nuclear Information System (INIS)

    B. Jones; P.C. Efthimion; G. Taylor; T. Munsat; J.R. Wilson; J.C. Hosea; R. Kaita; R. Majeski; R. Maingi; S. Shiraiwa; J. Spaleta

    2002-01-01

    In the CDX-U spherical torus, approximately 100% conversion of thermal EBWs to X-mode has been observed by controlling the electron density scale length (Ln) in the conversion region with a local limiter outside the last closed flux surface. The radiation temperature profile agrees with Thomson scattering electron temperature data. Results are consistent with theoretical calculations of conversion efficiency using measured Ln. By reciprocity of the conversion process, prospects for efficient coupling in EBW heating and current drive scenarios are strongly supported

  8. Radiochemical study of isomerization of free butyl cations

    International Nuclear Information System (INIS)

    Sinotova, E.N.; Nefedov, V.D.; Skorokhodov, S.S.; Arkhipov, Yu.M.

    1987-01-01

    Ion-molecular reactions of free butyl cations, generated by nuclear chemical method, with carbon monoxide containing small quantities of ethanol vapors are studied. Carbon monoxide was used to fix instable butyl cations in the form of corresponding acyl ions. Ester of α-methyl-butyric acid appears to be the only product of free butyl cation interaction with carbon monoxide in the presence of ethanol vapors. That means, that up to the moment of butyl cation reaction with carbon monoxide, the primary butyl cations are almost completely isomerized into secondary in agreement with results of previous investigations. This allows one to study free butyl cation isomerization process according to ion-molecular reaction product isomeric composition

  9. Isomeric states in 253No and 253Fm

    International Nuclear Information System (INIS)

    Antalic, S.; Kalaninova, Z.; Saro, S.; Venhart, M.; Hessberger, F.P.; Ackermann, D.; Heinz, S.; Kindler, B.; Khuyagbaatar, J.; Kojouharov, I.; Kuusiniemi, P.; Lommel, B.; Mann, R.; Sulignano, B.; Hofmann, S.; Leino, M.; Nishio, K.; Streicher, B.

    2011-01-01

    Nuclear structure and decay of isomeric states in 253 No were investigated. The isotope was produced by the reaction 48 Ca + 207 Pb. The excitation energy of the known single-particle isomeric state (5/2 + [622]) was measured by delayed coincidences between γ-rays and implanted evaporation residues and was placed into the level scheme. In addition, decay of a high-lying multi-quasiparticle isomer in 253 No was studied using e - -γ coincidence measurements. A rotational band populated by its de-excitation was identified in 253 No. A new isomeric state in 253 Fm was observed and a partial-level scheme for this isotope is suggested. In addition γ transitions from excited levels are reported for 253 Md. (orig.)

  10. Thermal effects on tenebrio molitor and lawn irradiated by high power centimeter wave

    International Nuclear Information System (INIS)

    Zhang Jie; Han Lijun; Qi Hongxing; Chen Shude; Qiao Dengjiang

    2008-01-01

    A system of high power centimeter wave(HPCW) was built up. The temperature change of tenebrio molitor and lawn was sampled during HPCW irradiation. It is shown that the relationship between the temperature increase of tenebrio molitor and irradiation time is approximately linear, and the relationship between the temperature increase of lawn and irradiation time is nonlinear. It is also considered that the temperature of lawn increases faster than that of tenebrio molitor does during the earlier stage of irradiation. The death percentage of tenebrio molitor and injury rate of lawn irradiated by HPCW could be fitted by normal distribution. The fitting curves of relations between death rate and irradiation time and between death rate and temperature are presented. (authors)

  11. BRIEF COMMUNICATIONS: Strong reflection of a series of pulses from a four-wave mirror with thermal nonlinearity under parametric feedback conditions

    Science.gov (United States)

    Barashkov, M. S.; Bel'dyugin, Igor'M.; Zolotarev, M. V.; Kruzhilin, Yu I.; Krymskiĭ, M. I.; Oshkin, S. P.; Starkov, G. S.; Umnov, A. F.; Kharchenko, M. A.

    1989-04-01

    A four-wave mirror exhibiting a thermal nonlinearity was used in a study of the interaction of concurrent waves under parametric feedback conditions in the presence of a nonreciprocal element. Strong reflection of a series of pulses of ~ 300 ns duration from a neodymium glass laser was demonstrated: the maximum reflection coefficient was in excess of 30. An analysis was made of the quality of the radiation reflected from this four-mirror parametric feedback system. A considerable reduction was observed in the steady-state threshold for the operation of this mirror with a thermal nonlinearity when the angles of convergence of the interacting beams were small compared with the case of head-on collision of the waves.

  12. Wave propagation in fluid-conveying viscoelastic carbon nanotubes under longitudinal magnetic field with thermal and surface effect via nonlocal strain gradient theory

    Science.gov (United States)

    Zhen, Yaxin; Zhou, Lin

    2017-03-01

    Based on nonlocal strain gradient theory, wave propagation in fluid-conveying viscoelastic single-walled carbon nanotubes (SWCNTs) is studied in this paper. With consideration of thermal effect and surface effect, wave equation is derived for fluid-conveying viscoelastic SWCNTs under longitudinal magnetic field utilizing Euler-Bernoulli beam theory. The closed-form expressions are derived for the frequency and phase velocity of the wave motion. The influences of fluid flow velocity, structural damping coefficient, temperature change, magnetic flux and surface effect are discussed in detail. SWCNTs’ viscoelasticity reduces the wave frequency of the system and the influence gets remarkable with the increase of wave number. The fluid in SWCNTs decreases the frequency of wave propagation to a certain extent. The frequency (phase velocity) gets larger due to the existence of surface effect, especially when the diameters of SWCNTs and the wave number decrease. The wave frequency increases with the increase of the longitudinal magnetic field, while decreases with the increase of the temperature change. The results may be helpful for better understanding the potential applications of SWCNTs in nanotechnology.

  13. Isomerization Intermediates In Solution Phase Photochemistry Of Stilbenes

    Science.gov (United States)

    Doany, F. E.; Hochstrasser, R. M.; Greene, B. I.

    1985-04-01

    Picosecond and subpicosecond spectroscopic studies have revealed evidence for an isomerization intermediate between cis and trans in the photoinduced isomerism of both stilbene and biindanyledene ("stiff" stilbene). In stiff stilbene, a transient absorption at 351 nm displays time evolution and viscosity dependence consistent with absorption by a twisted intermediate ("phantom" state) with a lOps lifetime. An analagous bottleneck state with a life-time of 4ps is also consistent with the ground state recovery dynamics of t-stilbene following excitation of c-stilbene when monitored with 0.1ps resolution.

  14. Evaluation of isomeric excitation functions in neutron induced reactions

    International Nuclear Information System (INIS)

    Grudzevich, O.; Ignatyuk, A.; Zolotarev, K.

    1992-01-01

    The possibilities of isomer levels experimental excitation functions description with theoretical models are discussed. It is shown that the experimental data in many cases can be described by theoretical models quite well without parameter fitting. However, large discrepancies are observed for some reactions. In our opinion, these discrepancies are due to uncertainties of discrete level schemes, schemes of gamma-transitions between levels and spin dependence of level density. Small values of isomeric ratios (< 0.1) have been described with the largest errors. The simple formulae for energy dependence of isomeric ratio for (n,g) reaction has been proposed. (author). 53 refs, 10 figs, 8 tabs

  15. cis–trans Isomerization of silybins A and B

    Directory of Open Access Journals (Sweden)

    Michaela Novotná

    2014-05-01

    Full Text Available Methods were developed and optimized for the preparation of the 2,3-cis- and the 10,11-cis-isomers of silybin by the Lewis acid catalyzed (BF3∙OEt2 isomerization of silybins A (1a and B (1b (trans-isomers. The absolute configuration of all optically pure compounds was determined by using NMR and comparing their electronic circular dichroism data with model compounds of known absolute configurations. Mechanisms for cis–trans-isomerization of silybin are proposed and supported by quantum mechanical calculations.

  16. Evaluation of excitation functions for isomeric levels in neutron reactions

    International Nuclear Information System (INIS)

    Grudzevich, O.T.; Zelenetskij, A.V.; Zolotarev, K.I.; Kornilov, N.V.; Pashchenko, A.B.

    1993-07-01

    The authors consider the use of theoretical models to describe experimental excitation functions for isomeric levels in neutron reactions and to predict the cross-sections when no experimental data are available. It is shown that, in many cases, experimental data can be described quite satisfactorily by calculations without adjustment of parameters. For threshold reactions at a neutron energy of ∼ 14 MeV the agreement between calculated and experimental isomeric ratios is ∼ 20%, and is determined mainly by errors in the experimental ratios. However, for some reactions there are considerable differences between experimental and calculated data, which are due, in the authors' opinion, to uncertainties in the schemes of the low-lying levels and of gamma transitions between levels and to the spin dependence of level density. The small isomeric ratio values R<0.1 are described with the lowest accuracy. A formula is suggested for the energy dependence of the isomeric ratio in the (n,γ) reaction. (author)

  17. cis-trans Isomerization of silybins A and B

    Czech Academy of Sciences Publication Activity Database

    Novotná, Michaela; Gažák, Radek; Biedermann, David; Di Meo, F.; Marhol, Petr; Kuzma, Marek; Bednárová, Lucie; Fuksová, Kateřina; Trouillas, P.; Křen, Vladimír

    -, č. 10 (2014), s. 1047-1063 ISSN 1860-5397 R&D Projects: GA ČR GAP207/10/0288; GA MŠk LH13097; GA MŠk(CZ) LD13041 Institutional support: RVO:61388971 ; RVO:61388963 Keywords : isomerization * silibinin * silybin Subject RIV: CC - Organic Chemistry Impact factor: 2.762, year: 2014

  18. Isomerization of β-carotene by titanium tetrachloride catalyst

    Indian Academy of Sciences (India)

    TECS

    2007-05-04

    May 4, 2007 ... antioxidant because of the presence of a long chain of conjugated carbon-carbon double bonds. ... such as extraction, chromatography etc. It has been reported that the chlorinated solvents can promote isomerization of trans conjugated polyenes such as β-carotene during extraction.5. Also, the isomeriza-.

  19. Isomerization of 2-phospha-4-silabicyclo[1.10]butane

    NARCIS (Netherlands)

    Slootweg, J.C.; Ehlers, A.W.; Lammertsma, K.

    2004-01-01

    In analogy with the valence isomerism of the hydrocarbons bicyclobutane, 1,3-butadiene and cyclobutene, the rearrangements for 2-phospha-4-sila- bicyclo[1.1.0]butane were studied at the B3LYP/6-311+G** level of theory. The monocyclic 1,2-dihydro-1,2-phosphasilete is shown to be the thermodynamically

  20. Light-induced linkage isomerization of photochromic [Ru(bpy){sub 2}(R-OSO)]{sup +} compounds

    Energy Technology Data Exchange (ETDEWEB)

    Springfeld, Kristin; Dieckmann, Volker; Eicke, Sebastian; Imlau, Mirco [Department of Physics, University of Osnabrueck (Germany); Rack, Jeffrey J. [Department of Chemistry and Biochemistry, Ohio University, Athens, Ohio (United States)

    2010-07-01

    Ruthenium sulfoxides exhibit light-induced linkage isomerization of the SO-bond with remarkable photosensitivity S=(0.25{+-}0.03) Ws cm{sup -1} and extended lifetimes of the related metastable states in the order of 10{sup 4} s. The isomerization is accompanied with tremendous changes of the optical extinction up to 9350 cm{sup -1} mol{sup -1} thus enabling the study of linkage isomerization by means of time-resolved optical spectroscopy. Here, the influence of ligand substitution is studied via inspection of the photosensitivity and the generation and relaxation dynamics of the photochromic response as a function of temperature (pump at {lambda}=405 nm, probe at {lambda}=532 nm). The spectra of the modified compounds, where ligands R=Bn, BnCl, and BnMe were attached to OSO, were compared with the reference system [Ru(bpy){sub 2}(OSO)]{sup +}. It turns out, that the new ligands affect the absorption features and the photosensitivity of the system only slightly. In contrast, a strong influence of the thermal relaxation of the metastable states is uncovered. Remarkably, the influence on the frequency factors is much more pronounced than on the activation energies achieved by Arrhenius' law.

  1. First spatial separation of a heavy ion isomeric beam with a multiple-reflection time-of-flight mass spectrometer

    Science.gov (United States)

    Dickel, T.; Plaß, W. R.; Ayet San Andres, S.; Ebert, J.; Geissel, H.; Haettner, E.; Hornung, C.; Miskun, I.; Pietri, S.; Purushothaman, S.; Reiter, M. P.; Rink, A.-K.; Scheidenberger, C.; Weick, H.; Dendooven, P.; Diwisch, M.; Greiner, F.; Heiße, F.; Knöbel, R.; Lippert, W.; Moore, I. D.; Pohjalainen, I.; Prochazka, A.; Ranjan, M.; Takechi, M.; Winfield, J. S.; Xu, X.

    2015-05-01

    211Po ions in the ground and isomeric states were produced via 238U projectile fragmentation at 1000 MeV/u. The 211Po ions were spatially separated in flight from the primary beam and other reaction products by the fragment separator FRS. The ions were energy-bunched, slowed-down and thermalized in a gas-filled cryogenic stopping cell (CSC). They were then extracted from the CSC and injected into a high-resolution multiple-reflection time-of-flight mass spectrometer (MR-TOF-MS). The excitation energy of the isomer and, for the first time, the isomeric-to-ground state ratio were determined from the measured mass spectrum. In the subsequent experimental step, the isomers were spatially separated from the ions in the ground state by an ion deflector and finally collected with a silicon detector for decay spectroscopy. This pioneering experimental result opens up unique perspectives for isomer-resolved studies. With this versatile experimental method new isomers with half-lives longer than a few milliseconds can be discovered and their decay properties can be measured with highest sensitivity and selectivity. These experiments can be extended to studies with isomeric beams in nuclear reactions.

  2. Shock wave and modeling study of the thermal decomposition reactions of pentafluoroethane and 2-H-heptafluoropropane.

    Science.gov (United States)

    Cobos, C J; Sölter, L; Tellbach, E; Troe, J

    2014-06-07

    The thermal decomposition reactions of CF3CF2H and CF3CFHCF3 have been studied in shock waves by monitoring the appearance of CF2 radicals. Temperatures in the range 1400-2000 K and Ar bath gas concentrations in the range (2-10) × 10(-5) mol cm(-3) were employed. It is shown that the reactions are initiated by C-C bond fission and not by HF elimination. Differing conclusions in the literature about the primary decomposition products, such as deduced from experiments at very low pressures, are attributed to unimolecular falloff effects. By increasing the initial reactant concentrations in Ar from 60 to 1000 ppm, a retardation of CF2 formation was observed while the final CF2 yields remained close to two CF2 per C2F5H or three CF2 per C3F7H decomposed. This is explained by secondary bimolecular reactions which lead to comparably stable transient species like CF3H, releasing CF2 at a slower rate. Quantum-chemical calculations and kinetic modeling help to identify the reaction pathways and provide estimates of rate constants for a series of primary and secondary reactions in the decomposition mechanism.

  3. Thermal conductivity of molten KNO/sub 3/-NaNO/sub 2/ mixtures measured with wave-front shearing interferometry

    Energy Technology Data Exchange (ETDEWEB)

    Iwadate, Yasuhiko; Kawamura, Kazutaka [Tokyo Inst. of Tech. (Japan). Research Lab. of Nuclear Reactor; Okada, Isao

    1982-06-01

    The thermal conductivities are estimated from data obtained by wave-front shearing interferomety using available data on the density and the heat capacity. The thermal diffusivities and the thermal conductivities of molten KNO/sub 3/-NaNO/sub 2/ mixtures increase and decrease slightly with a rise of temperature depending on the molar ratio of KNO/sub 3/ to NaNO/sub 2/. They are expressed as linear functions of temperature as shown in Table 3. The results suggest that the ionic melts containing the ions of smaller mass have the larger thermal conductivities. The thermal conductivities of the mixture melts deviate negatively from the additivity. The validity of the proposed theories to the KNO/sub 3/-NaNO/sub 2/ system has been studied in which the effects of mass, melting point, and density on thermal conductivity are taken into account. The formula of heat transfer proposed by Rao is best applicable to the thermal conductivity of the mixture. Our result is well expressed by the following formula, K = 2742.T sub(m)sup(1/2).rho sub(m)sup(2/3)/M sup(7/6), where K is the thermal conductivity, T sub(m) the molting point, rho sub(m) the density at T sub(m), and M the mean mass (averaged molecular weight), while the constant is 2742 instead of 2090 according to Rao. Whereas the thermal conductivity of pure alkali nitrate correlates linearly with the ultrasonic sound velocity, this relation does not hold in the molten KNO/sub 3/-NaNO/sub 2/ mixture. The additivity rule can be applied to the sound velocity, but not to the thermal conductivity owing to its excess conductivity.

  4. Left cardiac isomerism in the Sonic hedgehog null mouse.

    Science.gov (United States)

    Hildreth, Victoria; Webb, Sandra; Chaudhry, Bill; Peat, Jonathan D; Phillips, Helen M; Brown, Nigel; Anderson, Robert H; Henderson, Deborah J

    2009-06-01

    Sonic hedgehog (Shh) is a secreted morphogen necessary for the production of sidedness in the developing embryo. In this study, we describe the morphology of the atrial chambers and atrioventricular junctions of the Shh null mouse heart. We demonstrate that the essential phenotypic feature is isomerism of the left atrial appendages, in combination with an atrioventricular septal defect and a common atrioventricular junction. These malformations are known to be frequent in humans with left isomerism. To confirm the presence of left isomerism, we show that Pitx2c, a recognized determinant of morphological leftness, is expressed in the Shh null mutants on both the right and left sides of the inflow region, and on both sides of the solitary arterial trunk exiting from the heart. It has been established that derivatives of the second heart field expressing Isl1 are asymmetrically distributed in the developing normal heart. We now show that this population is reduced in the hearts from the Shh null mutants, likely contributing to the defects. To distinguish the consequences of reduced contributions from the second heart field from those of left-right patterning disturbance, we disrupted the movement of second heart field cells into the heart by expressing dominant-negative Rho kinase in the population of cells expressing Isl1. This resulted in absence of the vestibular spine, and presence of atrioventricular septal defects closely resembling those seen in the hearts from the Shh null mutants. The primary atrial septum, however, was well formed, and there was no evidence of isomerism of the atrial appendages, suggesting that these features do not relate to disruption of the contributions made by the second heart field. We demonstrate, therefore, that the Shh null mouse is a model of isomerism of the left atrial appendages, and show that the recognized associated malformations found at the venous pole of the heart in the setting of left isomerism are likely to arise from

  5. Second-chance forward isomerization dynamics of the red/green cyanobacteriochrome NpR6012g4 from Nostoc punctiforme.

    Science.gov (United States)

    Kim, Peter W; Freer, Lucy H; Rockwell, Nathan C; Martin, Shelley S; Lagarias, J Clark; Larsen, Delmar S

    2012-01-11

    The primary ultrafast Z-to-E isomerization photodynamics of the phytochrome-related cyanobacteriochrome NpR6012g4 from Nostoc punctiforme was studied by transient absorption pump-dump-probe spectroscopy. A 2 ps dump pulse resonant with the stimulated emission band depleted 21% of the excited-state population, while the initial photoproduct Lumi-R was depleted by only 11%. We observed a red-shifted ground-state intermediate (GSI) that we assign to a metastable state that failed to isomerize fully. Multicomponent global analysis implicates the generation of additional Lumi-R from the GSI via crossing over the ground-state thermal barrier for full isomerization, explaining the discrepancy between excited-state and Lumi-R depletion by the dump pulse. This second-chance ground-state dynamics provides a plausible explanation for the unusually high quantum yield of 40% for the primary isomerization step in the forward reaction of NpR6012g4. © 2011 American Chemical Society

  6. Making waves in a photoactive polymer film

    Science.gov (United States)

    Gelebart, Anne Helene; Jan Mulder, Dirk; Varga, Michael; Konya, Andrew; Vantomme, Ghislaine; Meijer, E. W.; Selinger, Robin L. B.; Broer, Dirk J.

    2017-06-01

    Oscillating materials that adapt their shapes in response to external stimuli are of interest for emerging applications in medicine and robotics. For example, liquid-crystal networks can be programmed to undergo stimulus-induced deformations in various geometries, including in response to light. Azobenzene molecules are often incorporated into liquid-crystal polymer films to make them photoresponsive; however, in most cases only the bending responses of these films have been studied, and relaxation after photo-isomerization is rather slow. Modifying the core or adding substituents to the azobenzene moiety can lead to marked changes in photophysical and photochemical properties, providing an opportunity to circumvent the use of a complex set-up that involves multiple light sources, lenses or mirrors. Here, by incorporating azobenzene derivatives with fast cis-to-trans thermal relaxation into liquid-crystal networks, we generate photoactive polymer films that exhibit continuous, directional, macroscopic mechanical waves under constant light illumination, with a feedback loop that is driven by self-shadowing. We explain the mechanism of wave generation using a theoretical model and numerical simulations, which show good qualitative agreement with our experiments. We also demonstrate the potential application of our photoactive films in light-driven locomotion and self-cleaning surfaces, and anticipate further applications in fields such as photomechanical energy harvesting and miniaturized transport.

  7. Isomeric rations study for the α + 70 Ge

    International Nuclear Information System (INIS)

    Hora Villano, M.H. da.

    1984-12-01

    Isomeric ratios for 73 Se F,I produced in the reaction α + 70 Ge with incidence laboratory energy ranging from 8 to 28 MeV, have been measured using off-line γ-ray spectroscopy. Relative formation cross-section for isomeric and ground states were obtained with NAT Ge targets. Compound nucleus statistical analyses were performed using computer codes Alice and Julian. Unlike to Alice code, the Julian code predictions agreed quite well with the experimental results. This agreement may be explained by the inclusion of the γ competition in the deexcitation channels of the compound nucleus and by the correct level density calculation of the emission probabilities in the Julian code. Finally angular momentum populations for isomers formations in the reaction 70 Ge(α, n) 73 have been determined. (author)

  8. Determination of the production rate of low intensity isomeric transitions

    International Nuclear Information System (INIS)

    Lakosi, L.; Veres, A.; Tam, N.C.; Pavlicsek, I.

    1992-01-01

    Flat 2π and cylindrical 4π multiwire proportional counters were built for counting for low energy internal conversion electrons from the nuclear isomers 83m Kr, 103m Rh and 189m Os, induced by irradiation with high intensity 60 Co and 4 MeV bremsstrahlung sources. The β-decay of 176m Lu was recorded by a plastic scintillator. In this way higher sensitivities were attained than by detecting γ-rays or characteristic X-rays associated with the isomeric transitions, and the excitation of 189m Os by low energy 137 Cs and 300 kV X-ray sources also became detectable. Comparatively large isomeric activities produced by linac irradiation were standardizing by a Ge spectrometer for calibrating proportional and scintillation counting. (orig.)

  9. Study of the isomeric states of 66As

    International Nuclear Information System (INIS)

    Czajkowski, S.; Blank, B.; Andriamonje, S.; Attallah, F.; Boue, F.; Davi, F.; Del Moral, R.; Fleury, A.; Musquere, A.; Pravikoff, M.S.; Dufour, J-P; Grzywacz, R.; Janas, Z.; Karny, M.; Pfuetzner, M.; Donzaud, C.; Grewe, A.; Heinz, A.; Junghans, A.; Lewitowicz, M.; Sauvestre, J-E.

    1997-01-01

    The most neutron-deficient isotopes in the N = Z region are an important source of information on the neutron-proton interaction far off stability. The isotopes in this region are characterized by an extreme sensitivity of the deformation to the isospin variations. Here the structure of deformed shells are favoring the high spin states the lifetime of which being sufficient long to be observed after flight time of the order of the microsecond. The study of the decay of this isomeric states permits to approach the structure of the first excited levels of this isotopes. Recent experiments at GANIL with the SISSI - LISE 3 spectrometer were performed to study the neutron deficient nucleus 66 As. This nucleus was produced in the fragmentation of 70 MeV/u 78 Kr primary beam in a nickel target. Two new isomeric states have been observed. From the observed γ transitions a decay scheme is proposed

  10. Surface study of mixtures containing cyclic ethers and isomeric chlorobutanes

    International Nuclear Information System (INIS)

    Royo, F.M.; Villares, A.; Martin, S.; Giner, B.; Lafuente, C.

    2007-01-01

    Experimental surface tensions and the corresponding surface tensions deviations for the mixtures containing 1,3-dioxolane or 1,4-dioxane and 1-chlorobutane, 2-chlorobutane, 1-chloro-2-methylpropane or 2-chloro-2-methylpropane, measured with a drop volume tensiometer, are reported at the temperatures of 298.15 K and 313.15 K. The excess surface concentrations of isomeric chlorobutanes are also evaluated using a monolayer model

  11. Deconstructing field-induced ketene isomerization through Lagrangian descriptors.

    Science.gov (United States)

    Craven, Galen T; Hernandez, Rigoberto

    2016-02-07

    The time-dependent geometrical separatrices governing state transitions in field-induced ketene isomerization are constructed using the method of Lagrangian descriptors. We obtain the stable and unstable manifolds of time-varying transition states as dynamic phase space objects governing configurational changes when the ketene molecule is subjected to an oscillating electric field. The dynamics of the isomerization reaction are modeled through classical trajectory studies on the Gezelter-Miller potential energy surface and an approximate dipole moment model which is coupled to a time-dependent electric field. We obtain a representation of the reaction geometry, over varying field strengths and oscillation frequencies, by partitioning an initial phase space into basins labeled according to which product state is reached at a given time. The borders between these basins are in agreement with those obtained using Lagrangian descriptors, even in regimes exhibiting chaotic dynamics. Major outcomes of this work are: validation and extension of a transition state theory framework built from Lagrangian descriptors, elaboration of the applicability for this theory to periodically- and aperiodically-driven molecular systems, and prediction of regimes in which isomerization of ketene and its derivatives may be controlled using an external field.

  12. Tetrazole acetic acid: Tautomers, conformers, and isomerization

    Energy Technology Data Exchange (ETDEWEB)

    Araujo-Andrade, C. [Unidad Académica de Física de la Universidad Autónoma de Zacatecas, Zacatecas (Mexico); Department of Chemistry, University of Coimbra, 3004-535 Coimbra (Portugal); Reva, I., E-mail: reva@qui.uc.pt; Fausto, R. [Department of Chemistry, University of Coimbra, 3004-535 Coimbra (Portugal)

    2014-02-14

    Monomers of (tetrazol-5-yl)-acetic acid (TAA) were obtained by sublimation of the crystalline compound and the resulting vapors were isolated in cryogenic nitrogen matrices at 13 K. The conformational and tautomeric composition of TAA in the matrix was characterized by infrared spectroscopy and vibrational calculations carried out at the B3LYP/6-311++G(d,p) level. TAA may adopt two tautomeric modifications, 1H- and 2H-, depending on the position of the annular hydrogen atom. Two-dimensional potential energy surfaces (PESs) of TAA were theoretically calculated at the MP2/6-311++G(d,p) level, for each tautomer. Four and six symmetry-unique minima were located on these PESs, for 1H- and 2H-TAA, respectively. The energetics of the detected minima was subsequently refined by calculations at the QCISD level. Two 1H- and three 2H-conformers fall within the 0–8 kJ mol{sup −1} energy range and should be appreciably populated at the sublimation temperature (∼330 K). Observation of only one conformer for each tautomer (1ccc and 2pcc) is explained in terms of calculated barriers to conformational rearrangements. All conformers with the cis O=COH moiety are separated by low barriers (less than 10 kJ mol{sup −1}) and collapse to the most stable 1ccc (1H-) and 2pcc (2H-) forms during deposition of the matrix. On the trans O=COH surfaces, the relative energies are very high (between 12 and 27 kJ mol{sup −1}). The trans forms are not thermally populated at the sublimation conditions and were not detected in matrices. One high-energy form in each tautomer, 1cct (1H-) and 2pct (2H-), was found to differ from the most stable form only by rotation of the OH group and separated from other forms by high barriers. This opened a perspective for their stabilization in a matrix. 1cct and 2pct were generated in the matrices selectively by means of narrow-band near-infrared (NIR) irradiations of the samples at 6920 and 6937 cm{sup −1}, where the first OH stretching overtone

  13. Tracer kinetic investigations on isomerization and synthesis of /sup 8/C-aromates. II. Isomerization of ethylbenzene by means of heterogeneous catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Dermietzel, J; Roesseler, M; Jockisch, W; Wienhold, C [Akademie der Wissenschaften der DDR, Leipzig. Zentralinstitut fuer Isotopen- und Strahlenforschung; Franke, H; Klempin, J; Barz, H J [VEB Petrolchemisches Kombinat Schwedt (German Democratic Republic)

    1978-01-01

    The mechanism of ethylbenzene isomerization on Pt/Al/sub 2/O/sub 3/ catalysts by means of /sup 14/C labelled compounds has been investigated, measuring the isotope distribution between ring and alkyl carbon atoms. The results suggest that ethylbenzene isomerizes via structure rearrangement involving ring carbon atoms. A similar mechanism takes place in xylene isomerization under increased hydrogen partial pressure, while under normal pressure 1,2-methyl group shifting is dominating. All three xylenes are formed from ethylbenzene by parallel reactions.

  14. Combined Function of Brønsted and Lewis Acidity in the Zeolite-Catalyzed Isomerization of Glucose to Fructose in Alcohols

    DEFF Research Database (Denmark)

    Shunmugavel, Saravanamurugan; Riisager, Anders; Taarning, Esben

    2016-01-01

    Glucose conversion via fructose to useful chemicals and fuels has attracted considerable attention. Isomerization of glucose to fructose can proceed along several different reaction pathways involving different sugar intermediates and isomeric forms. Presently, the roles of the substrate isomeric...

  15. Pion condensation and density isomerism in nuclear matter

    International Nuclear Information System (INIS)

    Hecking, P.; Weise, W.

    1979-01-01

    The possible existence of density isomers in nuclear matter, induced by pion condensation, is discussed; the nuclear equation of state is treated within the framework of the sigma model. Repulsive short-range baryon-baryon correlations, the admixture of Δ (1232) isobars and finite-range pion-baryon vertex form factors are taken into account. The strong dependence of density isomerism on the high density extrapolation of the equation of state for normal nuclear matter is also investigated. We find that, once finite range pion-baryon vertices are introduced, the appearance of density isomers becomes unlikely

  16. Synthesis of heterocycles through transition-metal-catalyzed isomerization reactions

    DEFF Research Database (Denmark)

    Ishøy, Mette; Nielsen, Thomas Eiland

    2014-01-01

    of structurally complex and diverse heterocycles. In this Concept article, we attempt to cover this area of research through a selection of recent versatile examples. A sea of opportunities! Transition-metal-catalyzed isomerization of N- and O-allylic compounds provides a mild, selective and synthetically...... versatile method to form iminium and oxocarbenium ions. Given the number of reactions involving these highly electrophilic intermediates, this concept provides a sea of opportunities for heterocycle synthesis, (see scheme; Nu=nucleophile). © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim....

  17. Isomeric island in the vicinity of 66Fe

    International Nuclear Information System (INIS)

    Daugas, J. M.; Belier, G.; Girod, M.; Goutte, H.; Meot, V.; Perru, O.; Roig, O.; Sauvestre, J. E.; Sawicka, M.; Pfuetzner, M.; Zylicz, J.; Matea, I.; Giovinazzo, J.; Grawe, H.; Becker, F.; Mayet, P.; Grzywacz, R.; Achouri, N. L.; Angelique, J. C.; Baiborodin, D.

    2006-01-01

    An island of isomers have recently been observed on both sides of the N=40 shell below the Ni isotopes. Isomeric states in the 65Fe and 67Fe allow the knowledge of the single particle structure around the νg9/2 shell. Moreover, the excitation energy of the first 2+ and 4+ states in the 68Fe have been established by β-γ correlation. The evolution of the structure of the Fe isotopes going far away from the valley of stability is, for the first time, given for N>40

  18. Fluctuation, thermal impurity depinning and commensurate-incommensurate transition of charge density waves on the (100) face of W

    International Nuclear Information System (INIS)

    Chui, S.T.

    1979-01-01

    Recent experiments on the (100) face of W with and without H are interpreted. The significance of large thermal fluctuations in low dimensionality situation and their observation in the present system is pointed out. A thermal impurity depinning transition is discussed. The existence of a commensurate-incommensurate transition as hydrogen coverage is changed is speculated. (author)

  19. 3D thermal simulations and modeling of multi-finger InP DHBTs for millimeter-wave power amplifiers

    DEFF Research Database (Denmark)

    Midili, Virginio; Nodjiadjim, V.; Johansen, Tom Keinicke

    2017-01-01

    This paper presents the comparison between the simulated and measured thermal resistance of InP Double Heterojunction Bipolar Transistors (DHBT). 3D thermal simulations were carried out in order to compute the temperature distribution across the full structure due to a constant power excitation...

  20. Membrane Materials and Technology for Xylene Isomers Separation and Isomerization via Pervaporation

    KAUST Repository

    Bilaus, Rakan

    2014-11-01

    P-xylene is one of the highly influential commodities in the petrochemical industry. It is used to make 90% of the world’s third largest plastic production, polyethylene terephthalate (PET). With a continuously increasing demand, the current technology’s high energy intensity has become a growing concern. Membrane separation technology is a potential low-energy alternative. Polymeric membranes were investigated in a pervaporation experiment to separate xylene isomers. Polymers of intrinsic microporosity (PIMs) as well as polyimides (PIM-PI), including thermally cross-linked PIM-1, PIM-6FDA-OH and thermally-rearranged PIM-6FDA-OH were investigated as potential candidates. Although they exhibited extremely high permeability to xylenes, selectivity towards p-xylene was poor. This was attributed to the polymers low chemical resistance which was apparent in their strong tendency to swell in xylenes. Consequently, a perfluoro-polymer, Teflon AF 2400, with a high chemical resistance was tested, which resulted in a slightly improved selectivity. A super acid sulfonated perfluoro-polymer (Nafion-H) was used as reactive membrane for xylenes isomerization. The membrane exhibited high catalytic activity, resulting in 19.5% p-xylene yield at 75ᵒC compared to 20% p-xylene yield at 450ᵒC in commercial fixed bed reactors. Nafion-H membrane outperforms the commercial technology with significant energy savings.

  1. Quantum optimal control pathways of ozone isomerization dynamics subject to competing dissociation: A two-state one-dimensional model

    International Nuclear Information System (INIS)

    Kurosaki, Yuzuru; Ho, Tak-San; Rabitz, Herschel

    2014-01-01

    We construct a two-state one-dimensional reaction-path model for ozone open → cyclic isomerization dynamics. The model is based on the intrinsic reaction coordinate connecting the cyclic and open isomers with the O 2 + O asymptote on the ground-state 1 A ′ potential energy surface obtained with the high-level ab initio method. Using this two-state model time-dependent wave packet optimal control simulations are carried out. Two possible pathways are identified along with their respective band-limited optimal control fields; for pathway 1 the wave packet initially associated with the open isomer is first pumped into a shallow well on the excited electronic state potential curve and then driven back to the ground electronic state to form the cyclic isomer, whereas for pathway 2 the corresponding wave packet is excited directly to the primary well of the excited state potential curve. The simulations reveal that the optimal field for pathway 1 produces a final yield of nearly 100% with substantially smaller intensity than that obtained in a previous study [Y. Kurosaki, M. Artamonov, T.-S. Ho, and H. Rabitz, J. Chem. Phys. 131, 044306 (2009)] using a single-state one-dimensional model. Pathway 2, due to its strong coupling to the dissociation channel, is less effective than pathway 1. The simulations also show that nonlinear field effects due to molecular polarizability and hyperpolarizability are small for pathway 1 but could become significant for pathway 2 because much higher field intensity is involved in the latter. The results suggest that a practical control may be feasible with the aid of a few lowly excited electronic states for ozone isomerization

  2. Xylose Isomerization with Zeolites in a Two-Step Alcohol–Water Process

    DEFF Research Database (Denmark)

    Paniagua, Marta; Shunmugavel, Saravanamurugan; Melián Rodriguez, Mayra

    2015-01-01

    Isomerization of xylose to xylulose was efficiently catalyzed by large-pore zeolites in a two-step methanol–water process that enhanced the product yield significantly. The reaction pathway involves xylose isomerization to xylulose, which, in part, subsequently reacts with methanol to form methyl...

  3. Control of structural isomerism in noncovalent hydrogen-bonded assemblies using peripheral chiral information

    NARCIS (Netherlands)

    Prins, L.J.; Jolliffe, K.A.; Hulst, A.J.R.L.; Timmerman, P.; Reinhoudt, David

    2000-01-01

    The results of a systematic study of the structural isomerism in more than 30 noncovalent hydrogen-bonded assemblies are described. These dynamic assemblies, composed of three calix[4]arene dimelamines and six barbiturates/cyanurates, can be present in three isomeric forms with either D3, C3h, or Cs

  4. Iridium-Catalyzed Dynamic Kinetic Isomerization: Expedient Synthesis of Carbohydrates from Achmatowicz Rearrangement Products.

    Science.gov (United States)

    Wang, Hao-Yuan; Yang, Ka; Bennett, Scott R; Guo, Sheng-rong; Tang, Weiping

    2015-07-20

    A highly stereoselective dynamic kinetic isomerization of Achmatowicz rearrangement products was discovered. This new internal redox isomerization provided ready access to key intermediates for the enantio- and diastereoselective synthesis of a series of naturally occurring sugars. The nature of the de novo synthesis also enables the preparation of both enantiomers. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Analysis of Optimal Process Flow Diagrams of Light Naphtha Isomerization Process by Mathematic Modelling Method

    OpenAIRE

    Chuzlov, Vyacheslav Alekseevich; Molotov, Konstantin

    2016-01-01

    An approach to simulation of hydrocarbons refining processes catalytic reactors. The kinetic and thermodynamic research of light naphtha isomerization process was conducted. The kinetic parameters of hydrocarbon feedstock chemical conversion on different types of platinum-content catalysts was established. The estimation of efficiency of including different types of isomerization technologies in oil refinery flow diagram was performed.

  6. Green Synthesis of Carvenone by Montmorillonite-Catalyzed Isomerization of 1,2-Limonene Oxide

    DEFF Research Database (Denmark)

    Nguyen, Thao-Tran Thi; Chau, Duy-Khiem Nguyen; Duus, Fritz

    2013-01-01

    Montmorillonite was considered as a good heterogeneous catalyst for the isomerization of 1,2-limonene oxide into car-venone under solvent-free condition. Both conventional heating and green activations were tested in this research. The microwave-assisted isomerization afforded carvenone in high...

  7. Analysis of Optimal Process Flow Diagrams of Light Naphtha Isomerization Process by Mathematic Modelling Method

    Directory of Open Access Journals (Sweden)

    Chuzlov Vjacheslav

    2016-01-01

    Full Text Available An approach to simulation of hydrocarbons refining processes catalytic reactors. The kinetic and thermodynamic research of light naphtha isomerization process was conducted. The kinetic parameters of hydrocarbon feedstock chemical conversion on different types of platinum-content catalysts was established. The estimation of efficiency of including different types of isomerization technologies in oil refinery flow diagram was performed.

  8. Tandem ring-closing metathesis/isomerization reactions for the total synthesis of violacein

    DEFF Research Database (Denmark)

    Petersen, Mette Terp; Nielsen, Thomas Eiland

    2013-01-01

    A series of 5-substituted 2-pyrrolidinones was synthesized through a one-pot ruthenium alkylidene-catalyzed tandem RCM/isomerization/nucleophilic addition sequence. The intermediates resulting from RCM/isomerization showed reactivity toward electrophiles in aldol condensation reactions which...

  9. Multi-arrangement quantum dynamics in 6D: cis-trans isomerization and 1,3-hydrogen transfer in HONO

    International Nuclear Information System (INIS)

    Luckhaus, David

    2004-01-01

    The overtone spectrum and wave packet dynamics of nitrous acid (HONO) are studied with a global six-dimensional potential energy function interpolated directly from density functional calculations together with the corresponding dipole hypersurfaces. The quantum dynamics for the cis-trans isomerization and the symmetric 1,3-hydrogen transfer are treated in full dimensionality in terms of the generalized Z-matrix discrete variable representation. For the quantum mechanical description of complicated rearrangements a new approach to multi-arrangement quantum dynamics is introduced and applied to the symmetric hydrogen exchange tunneling in cis-HONO. The cis-trans isomerization is found to be dominated by adiabatic barrier crossing with only minor tunneling contributions, but with pronounced mode selectivity. The OH-stretching overtones of trans-HONO are adiabatically almost completely separated from the OH torsional dynamics with extremely slow intramolecular energy redistribution. The 1,3-hydrogen transfer, by contrast, proceeds largely via coherent tunneling even significantly below the barrier. The process is clearly non-adiabatic (at least in terms of valence coordinates) but remains highly state specific. While the absorption spectrum of trans-HONO remains largely unaffected, OH-stretching overtones of cis-HONO (above the barrier between 2ν OH and 3ν OH ) decompose into highly fragmented absorption patterns with corresponding tunneling periods on the picosecond time scale

  10. Excitation functions and isomeric ratios for the isomeric pair sup(106m)Ag and sup(106g)Ag in the 107Ag (d,t) reaction

    International Nuclear Information System (INIS)

    Lalli, M.E.; Wasilevsky de Lammirato, C.; Herreros, O.R.; Nassiff, S.J.

    1976-09-01

    Excitation functions and isomeric cross section ratios have been measured for the 107 Ag (d,t), reaction in which the isomeric pair sup(106m/106g)Ag is produced. Thick-target yields have been determined for different irradiation times and as a function of deuteron energy. Stacked silver foils with aluminium foils as monitors were bombarded with deuterons up to 27 MeV and the activities of products measured with a calibrated Ge(Li) counter. (author) [es

  11. Process for paraffin isomerization of a distillate range hydrocarbon feedstock

    Energy Technology Data Exchange (ETDEWEB)

    Chen, N.Y.; Garwood, W.E.; McCullen, S.B.

    1993-01-19

    Various catalytic processes have been proposed to isomerize n-paraffins so as to lower the pour point of distillate range hydrocarbon feedstocks. However, many available feedstocks contain nitrogen impurities which tend to poison conventional paraffin isomerization catalysts. A process has been developed to obviate or alleviate this problem. According to the invention, the paraffin-containing feedstock is contacted with a crystalline aluminosilicate zeolite catalyst having pore openings defined by a ratio of sorption of n-hexane to o-xylene of over 3 vol % and the ability to crack 3-methylpentane in preference to 2,3 dimethylbutane under defined conditions. The zeolite catalyst includes a Group VIII metal and has a zeolite SiO[sub 2]/Al[sub 2]O[sub 3] ratio of at least 20:1. The contacting is carried out at 199-454 C and a pressure of 100-1,000 psig, preferably 250-600 psig. The group of medium pore zeolites which can be used in the process of the invention includes ZSM-22, ZSM-23, and ZSM-35. The Group VIII metals used in the catalyst are preferably selected from Pt, Pd, Ir, Os, Rh, and Ru and the metal is preferably incorporated into the zeolite by ion exchange up to a metal content of preferably 0.1-3 wt %. Experiments are described to illustrate the invention. 1 tab.

  12. Computational Studies of Bridging Structures and Isomerism in Substituted Disilynes.

    Science.gov (United States)

    Serafin, Lukasz M; Law, Mark M; van Mourik, Tanja

    2013-06-11

    The substituted disilyne molecules, Si2Li2 and Si2HX, where X = Li, F, and Cl, have been investigated using the high-level CCSD(T) and CCSD(T)-F12 ab initio methods. The calculations have found or confirmed the existence of several isomeric forms and transition states for each molecule. Optimized geometries, relative energies, and harmonic vibration frequencies are reported. Bridging structures exist in all cases. Comparisons are made with existing literature results for the related Si2H2, C2X2, and C2HX isomerizing systems. Additionally, CCSD(T) and CCSD(T)-F12 calculations were performed for Si2H2, for which experimental spectroscopic data are available. Results calculated with CCSD(T)-F12 and the cc-pVTZ-F12 basis set are of comparable quality as those computed with CCSD(T) and the much larger cc-pV(6+d)Z basis set, at much less computational cost. We recommend the CCSD(T)-F12/cc-pVTZ-F12 level of theory as a very attractive alternative to conventional CCSD(T).

  13. Low-lying isomeric levels in Cu75

    Science.gov (United States)

    Daugas, J. M.; Faul, T.; Grawe, H.; Pfützner, M.; Grzywacz, R.; Lewitowicz, M.; Achouri, N. L.; Angélique, J. C.; Baiborodin, D.; Bentida, R.; Béraud, R.; Borcea, C.; Bingham, C. R.; Catford, W. N.; Emsallem, A.; de France, G.; Grzywacz, K. L.; Lemmon, R. C.; Lopez Jimenez, M. J.; de Oliveira Santos, F.; Regan, P. H.; Rykaczewski, K.; Sauvestre, J. E.; Sawicka, M.; Stanoiu, M.; Sieja, K.; Nowacki, F.

    2010-03-01

    Isomeric low-lying states were identified and investigated in the Cu75 nucleus. Two states at 61.8(5)- and 128.3(7)-keV excitation energies with half-lives of 370(40)- and 170(15)-ns were assigned as Cu75m1 and Cu75m2, respectively. The measured half-lives combined with the recent spin assignment of the ground state allow one to deduce tentatively spin and parity of the two isomers and the dominant multipolarities of the isomeric transitions with respect to the systematics of the Cu isotopes. Shell-model calculations using an up-to-date effective interaction reproduce the evolution of the 1/2-, 3/2-, and 5/2- states for the neutron-rich odd-mass Cu isotopes when filling the νg9/2. The results indicate a significant change in the nuclear structure in this region, where a single-particle 5/2- state coexists with more and more collective 3/2- and 1/2- levels at low excitation energies.

  14. Destabilization in the isomeric nitrobenzonitriles: an experimental thermochemical study

    International Nuclear Information System (INIS)

    Roux, Maria Victoria; Jimenez, Pilar; Davalos, Juan Z.; Temprado, Manuel; Liebman, Joel F.

    2003-01-01

    The enthalpies of combustion and of sublimation, respectively, of the three isomeric nitrobenzonitriles have been measured: o-, {(-3456.3±2.9), (88.1±1.4)} kJ·mol -1 ; m-, {(-3442.8±3.3), (92.8±0.3)} kJ·mol -1 ; p-, {(-3448.2±3.6), (91.1±1.3)} kJ·mol -1 . In turn, from these values, the standard molar enthalpies of formation for the condensed and gaseous state, respectively, have been derived: o-, {(130.1±3.1), (218.2±3.4)} kJ·mol -1 ; m-, {(116.5±3.5), (209.3±3.5)} kJ·mol -1 ; p-, {(122.0±3.8), (213.1±4.0)} kJ·mol -1 . Destabilization energies associated with the presence of the two electron-withdrawing groups have been determined, for o-, m-, and p-nitrobenzonitrile, {(17.6±4.1), (8.7±4.2), and (12.5±4.6)} kJ·mol -1 , respectively, and are consistent with those obtained for the corresponding sets of isomeric methyl benzenedicarboxylates, dicyanobenzenes, dinitrobenzenes, and (neutral and ionized) nitrobenzoic acids

  15. Catalyst compositions useful for olefin isomerization and disproportionation

    International Nuclear Information System (INIS)

    Drake, C.A.

    1987-01-01

    A process is described for the double bond isomerization of an aliphatic olefinic hydrocarbon feed which comprises contacting the feed under isomerization conditions with a catalyst prepared by: (a) impregnating an alumina support having a surface area of at least 200 m/sup 2//g and a pore volume of at least 0.45 cm/sup 3//g with: 1 up to 20 wt. % of at least one magnesium compound convertible to the oxide, based on the weight of support and calculated as the metal; 0 up to 5 wt. % of at least one alkali metal compound convertible to the oxide, based on the weight of support and calculated as the metal; and 0 up to 5 wt. % of at least one zirconium compound convertible to the oxide, based on the weight of support and calculated as the metal; and (b) heating the alumina support impregnated in accordance with step (a) in an oxygen-containing atmosphere under conditions suitable to convert at least a portion of the magnesium, alkali metal, and zirconium compounds to the oxide form

  16. Single frequency thermal wave radar: A next-generation dynamic thermography for quantitative non-destructive imaging over wide modulation frequency ranges.

    Science.gov (United States)

    Melnikov, Alexander; Chen, Liangjie; Ramirez Venegas, Diego; Sivagurunathan, Koneswaran; Sun, Qiming; Mandelis, Andreas; Rodriguez, Ignacio Rojas

    2018-04-01

    Single-Frequency Thermal Wave Radar Imaging (SF-TWRI) was introduced and used to obtain quantitative thickness images of coatings on an aluminum block and on polyetherketone, and to image blind subsurface holes in a steel block. In SF-TWR, the starting and ending frequencies of a linear frequency modulation sweep are chosen to coincide. Using the highest available camera frame rate, SF-TWRI leads to a higher number of sampled points along the modulation waveform than conventional lock-in thermography imaging because it is not limited by conventional undersampling at high frequencies due to camera frame-rate limitations. This property leads to large reduction in measurement time, better quality of images, and higher signal-noise-ratio across wide frequency ranges. For quantitative thin-coating imaging applications, a two-layer photothermal model with lumped parameters was used to reconstruct the layer thickness from multi-frequency SF-TWR images. SF-TWRI represents a next-generation thermography method with superior features for imaging important classes of thin layers, materials, and components that require high-frequency thermal-wave probing well above today's available infrared camera technology frame rates.

  17. Single frequency thermal wave radar: A next-generation dynamic thermography for quantitative non-destructive imaging over wide modulation frequency ranges

    Science.gov (United States)

    Melnikov, Alexander; Chen, Liangjie; Ramirez Venegas, Diego; Sivagurunathan, Koneswaran; Sun, Qiming; Mandelis, Andreas; Rodriguez, Ignacio Rojas

    2018-04-01

    Single-Frequency Thermal Wave Radar Imaging (SF-TWRI) was introduced and used to obtain quantitative thickness images of coatings on an aluminum block and on polyetherketone, and to image blind subsurface holes in a steel block. In SF-TWR, the starting and ending frequencies of a linear frequency modulation sweep are chosen to coincide. Using the highest available camera frame rate, SF-TWRI leads to a higher number of sampled points along the modulation waveform than conventional lock-in thermography imaging because it is not limited by conventional undersampling at high frequencies due to camera frame-rate limitations. This property leads to large reduction in measurement time, better quality of images, and higher signal-noise-ratio across wide frequency ranges. For quantitative thin-coating imaging applications, a two-layer photothermal model with lumped parameters was used to reconstruct the layer thickness from multi-frequency SF-TWR images. SF-TWRI represents a next-generation thermography method with superior features for imaging important classes of thin layers, materials, and components that require high-frequency thermal-wave probing well above today's available infrared camera technology frame rates.

  18. Transient thermal stress wave and vibrational analyses of a thin diamond crystal for X-ray free-electron lasers under high-repetition-rate operation.

    Science.gov (United States)

    Yang, Bo; Wang, Songwei; Wu, Juhao

    2018-01-01

    High-brightness X-ray free-electron lasers (FELs) are perceived as fourth-generation light sources providing unprecedented capabilities for frontier scientific researches in many fields. Thin crystals are important to generate coherent seeds in the self-seeding configuration, provide precise spectral measurements, and split X-ray FEL pulses, etc. In all of these applications a high-intensity X-ray FEL pulse impinges on the thin crystal and deposits a certain amount of heat load, potentially impairing the performance. In the present paper, transient thermal stress wave and vibrational analyses as well as transient thermal analysis are carried out to address the thermomechanical issues for thin diamond crystals, especially under high-repetition-rate operation of an X-ray FEL. The material properties at elevated temperatures are considered. It is shown that, for a typical FEL pulse depositing tens of microjoules energy over a spot of tens of micrometers in radius, the stress wave emission is completed on the tens of nanoseconds scale. The amount of kinetic energy converted from a FEL pulse can reach up to ∼10 nJ depending on the layer thickness. Natural frequencies of a diamond plate are also computed. The potential vibrational amplitude is estimated as a function of frequency. Due to the decreasing heat conductivity with increasing temperature, a runaway temperature rise is predicted for high repetition rates where the temperature rises abruptly after ratcheting up to a point of trivial heat damping rate relative to heat deposition rate.

  19. Isomerization and Fragmentation of Cyclohexanone in a Heated Micro-Reactor.

    Science.gov (United States)

    Porterfield, Jessica P; Nguyen, Thanh Lam; Baraban, Joshua H; Buckingham, Grant T; Troy, Tyler P; Kostko, Oleg; Ahmed, Musahid; Stanton, John F; Daily, John W; Ellison, G Barney

    2015-12-24

    The thermal decomposition of cyclohexanone (C6H10═O) has been studied in a set of flash-pyrolysis microreactors. Decomposition of the ketone was observed when dilute samples of C6H10═O were heated to 1200 K in a continuous flow microreactor. Pyrolysis products were detected and identified by tunable VUV photoionization mass spectroscopy and by photoionization appearance thresholds. Complementary product identification was provided by matrix infrared absorption spectroscopy. Pyrolysis pressures were roughly 100 Torr, and contact times with the microreactors were roughly 100 μs. Thermal cracking of cyclohexanone appeared to result from a variety of competing pathways, all of which open roughly simultaneously. Isomerization of cyclohexanone to the enol, cyclohexen-1-ol (C6H9OH), is followed by retro-Diels-Alder cleavage to CH2═CH2 and CH2═C(OH)-CH═CH2. Further isomerization of CH2═C(OH)-CH═CH2 to methyl vinyl ketone (CH3CO-CH═CH2, MVK) was also observed. Photoionization spectra identified both enols, C6H9OH and CH2═C(OH)-CH═CH2, and the ionization threshold of C6H9OH was measured to be 8.2 ± 0.1 eV. Coupled cluster electronic structure calculations were used to establish the energetics of MVK. The heats of formation of MVK and its enol were calculated to be ΔfH298(cis-CH3CO-CH═CH2) = -26.1 ± 0.5 kcal mol(-1) and ΔfH298(s-cis-1-CH2═C(OH)-CH═CH2) = -13.7 ± 0.5 kcal mol(-1). The reaction enthalpy ΔrxnH298(C6H10═O → CH2═CH2 + s-cis-1-CH2═C(OH)-CH═CH2) is 53 ± 1 kcal mol(-1) and ΔrxnH298(C6H10═O → CH2═CH2 + cis-CH3CO-CH═CH2) is 41 ± 1 kcal mol(-1). At 1200 K, the products of cyclohexanone pyrolysis were found to be C6H9OH, CH2═C(OH)-CH═CH2, MVK, CH2CHCH2, CO, CH2═C═O, CH3, CH2═C═CH2, CH2═CH-CH═CH2, CH2═CHCH2CH3, CH2═CH2, and HC≡CH.

  20. Thermal isomerizations of monothiolated carboranes (HS)C2B10H11 and the solidstate investigation of 9-(HS)-1,2-C2B10H11 and 9-(HS)-1,7-C2B10H11

    Czech Academy of Sciences Publication Activity Database

    Baše, Tomáš; Macháček, Jan; Hájková, Zuzana; Langecker, Jens; Kennedy, John David; Carr, MJ.

    2015-01-01

    Roč. 798, č. 1 (2015), s. 132-140 ISSN 0022-328X R&D Projects: GA ČR GAP205/10/0348 Institutional support: RVO:61388980 Keywords : Carboranethiol * Isomerisation * Thermal Stability * Closo-dicarbadodecaboranes * Closo-dicarbadodecaborane thiol Subject RIV: CA - Inorganic Chemistry Impact factor: 2.336, year: 2015

  1. Measurements of the Young's modulus of hydroxide catalysis bonds, and the effect on thermal noise in ground-based gravitational wave detectors

    Science.gov (United States)

    Phelps, Margot; van Veggel, Anna-Maria; Hough, James; Messenger, Chris; Hughes, David; Cunningham, William; Haughian, Karen; Rowan, Sheila

    2018-05-01

    With the outstanding results from the detection and observation of gravitational waves from coalescing black holes and neutron star inspirals, it is essential that pathways to further improve the sensitivities of the LIGO and VIRGO detectors are explored. There are a number of factors that potentially limit the sensitivities of the detectors. One such factor is thermal noise, a component of which results from the mechanical loss in the bond material between the silica fibre suspensions and the test mass mirrors. To calculate its magnitude, the Young's modulus of the bond material has to be known with reasonable accuracy. In this paper we present a new combination of ultrasonic technology and Bayesian analysis to measure the Young's modulus of hydroxide catalysis bonds between fused silica substrates. Using this novel technique, we measure the bond Young's modulus to be 18.5 ±2.32.0 GPa . We show that by applying this value to thermal noise models of bonded test masses with suitable attachment geometries, a reduction in suspension thermal noise consistent with an overall design sensitivity improvement allows a factor of 5 increase in event rate to be achieved.

  2. β-γ and isomeric decay spectroscopy of 168Dy

    Directory of Open Access Journals (Sweden)

    Zhang G.X.

    2018-01-01

    Full Text Available This contribution will report on the experimental work on the level structure of 168Dy. The experimental data have been taken as part of the EURICA decay spectroscopy campaign at RIBF, RIKEN in November 2014. In the experiment, a 238U primary beam is accelerated up to 345 MeV/u with an average intensity of 12 pnA. The nuclei of interest are produced by in-flight fission of 238U impinging on Be target with a thickness of 5 mm. The excited states of 168Dy have been populated through the decay from a newly identified isomeric state and via the β decay from 168Tb. In this contribution, scientific motivations, experimental procedure and some preliminary results for this study are presented.

  3. β-γ and isomeric decay spectroscopy of 168Dy

    Science.gov (United States)

    Zhang, G. X.; Watanabe, H.; Kondev, F. G.; Lane, G. J.; Regan, P. H.; Söderström, P.-A.; Walker, P. M.; Kanaoka, H.; Korkulu, Z.; Lee, P. S.; Liu, J. J.; Nishimura, S.; Wu, J.; Yagi, A.; Ahn, D. S.; Alharbi, T.; Baba, H.; Browne, F.; Bruce, A. M.; Carroll, R. J.; Chae, K. Y.; Dombradi, Zs.; Doornenbal, P.; Estrade, A.; Fukuda, N.; Griffin, C.; Ideguchi, E.; Inabe, N.; Isobe, T.; Kanaya, S.; Kojouharov, I.; Kubo, T.; Kubono, S.; Kurz, N.; Kuti, I.; Lalkovski, S.; Lee, C. S.; Lee, E. J.; Lorusso, G.; Lotay, G.; Moon, C.-B.; Nishizuka, I.; Nita, C. R.; Odahara, A.; Patel, Z.; Phong, V. H.; Podolyák, Zs.; Roberts, O. J.; Sakurai, H.; Schaffner, H.; Shand, C. M.; Shimizu, Y.; Sumikama, T.; Suzuki, H.; Takeda, H.; Terashima, S.; Vajta, Zs.; Valiente-Dóbon, J. J.; Xu, Z. Y.

    2018-05-01

    This contribution will report on the experimental work on the level structure of 168Dy. The experimental data have been taken as part of the EURICA decay spectroscopy campaign at RIBF, RIKEN in November 2014. In the experiment, a 238U primary beam is accelerated up to 345 MeV/u with an average intensity of 12 pnA. The nuclei of interest are produced by in-flight fission of 238U impinging on Be target with a thickness of 5 mm. The excited states of 168Dy have been populated through the decay from a newly identified isomeric state and via the β decay from 168Tb. In this contribution, scientific motivations, experimental procedure and some preliminary results for this study are presented.

  4. Technical damage analysis of a mechanical seal based on thermal waves and correlated with EDX and SEM

    Science.gov (United States)

    Haj-Daoud, A.; Katscher, U.; Bein, B. K.; Pelzl, J.; Bach, H.; Oswald, W.

    1999-03-01

    A seal which had been in contact with sea water of high salt concentration, has been analysed, in order to characterize the erosion effects and throw light on the erosion mechanisms. The measured effective thermal depth profiles have been interpreted phenomenologically and have been correlated with energy-dispersive X-ray microanalysis (EDX) and scanning electron microscopy (SEM).

  5. Theoretical study of isomerization and decomposition of propenal

    International Nuclear Information System (INIS)

    Chin, Chih-Hao; Lee, Shih-Huang

    2011-01-01

    We investigated the dynamics of isomerization and multi-channel dissociation of propenal (CH 2 CHCHO), methyl ketene (CH 3 CHCO), hydroxyl propadiene (CH 2 CH 2 CHOH), and hydroxyl cyclopropene (cyclic-C 3 H 3 -OH) in the ground potential-energy surface using quantum-chemical calculations. Optimized structures and vibrational frequencies of molecular species were computed with method B3LYP/6-311G(d,p). Total energies of molecules at optimized structures were computed at the CCSD(T)/6-311+G(3df,2p) level of theory. We established the potential-energy surface for decomposition to CH 2 CHCO + H, CH 2 CH + HCO, CH 2 CH 2 /CH 3 CH + CO, CHCH/CH 2 C + H 2 CO, CHCCHO/CH 2 CCO + H 2 , CHCH + CO + H 2 , CH 3 + HCCO, CH 2 CCH + OH, and CH 2 CC/cyclic-C 3 H 2 + H 2 O. Microcanonical rate coefficients of various reactions of trans-propenal with internal energies 148 and 182 kcal mol -1 were calculated using Rice-Ramsperger-Kassel-Marcus and Variational transition state theories. Product branching ratios were derivable using numerical integration of kinetic master equations and the steady-state approximation. The concerted three-body dissociation of trans-propenal to fragments C 2 H 2 + CO + H 2 is the prevailing channel in present calculations. In contrast, C 3 H 3 O + H, C 2 H 3 + HCO and C 2 H 4 + CO were identified as major channels in the photolysis of trans-propenal. The discrepancy between calculations and experiments in product branching ratios indicates that the three major photodissociation channels occur mainly on an excited potential-energy surface whereas the other channels occur mainly on the ground potential-energy surface. This work provides profound insight in the mechanisms of isomerization and multichannel dissociation of the system C 3 H 4 O.

  6. Ti-Catalyzed Selective Isomerization of Terminal Mono-substituted Olefins

    International Nuclear Information System (INIS)

    Lee, Hyung Soo; Lee, Gab Yong

    2005-01-01

    The isomerization of olefins occurs either by a metal hydride addition-elimination or by a π-allyl metal hydride intermediate. HCo(CO) 4 , [(C 2 H 4 ) 2 RhCl] 2 , Ni[P(OEt) 3 ] 4 , and PtCl 2 (PPh 3 ) 2 -SnCl 2 are effective catalysts for isomerization of olefins via a metal hydride addition-elimination mechanism, 3,4 and Fe 3 (CO) 12 catalyzed isomerization of 3-ethyl-1-pentene and isomerization of 1-heptene catalyzed by (PhCN) 2 PdCl 2 occur via a π-allyl metal hydride mechanism. The cis/trans ratio of 2-butene obtained from isomerization of 1-butene by RhH(CO)(PPh 3 ) 3 has also been investigated. The skeletal isomerization of olefins catalyzed by (R 3 P) 2 NiCl 2 is developed such as conversion of cis-1,4-hexadiene to trans-2-methyl-1,3-pentadiene. Titanium complexes serve as an effective catalysts for a variety of reactions such as hydroalumination, hydroboration, and hydrogenation of unsaturated hydrocarbons. We have been interested in the selective reactions of unsaturated hydrocarbons by using titanium and zirconium compounds. The reagent system composed of LiAlH 4 /Cp 2 TiCl 2 ≤ 2 in the molar ratio promotes the isomerization of 1-octene, but the detailed reaction for isomerization of olefins has not been reported. We report here a selective isomerization of olefins with low valent titanium complex generated from Cp 2 TiCl 2 (Cp=cyclopentadienyl) and LiAlH 4

  7. How to compute isomerization energies of organic molecules with quantum chemical methods.

    Science.gov (United States)

    Grimme, Stefan; Steinmetz, Marc; Korth, Martin

    2007-03-16

    The reaction energies for 34 typical organic isomerizations including oxygen and nitrogen heteroatoms are investigated with modern quantum chemical methods that have the perspective of also being applicable to large systems. The experimental reaction enthalpies are corrected for vibrational and thermal effects, and the thus derived "experimental" reaction energies are compared to corresponding theoretical data. A series of standard AO basis sets in combination with second-order perturbation theory (MP2, SCS-MP2), conventional density functionals (e.g., PBE, TPSS, B3-LYP, MPW1K, BMK), and new perturbative functionals (B2-PLYP, mPW2-PLYP) are tested. In three cases, obvious errors of the experimental values could be detected, and accurate coupled-cluster [CCSD(T)] reference values have been used instead. It is found that only triple-zeta quality AO basis sets provide results close enough to the basis set limit and that sets like the popular 6-31G(d) should be avoided in accurate work. Augmentation of small basis sets with diffuse functions has a notable effect in B3-LYP calculations that is attributed to intramolecular basis set superposition error and covers basic deficiencies of the functional. The new methods based on perturbation theory (SCS-MP2, X2-PLYP) are found to be clearly superior to many other approaches; that is, they provide mean absolute deviations of less than 1.2 kcal mol-1 and only a few (computational thermochemistry methods.

  8. Synthesis, characterization and ESR study of polyesters containing isomeric naphthylene units by gamma irradiation

    International Nuclear Information System (INIS)

    Choi, B.K.; Hill, D.J.T.; Choi, E.J.; Ahn, H.K.

    1998-01-01

    Full text: Aromatic polyesters containing naphthalene groups have interesting properties because the geometry of the naphthalene group can provide many of the structural features for the polymer chain. In this study we synthesized six polyesters from 4,4 ' - (hexafluoroisopropyl-idene)bis(benzoic acid) and isomeric naphthylene-diols. An ESR study of the radicals formed on gamma radiolysis of the polyesters has been undertaken to investigate their relative radiation sensitivities. The structures of the polyesters were characterized by means of IR spectroscopy. Inherent viscosities were measured in the range of 0.11 - 0.46 dL/g. Thermal properties of polyesters were determined by DSC and TGA thermograms, respectively. All polyesters were irradiated in an AECL Gamma cell with a dose rate of approximately 6.7kGy h -1 to doses in the range of 0 - 15kGy at 77K and 300K, respectively. In order to identify other radicals present at 77K, annealing studies were utilized by taking advantage of the different reactivities of these radicals

  9. Scope and mechanism in palladium-catalyzed isomerizations of highly substituted allylic, homoallylic, and alkenyl alcohols.

    Science.gov (United States)

    Larionov, Evgeny; Lin, Luqing; Guénée, Laure; Mazet, Clément

    2014-12-03

    Herein we report the palladium-catalyzed isomerization of highly substituted allylic alcohols and alkenyl alcohols by means of a single catalytic system. The operationally simple reaction protocol is applicable to a broad range of substrates and displays a wide functional group tolerance, and the products are usually isolated in high chemical yield. Experimental and computational mechanistic investigations provide complementary and converging evidence for a chain-walking process consisting of repeated migratory insertion/β-H elimination sequences. Interestingly, the catalyst does not dissociate from the substrate in the isomerization of allylic alcohols, whereas it disengages during the isomerization of alkenyl alcohols when additional substituents are present on the alkyl chain.

  10. New isomeric states in 152,154,156Nd produced by spontaneous fission of 252Cf

    International Nuclear Information System (INIS)

    Gautherin, C.; Houry, M.; Korten, W.; Le Coz, Y.; Lucas, R.; Phan, X.H.; Theisen, C.; Belier, G.; Girod, M.; Meot, V.; Peru, S.; Astier, A.; Ducroux, L.; Meyer, M.; Redon, N.

    1998-01-01

    Isomeric states have been observed in fission-fragments produced by spontaneous fission of 252 Cf. These states are found in neutron rich nuclei of different structure and deformations. About 50 isomeric nuclei have been observed using coincidences between γ-rays identified in EUROGAM II and fission fragments detected in photovoltaic cells (SAPhIR). Lifetimes in the range from 20 ns to 2μs have been measured. Presented calculations based on HFB+D1S force on new measured isomeric states in the 152,154,156 Nd show evidence for K-isomers. (orig.)

  11. Isomerization of glucose into fructose by environmentally friendly Fe/β zeolite catalysts.

    Science.gov (United States)

    Xu, Siquan; Zhang, Lei; Xiao, Kehao; Xia, Haian

    2017-06-29

    Herein, the environmentally friendly Fe/β zeolite for glucose isomerization to fructose in aqueous media was reported for the first time. The effects of various reaction conditions including reaction temperature, reaction time, catalyst dosage, etc. on the isomerization reaction over Fe/β zeolite were studied in detail. Under the optimized conditions, yield of fructose higher than 20% were obtained. Moreover, the Fe/β zeolite catalysts were stable and remained constant catalytic activity after five consecutive runs. The possible active Fe species for isomerization of glucose in Fe/β zeolite is also discussed. Copyright © 2017 Elsevier Ltd. All rights reserved.

  12. Direct Measurement of the Isomerization Barrier of the Isolated Retinal Chromophore

    DEFF Research Database (Denmark)

    Dilger, Jonathan; Musbat, Lihi; Sheves, Mordechai

    2015-01-01

    Isomerizations of the retinal chromophore were investigated using the IMS-IMS technique. Four different structural features of the chromophore were observed, isolated, excited collisionally, and the resulting isomer and fragment distributions were measured. By establishing the threshold activatio...

  13. Glucose Isomerization by Enzymes and Chemo-catalysts: Status and Current Advances

    DEFF Research Database (Denmark)

    Li, Hu; Yang, Song; Saravanamurugan, Shunmugavel

    2017-01-01

    of isomerization of aldoses in terms of yields, catalysts, solvents, catalytic systems, etc., by both enzymatic and chemo-catalytic approaches. Among aldose ketose interconversion reactions, fructose production by glucose isomerization to make high-fructose corn syrup (HFCS) is an industrially important and large....../intermediate fructose. This review focuses on how both enzyme and chemo-catalysts are being useful for the isomerization of glucose to fructose. Specifically, development of Lewis acid containing zeolites for glucose isomerization is reviewed in detail, including mechanism, isotopic labeling, and computational studies....... biocatalytic process today, and a large number of studies have been reported on the process development. In parallel, also alternative chemo-catalytic systems have emerged, as enzymatic conversion has drawbacks, though they are typically more selective and produce fructose under mild reaction conditions...

  14. Thermal wave propagation in blood perfused tissues under hyperthermia treatment for unique oscillatory heat flux at skin surface and appropriate initial condition

    Science.gov (United States)

    Dutta, Jaideep; Kundu, Balaram

    2018-05-01

    This paper aims to develop an analytical study of heat propagation in biological tissues for constant and variable heat flux at the skin surface correlated with Hyperthermia treatment. In the present research work we have attempted to impose two unique kind of oscillating boundary condition relevant to practical aspect of the biomedical engineering while the initial condition is constructed as spatially dependent according to a real life situation. We have implemented Laplace's Transform method (LTM) and Green Function (GFs) method to solve single phase lag (SPL) thermal wave model of bioheat equation (TWMBHE). This research work strongly focuses upon the non-invasive therapy by employing oscillating heat flux. The heat flux at the skin surface is considered as constant, sinusoidal, and cosine forms. A comparative study of the impact of different kinds of heat flux on the temperature field in living tissue explored that sinusoidal heat flux will be more effective if the time of therapeutic heating is high. Cosine heating is also applicable in Hyperthermia treatment due to its precision in thermal waveform. The result also emphasizes that accurate observation must be required for the selection of phase angle and frequency of oscillating heat flux. By possible comparison with the published experimental research work and published mathematical study we have experienced a difference in temperature distribution as 5.33% and 4.73%, respectively. A parametric analysis has been devoted to suggest an appropriate procedure of the selection of important design variables in viewpoint of an effective heating in hyperthermia treatment.

  15. Mechanistic features of isomerizing alkoxycarbonylation of methyl oleate

    KAUST Repository

    Roesle, Philipp

    2012-10-24

    The weakly coordinated triflate complex [(P̂P)Pd(OTf)] +(OTf)- (1) (P̂P = 1,3-bis(di-tert- butylphosphino)propane) is a suitable reactive precursor for mechanistic studies of the isomerizing alkoxcarbonylation of methyl oleate. Addition of CH 3OH or CD3OD to 1 forms the hydride species [(P ̂P)PdH(CH3OH)]+(OTf)- (2-CH3OH) or the deuteride [(P̂P)PdD(CD 3OD)]+(OTf)- (2D-CD3OD), respectively. Further reaction with pyridine cleanly affords the stable and isolable hydride [(P̂P)PdH(pyridine)]+(OTf) - (2-pyr). This complex yields the hydride fragment free of methanol by abstraction of pyridine with BF3OEt2, and thus provides an entry to mechanistic observations including intermediates reactive toward methanol. Exposure of methyl oleate (100 equiv) to 2D-CD 3OD resulted in rapid isomerization to the thermodynamic isomer distribution, 94.3% of internal olefins, 5.5% of α,β-unsaturated ester and <0.2% of terminal olefin. Reaction of 2-pyr/BF3OEt 2 with a stoichiometric amount of 1-13C-labeled 1-octene at -80 °C yields a 50:50 mixture of the linear alkyls [(P ̂P)Pd13CH2(CH2) 6CH3]+ and [(P̂P)PdCH 2(CH2)6 13CH3] + (4a and 4b). Further reaction with 13CO yields the linear acyls [(P̂P)Pd13C(=O)12/13CH 2(CH2)6 12/13CH3(L)] + (5-L; L = solvent or 13CO). Reaction of 2-pyr/BF 3·OEt2 with a stoichiometric amount of methyl oleate at -80 °C also resulted in fast isomerization to form a linear alkyl species [(P̂P)PdCH2(CH2) 16C(=O)OCH3]+ (6) and a branched alkyl stabilized by coordination of the ester carbonyl group as a four membered chelate [(P̂P)PdCH{(CH2)15CH 3}C(=O)OCH3]+ (7). Addition of carbon monoxide (2.5 equiv) at -80 °C resulted in insertion to form the linear acyl carbonyl [(P̂P)PdC(=O)(CH2)17C(=O)OCH 3(CO)]+ (8-CO) and the five-membered chelate [(P ̂P)PdC(=O)CH{(CH2)15CH3}C(=O) OCH3]+ (9). Exposure of 8-CO and 9 to 13CO at -50 °C results in gradual incorporation of the 13C label. Reversibility of 7 + CO ⇄ 9 is also evidenced by ΔG = -2.9 kcal mol-1 and

  16. Effects of alkali or acid treatment on the isomerization of amino acids.

    Science.gov (United States)

    Ohmori, Taketo; Mutaguchi, Yuta; Doi, Katsumi; Ohshima, Toshihisa

    2012-10-01

    The effect of alkali treatment on the isomerization of amino acids was investigated. The 100×D/(D+L) values of amino acids from peptide increased with increase in the number of constituent amino acid residues. Furthermore, the N-terminal amino acid of a dipeptide was isomerized to a greater extent than the C-terminal residue. Copyright © 2012. Published by Elsevier B.V.

  17. Molecular and excited state properties of isomeric scarlet disperse dyes

    Science.gov (United States)

    Lim, Jihye; Szymczyk, Malgorzata; Mehraban, Nahid; Ding, Yi; Parrillo-Chapman, Lisa; El-Shafei, Ahmed; Freeman, Harold S.

    2018-06-01

    This work was part of an investigation aimed at characterizing the molecular and excited state properties of currently available disperse dyes developed to provide stability to extensive sunlight exposures when adsorbed on poly(ethylene terephthalate) (PET) fibers. Having completed the characterization of yellow, magenta, and cyan disperse dyes for PET-based fabrics used outdoors, our attention turned to the colors designed to enhance the color gamut of a standard 4-member (cyan/yellow/magenta/black) color set. The present study pertained specifically to the characterization of commercially available scarlet dyes. In this regard, HPLC analysis showed that a scarlet product used for PET coloration was mainly a 70/30 mixture of dyes, and the use of HRMS and single crystal X-ray diffraction analyses indicated that these two dyes were azo compounds derived from isomeric pyridine-based couplers which differed in the location of the primary amino (sbnd NH2) and anilino (sbnd NHPh) groups attached to the pyridine ring. One dye structure has the sbnd NHPh group para to the azo group (Sc2), while the other has that group in the ortho position (Sc3). The presence of either ortho substituent provides photostabilization through intramolecular H-bonding with the azo moiety. Further, results from molecular modeling studies showed that the lower excited state oxidation potential of Sc3 relative to that of Sc2 allows Sc3 to function as an energy quencher for the excited state of Sc2 - through thermodynamically favorable electron transfer.

  18. Isomeric shift compensation when using resonance detectors in Moessbauer spectroscopy

    International Nuclear Information System (INIS)

    Irkaev, S.M.; Semenkin, V.A.; Sokolov, M.M.

    1981-01-01

    Method for compensation of isomeric shift of lines observed during operation of resonance detectors being part of spectrometers of nuclear gamma resonance is suggested. A flowsheet of device permitting to realize the method described is given. The method is based on using the Doppler effect. A source of resonance radiation is moved at a constant velocity, which is choosen so as to compensate energy shift of lines of the source and convertors of the resonance detector. The absorber under investigation is put in motion with a constant acceleration. The resonance detector signals are amplified selected according to amplitude by a discriminator and come to the input of multichannel analyzer operating in the regime of subsequent scaling. Analysis of experimental spectra obtained at velocities of source movement from 0 to +3 mm/s shows that value of resonance absorption effect drops as increasing energy shift in the source-converter system. It is concluded that application of the method described will permit to considerably extend the field of application of resonance detectors in the Moessbauer spectroscopy and investigate in practice all the isotopes having converted transitions [ru

  19. A Novel Technique that Enables Efficient Conduct of Simultaneous Isomerization and Fermentation (SIF) of Xylose

    Science.gov (United States)

    Rao, Kripa; Chelikani, Silpa; Relue, Patricia; Varanasi, Sasidhar

    Of the sugars recovered from lignocellulose, D-glucose can be readily converted into ethanol by baker's or brewer's yeast (Saccharomyces cerevisiae). However, xylose that is obtained by the hydrolysis of the hemicellulosic portion is not fermentable by the same species of yeasts. Xylose fermentation by native yeasts can be achieved via isomerization of xylose to its ketose isomer, xylulose. Isomerization with exogenous xylose isomerase (XI) occurs optimally at a pH of 7-8, whereas subsequent fermentation of xylulose to ethanol occurs at a pH of 4-5. We present a novel scheme for efficient isomerization of xylose to xylulose at conditions suitable for the fermentation by using an immobilized enzyme system capable of sustaining two different pH microenvironments in a single vessel. The proof-of-concept of the two-enzyme pellet is presented, showing conversion of xylose to xylulose even when the immobilized enzyme pellets are suspended in a bulk solution whose pH is sub-optimal for XI activity. The co-immobilized enzyme pellets may prove extremely valuable in effectively conducting "simultaneous isomerization and fermentation" (SIF) of xylose. To help further shift the equilibrium in favor of xylulose formation, sodium tetraborate (borax) was added to the isomerization solution. Binding of tetrahydroxyborate ions to xylulose effectively reduces the concentration of xylulose and leads to increased xylose isomerization. The formation of tetrahydroxyborate ions and the enhancement in xylulose production resulting from the complexation was studied at two different bulk pH values. The addition of 0.05 M borax to the isomerization solution containing our co-immobilized enzyme pellets resulted in xylose to xylulose conversion as high as 86% under pH conditions that are suboptimal for XI activity. These initial findings, which can be optimized for industrial conditions, have significant potential for increasing the yield of ethanol from xylose in an SIF approach.

  20. Tin-containing zeolites are highly active catalysts for the isomerization of glucose in water.

    Science.gov (United States)

    Moliner, Manuel; Román-Leshkov, Yuriy; Davis, Mark E

    2010-04-06

    The isomerization of glucose into fructose is a large-scale reaction for the production of high-fructose corn syrup (HFCS; reaction performed by enzyme catalysts) and recently is being considered as an intermediate step in the possible route of biomass to fuels and chemicals. Here, it is shown that a large-pore zeolite that contains tin (Sn-Beta) is able to isomerize glucose to fructose in aqueous media with high activity and selectivity. Specifically, a 10% (wt/wt) glucose solution containing a catalytic amount of Sn-Beta (150 Sn:glucose molar ratio) gives product yields of approximately 46% (wt/wt) glucose, 31% (wt/wt) fructose, and 9% (wt/wt) mannose after 30 min and 12 min of reaction at 383 K and 413 K, respectively. This reactivity is achieved also when a 45 wt% glucose solution is used. The properties of the large-pore zeolite greatly influence the reaction behavior because the reaction does not proceed with a medium-pore zeolite, and the isomerization activity is considerably lower when the metal centers are incorporated in ordered mesoporous silica (MCM-41). The Sn-Beta catalyst can be used for multiple cycles, and the reaction stops when the solid is removed, clearly indicating that the catalysis is occurring heterogeneously. Most importantly, the Sn-Beta catalyst is able to perform the isomerization reaction in highly acidic, aqueous environments with equivalent activity and product distribution as in media without added acid. This enables Sn-Beta to couple isomerizations with other acid-catalyzed reactions, including hydrolysis/isomerization or isomerization/dehydration reaction sequences [starch to fructose and glucose to 5-hydroxymethylfurfural (HMF) demonstrated here].

  1. Kinetics of the Thermal Decomposition of Tetramethylsilane behind the Reflected Shock Waves in a Single Pulse Shock Tube (SPST) and Modeling Study

    Science.gov (United States)

    Parandaman, A.; Sudhakar, G.; Rajakumar, B.

    Thermal reactions of Tetramethylsilane (TMS) diluted in argon were studied behind the reflected shock waves in a single-pulse shock tube (SPST) over the temperature range of 1085-1221 K and pressures varied between 10.6 and 22.8 atm. The stable products resulting from the decomposition of TMS were identified and quantified using gas chromatography and also verified with Fourier Transform Infrared (FTIR) spectrometer. The major reaction products are methane (CH4) and ethylene (C2H4). The minor reaction products are ethane (C2H6) and propylene (C3H6). The initiation of mechanism in the decomposition of TMS takes plays via the Si-C bond scission by ejecting the methyl radicals (CH3) and trimethylsilyl radicals ((CH3)3Si). The measured temperature dependent rate coefficient for the total decomposition of TMS was to be ktotal = 1.66 ×1015 exp (-64.46/RT) s-1 and for the formation of CH4 reaction channel was to be k = 2.20 × 1014 exp (-60.15/RT) s-1, where the activation energies are given in kcal mol-1. A kinetic scheme containing 17 species and 28 elementary reactions was used for the simulation using chemical kinetic simulator over the temperature range of 1085-1221 K. The agreement between the experimental and simulated results was satisfactory.

  2. Integration of thermal digital 3D model and a MASW (Multichannel Analysis of Surface Wave) as a means of improving monitoring of spoil tip stability

    Science.gov (United States)

    Lewińska, Paulina; Matuła, Rafał; Dyczko, Artur

    2018-01-01

    Spoil tips are anthropogenic terrain structures built of leftover (coal) mining materials. They consist mostly of slate and sandstone or mudstone but also include coal and highly explosive coal dust. Coal soil tip fires cause an irreversible degradation to the environment. Government organizations notice the potential problem of spoil tip hazard and are looking for ways of fast monitoring of their temperature and inside structure. In order to test new monitoring methods an experimental was performed in the area of spoil tip of Lubelski Węgiel "Bogdanka" S.A. A survey consisted of creating a 3D discreet thermal model. This was done in order to look for potential fire areas. MASW (Multichannel analysis of surface wave) was done in order to find potential voids within the body of a tip. Existing data was digitalized and a 3D model of object's outside and inside was produced. This article provides results of this survey and informs about advantages of such an approach.

  3. Integration of thermal digital 3D model and a MASW (Multichannel Analysis of Surface Wave as a means of improving monitoring of spoil tip stability

    Directory of Open Access Journals (Sweden)

    Lewińska Paulina

    2018-01-01

    Full Text Available Spoil tips are anthropogenic terrain structures built of leftover (coal mining materials. They consist mostly of slate and sandstone or mudstone but also include coal and highly explosive coal dust. Coal soil tip fires cause an irreversible degradation to the environment. Government organizations notice the potential problem of spoil tip hazard and are looking for ways of fast monitoring of their temperature and inside structure. In order to test new monitoring methods an experimental was performed in the area of spoil tip of Lubelski Węgiel „Bogdanka” S.A. A survey consisted of creating a 3D discreet thermal model. This was done in order to look for potential fire areas. MASW (Multichannel analysis of surface wave was done in order to find potential voids within the body of a tip. Existing data was digitalized and a 3D model of object’s outside and inside was produced. This article provides results of this survey and informs about advantages of such an approach.

  4. The development of isomerization catalysts for production of high-octane products

    Energy Technology Data Exchange (ETDEWEB)

    Pedrosa, A.M. Garrido; Melo, D.M.A.; Araujo, A.S. [Universidade Federal do Rio Grande do Norte, Natal, RN (Brazil). Dept. de Quimica; Souza, M.J.B.; Silva, A.O.S. [Universidade Federal do Rio Grande do Norte, Natal, RN (Brazil). Dept. de Engenharia Quimica

    2004-07-01

    In current petroleum industry, paraffins larger than C5 are used for catalytic reform. The catalytic reform is one of the most important processes for petroleum refine in reason of all reactions they drive to production of high-octane products. Reformate has high-octane products, but they contain 60% aromatics. Isomerization of C5- C7 can improve the octane number. The octane number of n-heptane is zero and increases after isomerization. For tri branched C7, the octane number reaches 113, which is higher than that of benzene. So, isomerization of C5-C7 is suggested to be a reasonable way to replace or partly replace the catalytic reforming process. It can decrease aromatics content with enhancement of octane number. Liquid acid catalysts were widely used in chemical industry in past decades. However, they face strong environmental challenges. The heavy corrosion of the reactor system is one of the main problems. Thus, solid acid catalysts are investigated for the isomerization reactions. The aim of this work is to develop a catalysts for the production of reformate products. Isomerization is catalyzed by metal-acid bifunctional catalysts. The metal components aid in hydrogenation, while the support, such as, zirconium, clays or zeolites, is the acidic component. (author)

  5. Dehydrogenation and concurrent isomerization of n-butenes on mixed tin and antimony oxide catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Irvine, E.A.; Taylor, D.

    1978-01-01

    The dehydrogenation and concurrent isomerization of n-butenes on mixed tin and antimony oxide catalysts which had been outgassed at 698/sup 0/K were carried out in the presence of oxygen at 474/sup 0/K, and the initial approximately zero-order rates of 1,3-butadiene formation and rates of isomerization were used as a measure of catalytic activity to construct activity patterns as a function of catalyst composition. A comparison of the patterns with those for the isomerization of 3,3-dimethyl-1-butene and for the selective oxidation of propane on the same catalysts indicated that the dehydrogenation of 1-butene involves a m-allyl intermediate, but isomerization occurs through carbonium ion formation. For the cis- and trans-isomers, both reactions apparently occurred via a common allyl (but not m-allyl) intermediate. Dehydrogenation to butadiene decreased in the order 1-butene > cis-2-butene trans-2-butene and was maximum at 10% antimony for 1-butene and 21% antimony for 2-butene. Isomerization was always slower than dehydrogenation and showed two maEima, at 21 (or 27%) and at 75% antimony.

  6. Cryo-EM structure of isomeric molluscan hemocyanin triggered by viral infection.

    Directory of Open Access Journals (Sweden)

    Hongtao Zhu

    Full Text Available Hemocyanins (Hcs of arthropods and mollusks function not only as oxygen transporters, but also as phenoloxidases (POs. In invertebrates, PO is an important component in the innate immune cascade, where it functions as the initiator of melanin synthesis, a pigment involved in encapsulating and killing of pathogenic microbes. Although structures of Hc from several species of invertebrates have been reported, the structural basis for how PO activity is triggered by structural changes of Hc in vivo remains poorly understood. Here, we report a 6.8 Å cryo-electron microscopy (cryo-EM structure of the isomeric form of hemocyanin, which was isolated from Abalone Shriveling syndrome-associated Virus (AbSV infected abalone (Halitotis diversicolor, and build a pseudoatomic model of isomeric H. diversicolor hemocyanin 1 (HdH1. Our results show that, compared with native form of HdH1, the architecture of isomeric HdH1 turns into a more relaxed form. The interactions between certain functional units (FUs present in the native form of Hc either decreased or were totally abolished in the isomeric form of Hc. As a result of that, native state Hc switches to its isomeric form, enabling it to play its role in innate immune responses against invading pathogens.

  7. Cis-to- Trans Isomerization of Azobenzene Derivatives Studied with Transition Path Sampling and Quantum Mechanical/Molecular Mechanical Molecular Dynamics.

    Science.gov (United States)

    Muždalo, Anja; Saalfrank, Peter; Vreede, Jocelyne; Santer, Mark

    2018-04-10

    Azobenzene-based molecular photoswitches are becoming increasingly important for the development of photoresponsive, functional soft-matter material systems. Upon illumination with light, fast interconversion between a more stable trans and a metastable cis configuration can be established resulting in pronounced changes in conformation, dipole moment or hydrophobicity. A rational design of functional photosensitive molecules with embedded azo moieties requires a thorough understanding of isomerization mechanisms and rates, especially the thermally activated relaxation. For small azo derivatives considered in the gas phase or simple solvents, Eyring's classical transition state theory (TST) approach yields useful predictions for trends in activation energies or corresponding half-life times of the cis isomer. However, TST or improved theories cannot easily be applied when the azo moiety is part of a larger molecular complex or embedded into a heterogeneous environment, where a multitude of possible reaction pathways may exist. In these cases, only the sampling of an ensemble of dynamic reactive trajectories (transition path sampling, TPS) with explicit models of the environment may reveal the nature of the processes involved. In the present work we show how a TPS approach can conveniently be implemented for the phenomenon of relaxation-isomerization of azobenzenes starting with the simple examples of pure azobenzene and a push-pull derivative immersed in a polar (DMSO) and apolar (toluene) solvent. The latter are represented explicitly at a molecular mechanical (MM) and the azo moiety at a quantum mechanical (QM) level. We demonstrate for the push-pull azobenzene that path sampling in combination with the chosen QM/MM scheme produces the expected change in isomerization pathway from inversion to rotation in going from a low to a high permittivity (explicit) solvent model. We discuss the potential of the simulation procedure presented for comparative calculation of

  8. High spin states and isomeric decays in doubly-odd 208Fr

    International Nuclear Information System (INIS)

    Kanjilal, D.; Bhattacharya, S.; Goswami, A.; Kshetri, R.; Raut, R.; Saha, S.; Bhowmik, R.K.; Gehlot, J.; Muralithar, S.; Singh, R.P.; Jnaneswari, G.; Mukherjee, G.; Mukherjee, B.

    2010-01-01

    Neutron deficient isotopes of francium (Z=87, N∼121-123) as excited nuclei were produced in the fusion-evaporation reaction: 197 Au( 16 O, xn) 213-x Fr at 100 MeV. The γ rays from the residues were observed through the high sensitivity Germanium Clover detector array INGA. The decay of the high spin states and the isomeric states of the doubly-odd 208 Fr nuclei, identified from the known sequence of ground state transitions, were observed. The half-lives of the E γ =194(2) keV isomeric transition, known from earlier observations, was measured to be T 1/2 =233(18) ns. A second isomeric transition at E γ =383(2) keV and T 1/2 =33(7) ns was also found. The measured half-lives were compared with the corresponding single particle estimates, based on the level scheme obtained from the experiment.

  9. Special features of isomeric ratios in nuclear reactions induced by various projectile particles

    Energy Technology Data Exchange (ETDEWEB)

    Danagulyan, A. S.; Hovhannisyan, G. H., E-mail: hov-gohar@ysu.am; Bakhshiyan, T. M.; Martirosyan, G. V. [Yerevan State University (Armenia)

    2016-05-15

    Calculations for (p, n) and (α, p3n) reactions were performed with the aid of the TALYS-1.4 code. Reactions in which the mass numbers of target and product nuclei were identical were examined in the range of A = 44–124. Excitation functions were obtained for product nuclei in ground and isomeric states, and isomeric ratios were calculated. The calculated data reflect well the dependence of the isomeric ratios on the projectile type. A comparison of the calculated and experimental data reveals, that, for some nuclei in a high-spin state, the calculated data fall greatly short of their experimental counterparts. These discrepancies may be due to the presence of high-spin yrast states and rotational bands in these nuclei. Calculations involving various level-density models included in the TALYS-1.4 code with allowance for the enhancement of collective effects do not remove the discrepancies in the majority of cases.

  10. Possible evidence for shape isomeric γ-decay in μ- atoms of 238U

    International Nuclear Information System (INIS)

    Fromm, W.D.; Ortlepp, H.-G.; Polikanov, S.M.; Schmidt, U.; Zorin, G.N.; Arlt, R.; Musiol, G.

    1977-01-01

    A search for the γ-decay of the shape isomer in muonic 238 U excited by radiationless transitions has been performed. Seven delayed transitions in the energy region of 700 to 3200 keV have been observed with a large Ge(Li) detector. Two transitions with Esub(γ)=2215 and 3131 keV have been attributed to the decay of the shape isomeric state into levels in the first well. The isomeric shift of the second minimum Esub(II) approximately 600 keV in the presence of the muon and the decrease of the lifetime of the shape isomer to tau=12+-2 ns give arguments in favour of the connection of shape isomerism with large quadrupole deformations. (Auth.)

  11. High-spin μs isomeric states in 96 Ag

    International Nuclear Information System (INIS)

    Becerril, A. D.; Lorusso, G.; Amthor, A. M.; Brown, B. A.; Estrade, A.; Guess, C. J.; Hitt, G. W.; Meharchand, R.; Schatz, H.; Smith, K.; Zegers, R. G. T.; Baumann, T.; Bazin, D.; Ginter, T.; Hausmann, M.; Minamisono, K.; Portillo, M.; Stolz, A.; Berryman, J. S.; Crawford, H. L.

    2011-01-01

    The isomeric and β decays of the N=Z+2 nucleus 96 Ag were investigated at the National Superconducting Cyclotron Laboratory. A cascade of γ-ray transitions originating from the deexcitation of a microsecond isomer was observed for the first time and was found in coincidence with two previously known transitions with energies of 470 and 667 keV. The isomeric half-life was determined as 1.45(7) μs, more precise than previously reported. The existence of a second, longer-lived microsecond isomer, associated with a 743-keV γ transition, is also proposed here. Shell model results within the (p 3/2 p 1/2 f 5/2 g 9/2 ) model space, using the jj44b interaction, reproduced level energies and isomeric decay half-lives reasonably well.

  12. Synthesis, structure and isomerism of three-bridge exo-nido-osmacarborane clusters

    International Nuclear Information System (INIS)

    Kolomnikova, G.D.; Petrovskij, P.V.; Sorokin, P.V.; Dolgushin, F.M.; Yanovskij, A.I.; Chizhevskij, I.T.

    2001-01-01

    The structure and isomerism of exo-nido-osmacarboranes prepared by reaction between coordination-unsaturated complex OsCl 2 (PPh 3 ) 3 (Ph-phenyl) in benzene at 20 deg C and K + -salts of nido-dicarbaundecarborate anions were studied by the methods of 1 H and 11 B NMR (including usual and two-dimensional spectra) and X-ray diffraction analysis. It was ascertained that in the compounds prepared osmium-containing group is bound with nido-carborane ligand via three-center bonds, open pentagonal plane of carborane ligand being retained in the isomers. In it nature isomerism in the compounds mentioned is geometrical cis-trans-isomerism [ru

  13. Capillary waves in slow motion

    International Nuclear Information System (INIS)

    Seydel, Tilo; Tolan, Metin; Press, Werner; Madsen, Anders; Gruebel, Gerhard

    2001-01-01

    Capillary wave dynamics on glycerol surfaces has been investigated by means of x-ray photon correlation spectroscopy performed at grazing angles. The measurements show that thermally activated capillary wave motion is slowed down exponentially when the sample is cooled below 273 K. This finding directly reflects the freezing of the surface waves. The wave-number dependence of the measured time constants is in quantitative agreement with theoretical predictions for overdamped capillary waves

  14. Glucose isomerization in simulated moving bed reactor by Glucose isomerase

    Directory of Open Access Journals (Sweden)

    Eduardo Alberto Borges da Silva

    2006-05-01

    Full Text Available Studies were carried out on the production of high-fructose syrup by Simulated Moving Bed (SMB technology. A mathematical model and numerical methodology were used to predict the behavior and performance of the simulated moving bed reactors and to verify some important aspects for application of this technology in the isomerization process. The developed algorithm used the strategy that considered equivalences between simulated moving bed reactors and true moving bed reactors. The kinetic parameters of the enzymatic reaction were obtained experimentally using discontinuous reactors by the Lineweaver-Burk technique. Mass transfer effects in the reaction conversion using the immobilized enzyme glucose isomerase were investigated. In the SMB reactive system, the operational variable flow rate of feed stream was evaluated to determine its influence on system performance. Results showed that there were some flow rate values at which greater purities could be obtained.Neste trabalho a tecnologia de Leito Móvel Simulado (LMS reativo é aplicada no processo de isomerização da glicose visando à produção de xarope concentrado de frutose. É apresentada a modelagem matemática e uma metodologia numérica para predizer o comportamento e o desempenho de unidades reativas de leito móvel simulado para verificar alguns aspectos importantes para o emprego desta tecnologia no processo de isomerização. O algoritmo desenvolvido utiliza a abordagem que considera as equivalências entre as unidades reativas de leito móvel simulado e leito móvel verdadeiro. Parâmetros cinéticos da reação enzimática são obtidos experimentalmente usando reatores em batelada pela técnica Lineweaver-Burk. Efeitos da transferência de massa na conversão de reação usando a enzima imobilizada glicose isomerase são verificados. No sistema reativo de LMS, a variável operacional vazão da corrente de alimentação é avaliada para conhecer o efeito de sua influência no

  15. Impacts of daily intakes on the isomeric profiles of perfluoroalkyl substances (PFASs) in human serum.

    Science.gov (United States)

    Shan, Guoqiang; Wang, Zhi; Zhou, Lianqiu; Du, Pin; Luo, Xiaoxiao; Wu, Qiannian; Zhu, Lingyan

    2016-01-01

    Perfluoroalkyl substances (PFASs) have been well studied in human daily intake for assessment of potential health risks. However, little is known about the isomeric compositions of PFASs in daily intake and their impacts on isomeric profiles in humans. In this study, we investigated the occurrence of PFASs with isomeric analysis in various human exposure matrices including foodstuffs, tap water and indoor dust. Perfluorooctanesulfonate (PFOS) and/or perfluorooctanoate (PFOA) were predominant in these exposure matrices collected in Tianjin, China. In fish and meat, linear (n-) PFOA was enriched with a percentage of 92.2% and 99.6%, respectively. Although n-PFOS was higher in fish (84.8%) than in technical PFOS (ca. 70%), it was much lower in meat (63.1%) and vegetables (58.5%). Dietary intake contributed >99% of the estimated daily intake (EDI) for the general population. The isomeric profiles of PFOA and PFOS in human serum were predicted based on the EDI and a one-compartment, first-order pharmacokinetic model. The isomeric percentage of n-PFOA in the EDI (98.6%) was similar to that in human serum (predicted: 98.2%, previously measured: 99.7%) of Tianjin residents. The results suggest direct PFOA intake plays an important role in its isomeric compositions in humans. For PFOS, the predicted n-PFOS (69.3%) was much higher than the previously measured values (59.2%) in human serum. This implies that other factors, such as indirect exposure to PFOS precursors and multiple excretion pathways, may contribute to the lower percentage of n-PFOS in humans than of technical PFOS. Copyright © 2016 Elsevier Ltd. All rights reserved.

  16. NaSO2Ph Induced Exclusive Isomerization of 1,2-Allenyl Sulfoxides to 2-Alkynylic Phenyl Sulfoxides

    Institute of Scientific and Technical Information of China (English)

    傅春玲; 麻生明

    2005-01-01

    The clean isomerization of 1,2-allenyl sulfoxides in the presence of NaSO2Ph afforded 2-alkynylic phenyl sulfoxides in good yields and selectivities. Although strong base-catalyzed isomerization of allenes to alkynes is known, the mechanism for the current reaction is interesting for the obvious reason that NaSOEPh is a weak base.

  17. Consequences of acid strength for isomerization and elimination catalysis on solid acids.

    Science.gov (United States)

    Macht, Josef; Carr, Robert T; Iglesia, Enrique

    2009-05-13

    We address here the manner in which acid catalysis senses the strength of solid acids. Acid strengths for Keggin polyoxometalate (POM) clusters and zeolites, chosen because of their accurately known structures, are described rigorously by their deprotonation energies (DPE). Mechanistic interpretations of the measured dynamics of alkane isomerization and alkanol dehydration are used to obtain rate and equilibrium constants and energies for intermediates and transition states and to relate them to acid strength. n-Hexane isomerization rates were limited by isomerization of alkoxide intermediates on bifunctional metal-acid mixtures designed to maintain alkane-alkene equilibrium. Isomerization rate constants were normalized by the number of accessible protons, measured by titration with 2,6-di-tert-butylpyridine during catalysis. Equilibrium constants for alkoxides formed by protonation of n-hexene increased slightly with deprotonation energies (DPE), while isomerization rate constants decreased and activation barriers increased with increasing DPE, as also shown for alkanol dehydration reactions. These trends are consistent with thermochemical analyses of the transition states involved in isomerization and elimination steps. For all reactions, barriers increased by less than the concomitant increase in DPE upon changes in composition, because electrostatic stabilization of ion-pairs at the relevant transition states becomes more effective for weaker acids, as a result of their higher charge density at the anionic conjugate base. Alkoxide isomerization barriers were more sensitive to DPE than for elimination from H-bonded alkanols, the step that limits 2-butanol and 1-butanol dehydration rates; the latter two reactions showed similar DPE sensitivities, despite significant differences in their rates and activation barriers, indicating that slower reactions are not necessarily more sensitive to acid strength, but instead reflect the involvement of more unstable organic

  18. Excitation of isomeric states 1h11/2 in (γ, n) reactions

    International Nuclear Information System (INIS)

    Tonchev, A.P.; Gangrskij, Yu.P.; Belov, A.G.

    1995-01-01

    The cross sections of (γ, n) reactions were measured for ground and isomeric states 1h 11/2 in 16 isotopes of Pd, Cd, Sn, Te, Ba, Ce, Nd and Sm. The energy of γ-rays was placed in the region of Giant Dipole Resonance. An activation method of measurements has been used. IR dependence of neutron and proton number in nucleus was detected and of excitation energy of residual nucleus as well. Different factors influencing the values of the isomeric ratios are discussed. 20 refs., 5 figs., 2 tabs

  19. Isomeric ratio measurements for the radiative neutron capture 176Lu(n,γ at DANCE

    Directory of Open Access Journals (Sweden)

    Denis-Petit D.

    2017-01-01

    Full Text Available The isomeric ratios for the neutron capture reaction 176Lu(n,γ to the Jπ = 5/2−, 761.7 keV, T1/2 = 32.8 ns and the Jπ = 15/2+, 1356.9 keV, T1/2 = 11.1 ns levels of 177Lu, have been measured for the first time with the Detector for Advanced Neutron Capture Experiments (DANCE at the Los Alamos National Laboratory. These measured isomeric ratios are compared with TALYS calculations.

  20. Tin-containing zeolites are highly active catalysts for the isomerization of glucose in water

    OpenAIRE

    Moliner, Manuel; Román-Leshkov, Yuriy; Davis, Mark E.

    2010-01-01

    The isomerization of glucose into fructose is a large-scale reaction for the production of high-fructose corn syrup (HFCS; reaction performed by enzyme catalysts) and recently is being considered as an intermediate step in the possible route of biomass to fuels and chemicals. Here, it is shown that a large-pore zeolite that contains tin (Sn-Beta) is able to isomerize glucose to fructose in aqueous media with high activity and selectivity. Specifically, a 10% (wt/wt) glucose solution containin...

  1. Kinetic and mass transfer studies on the isomerization of cellulose hydrolyzate using immobilized Streptomyces cells

    Energy Technology Data Exchange (ETDEWEB)

    Ghose, T K; Chand, S

    1978-01-01

    Streptomyces cells possessing glucose isomerase activity, heat-treated and confined within polyester sacs have been used in batch/continuous isomerization of enzymatically hydrolyzed microcrystalline cellulose. Conversion data at different concentrations of substrate closely follow the reactor performance equation based on the reaction kinetics. The effect of external film and pore diffusional resistances were experimentally found to be negligible. The dispersion effects in the packed bed column have been evaluated by pulse input tracer analysis. Continuous operation of the column to isomerize cellulose hydrolyzate (2.0 M glucose) showed an exponential deactivation of enzyme activity with a half-life of 447 h.

  2. Efficient Isomerization of Glucose to Fructose over Zeolites in Consecutive Reactions in Alcohol and Aqueous Media

    DEFF Research Database (Denmark)

    Shunmugavel, Saravanamurugan; Paniagua, Marta; Melero, Juan A

    2013-01-01

    glucose isomerization to fructose and subsequent reaction with methanol to form methyl fructoside (step 1), followed by hydrolysis to re-form fructose after water addition (step 2). NMR analysis with (13)C-labeled sugars confirmed this reaction pathway. Conversion of glucose for 1 h at 120 °C with H......-USY (Si/Al = 6) gave a remarkable 55% yield of fructose after the second reaction step. A main advantage of applying alcohol media and a catalyst that combines Brønsted and Lewis acid sites is that glucose is isomerized to fructose at low temperatures, while direct conversion to industrially important...

  3. High-pressure liquid chromatographic determination of chlorphenesin carbamate and the beta-isomeric carbamate.

    Science.gov (United States)

    Beyer, W F

    1976-12-01

    A high-pressure liquid chromatographic assay was developed for the determination of chlorphenesin carbamate and its beta-isomeric carbamate. A single 4-mm i.d. X 30-cm column, prepacked with 10 micrometer fully porous silica gel particles, is used with 3% methanol in 50% water-saturated butyl chloride as the mobile phase. The procedure separates chlorphenesin carbamate from several possible impurities in addition to the beta-isomeric carbamate. The assay was applied to bulk drug and compressed tablets. The relative standard deviations for the assays of chlorphenesin carbamate and the beta-isomer are approximately 1 and 2%, respectively.

  4. Preparing isomerically pure beams of short-lived nuclei at JYFLTRAP

    Energy Technology Data Exchange (ETDEWEB)

    Eronen, T. [Department of Physics, University of Jyvaeskylae, P.O. Box 35 (YFL), FIN-40014 (Finland)], E-mail: tommi.eronen@jyu.fi; Elomaa, V.-V.; Hager, U.; Hakala, J.; Jokinen, A.; Kankainen, A.; Rahaman, S.; Rissanen, J.; Weber, C.; Aystoe, J. [Department of Physics, University of Jyvaeskylae, P.O. Box 35 (YFL), FIN-40014 (Finland)

    2008-10-15

    A new procedure to prepare isomerically clean samples of short-lived ions with a mass resolving power of more than 1 x 10{sup 5} has been developed at the JYFLTRAP tandem Penning trap system. The method utilises a dipolar rf-excitation of the ion motion with separated oscillatory fields in the precision trap. During a subsequent retransfer to the purification trap, the contaminants are rejected and as a consequence, the remaining bunch is isomerically cleaned. This newly-developed method is suitable for very high-resolution cleaning and is at least a factor of five faster than the methods used so far in Penning trap mass spectrometry.

  5. Unusually large secondary deuterium isotope effect. Thermal trans-cis isomerization of trans-1-phenylcyclohexene

    International Nuclear Information System (INIS)

    Caldwell, R.A.; Misawa, H.; Healy, E.F.; Dewar, M.J.S.

    1987-01-01

    The magnitudes of secondary deuterium isotope effects (SDIE) are generally in the range of 0.9 < k/sub H//k/sub D/ < 1.25, and are often satisfactorily rationalized by the zero-point energy (ZPE) change on going from reactant to transition state due to C-H rehybridization. They now report a far larger SDIE for the title reaction. Its rationalization on the basis of transition state theory suggests that it more closely resembles a primary isotope effect

  6. Determination of the active site and mechanism for alkene isomerization in Cu(II) exchnaged Y-type zeolite

    Energy Technology Data Exchange (ETDEWEB)

    John, C S; Leach, H F

    1977-01-01

    An ESR study of 1-butene isomerization at 315/sup 0/-375/sup 0/C, 3,3-dimethyl-1-butene isomerization to 2,3-dimethyl-1- and -2-butene at 293/sup 0/K, and deuterium redistribution in 3,3-dideuteriopropene at 363/sup 0/-396/sup 0/K showed the presence of two copper(II) species in different environments, which reacted with the olefins at different rates. Although activation energies for the three reactions differed and only dideuteriopropene showed an induction period, a similar mechanism is proposed in all cases, involving preliminary reduction of copper(II), with the rates of reduction and isomerization differing from olefin to olefin. Apparently, the active site for the isomerization is a Broensted acid generated by the reduction, and the isomerization follows an associative (proton addition-elimination) mechanism with a carbonium ion intermediate. Spectra, graphs, diagram, and 12 references.

  7. Thermal neutron capture cross sections of tellurium isotopes

    International Nuclear Information System (INIS)

    Tomandl, I.; Honzatko, J.; Egidy, T. von; Wirth, H.-F.; Belgya, T.; Lakatos, M.; Szentmiklosi, L.; Revay, Zs.; Molnar, G.L.; Firestone, R.B.; Bondarenko, V.

    2003-01-01

    New values for thermal neutron capture cross sections of the tellurium isotopes 122 Te, 124 Te, 125 Te, 126 Te, 128 Te, and 130 Te are reported. These values are based on a combination of newly determined partial γ-ray cross sections obtained from experiments on targets contained natural Te and γ intensities per capture of individual Te isotopes. Isomeric ratios for the thermal neutron capture on the even tellurium isotopes are also given

  8. Thermal neutron capture cross sections of tellurium isotopes

    International Nuclear Information System (INIS)

    Tomandl, I.; Honzatko, J.; Egidy, T. von; Wirth, H.-F.; Belgya, T.; Lakatos, M.; Szentmiklosi, L.; Revay, Zs.; Molnar, G.L.; Firestone, R.B.; Bondarenko, V.

    2004-01-01

    New values for thermal neutron capture cross sections of the tellurium isotopes 122Te, 124Te, 125Te, 126Te, 128Te, and 130Te are reported. These values are based on a combination of newly determined partial g-ray cross sections obtained from experiments on targets contained natural Te and gamma intensities per capture of individual Te isotopes. Isomeric ratios for the thermal neutron capture on the even tellurium isotopes are also given

  9. Thermal neutron capture cross sections of tellurium isotopes

    Energy Technology Data Exchange (ETDEWEB)

    Tomandl, I.; Honzatko, J.; von Egidy, T.; Wirth, H.-F.; Belgya, T.; Lakatos, M.; Szentmiklosi, L.; Revay, Zs.; Molnar, G.L.; Firestone, R.B.; Bondarenko, V.

    2004-03-01

    New values for thermal neutron capture cross sections of the tellurium isotopes 122Te, 124Te, 125Te, 126Te, 128Te, and 130Te are reported. These values are based on a combination of newly determined partial g-ray cross sections obtained from experiments on targets contained natural Te and gamma intensities per capture of individual Te isotopes. Isomeric ratios for the thermal neutron capture on the even tellurium isotopes are also given.

  10. Anticonvulsant effects of isomeric nonimidazole histamine H3 receptor antagonists

    Directory of Open Access Journals (Sweden)

    Sadek B

    2016-11-01

    , in which 3-piperidinopropan-1-ol in ligand 2 was replaced by (4-(3-(piperidin-1-ylpropoxyphenylmethanol, and its (S-enantiomer (4 significantly and in a dose-dependent manner reduced convulsions or exhibited full protection in MES and PTZ convulsions model, respectively. Interestingly, the protective effects observed for the (R-enantiomer (3 in MES model were significantly greater than those of the standard H3R inverse agonist/antagonist pitolisant, comparable with those observed for PHT, and reversed when rats were pretreated with the selective H3R agonist R-(α-methyl-histamine. Comparisons of the observed antagonistic in vitro affinities among the ligands 1–6 revealed profound stereoselectivity at human H3Rs with varying preferences for this receptor subtype. Moreover, the in vivo anticonvulsant effects observed in this study for ligands 1–6 showed stereoselectivity in different convulsion models in male adult rats. Keywords: histamine, H3 receptor, isomeric antagonists, anticonvulsant activity, stereo­selectivity

  11. Elucidation of structural isomers from the homogeneous rhodium-catalyzed isomerization of vegetable oils.

    Science.gov (United States)

    Andjelkovic, Dejan D; Min, Byungrok; Ahn, Dong; Larock, Richard C

    2006-12-13

    The structural isomers formed by the homogeneous rhodium-catalyzed isomerization of several vegetable oils have been elucidated. A detailed study of the isomerization of the model compound methyl linoleate has been performed to correlate the distribution of conjugated isomers, the reaction kinetics, and the mechanism of the reaction. It has been shown that [RhCl(C8H8)2]2 is a highly efficient and selective isomerization catalyst for the production of highly conjugated vegetable oils with a high conjugated linoleic acid (CLA) content, which is highly desirable in the food industry. The combined fraction of the two major CLA isomers [(9Z,11E)-CLA and (10E,12Z)-CLA] in the overall CLA mixture is in the range from 76.2% to 93.4%. The high efficiency and selectivity of this isomerization method along with the straightforward purification process render this approach highly promising for the preparation of conjugated oils and CLA. Proposed improvements in catalyst recovery and reusability will only make this method more appealing to the food, paint, coating, and polymer industries in the future.

  12. Changes in Atmospheric Butanes and Pentanes and Their Isomeric Ratios in the Continental United States

    Science.gov (United States)

    Rossabi, Sam; Helmig, Detlev

    2018-04-01

    Nonmethane hydrocarbons have been used as tracers in research on emissions and atmospheric oxidation chemistry. This research investigates source region mixing ratio trends of the nonmethane hydrocarbons i-butane, n-butane, i-pentane, and n-pentane, and the (i/n) isomeric ratios of these compounds between 2001 and 2015. Data collected at Photochemical Assessment Monitoring Stations, mandated by the U.S. Environmental Protection Agency in ozone nonattainment areas, and data collected at Global Greenhouse Gas Reference Network sites within the National Oceanic and Atmospheric Administration network, and analyzed at the Institute of Arctic and Alpine Research at the University of Colorado-Boulder, were examined. Among all considered species, linear regression analyses on concentration time series had negative slopes at 81% of sites, indicating predominantly declining butane and pentane atmospheric concentrations. Mostly negative slopes (78% of sites) were found for the (i/n) butane and pentane isomeric ratios, including all six and seven statistically significant (i/n) butane and pentane trends, respectively. Over the 15 year investigation period and averaged over all sites, total relative changes were 30 and 45% for the (i/n) ratios of butanes and pentanes, respectively, with a relative increase in the prominence of the n-isomers. Most likely causes include changing isomeric ratios in gasoline sector emissions, and increasing influence of oil and natural gas industry emissions. Changes in concentrations and isomeric ratios depend on proximity of contributing emission sources to measurement sites.

  13. Left atrial isomerism associated with asplenia: prenatal echocardiographic detection of complex congenital cardiac malformations

    NARCIS (Netherlands)

    Stewart, P. A.; Becker, A. E.; Wladimiroff, J. W.; Essed, C. E.

    1984-01-01

    Complex congenital heart disease with suspected isomerism of the atria was diagnosed in two fetuses of 20 and 29 weeks' gestation using two-dimensional and M-mode scanning techniques. The first pregnancy was terminated at 21 weeks' gestation and stillbirth occurred at 31 weeks' gestation in the

  14. Resolution of isomeric new designer stimulants using gas chromatography - Vacuum ultraviolet spectroscopy and theoretical computations

    Czech Academy of Sciences Publication Activity Database

    Škultéty, L'udovít; Fryčák, P.; Qiu, CL.; Smuts, J.; Shear-Laude, L.; Lemr, Karel; Mao, J.X.; Kroll, P.; Schug, K. A.; Szewczak, A.; Vaught, C.; Lurie, I.; Havlíček, Vladimír

    2017-01-01

    Roč. 971, JUNE 8 (2017), s. 55-67 ISSN 0003-2670 R&D Projects: GA MŠk(CZ) LO1509 Institutional support: RVO:61388971 Keywords : Gas phase absorption * Time-dependent density functional theory * Isomeric drugs Subject RIV: CB - Analytical Chemistry, Separation OBOR OECD: Analytical chemistry Impact factor: 4.950, year: 2016

  15. Ligand induced structural isomerism in phosphine coordinated gold clusters revealed by ion mobility mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Ligare, Marshall R.; Baker, Erin M.; Laskin, Julia; Johnson, Grant E.

    2017-01-01

    Structural isomerism in ligated gold clusters is revealed using electrospray ionization ion mobility spectrometry mass spectrometry. Phosphine ligated Au8 clusters are shown to adopt more “extended” type structures with increasing exchange of methyldiphenylphosphine (MePPh2) for triphenylphosphine (PPh3). These ligand-dependant structure-property relationships are critical to applications of clusters in catalysis.

  16. Phase space conduits for reaction in multidimensional systems : HCN isomerization in three dimensions

    NARCIS (Netherlands)

    Waalkens, Holger; Burbanks, Andrew; Wiggins, Stephen

    2004-01-01

    The three-dimensional hydrogen cyanide/isocyanide isomerization problem is taken as an example to present a general theory for computing the phase space structures which govern classical reaction dynamics in systems with an arbitrary (finite) number of degrees of freedom. The theory, which is

  17. The Isomerization of (-)-Menthone to (+)-Isomenthone Catalyzed by an Ion-Exchange Resin

    Science.gov (United States)

    Ginzburg, Aurora L.; Baca, Nicholas A.; Hampton, Philip D.

    2014-01-01

    A traditional organic chemistry laboratory experiment involves the acid-catalyzed isomerization of (-)-menthone to (+)-isomenthone. This experiment generates large quantities of organic and aqueous waste, and only allows the final ratio of isomers to be determined. A "green" modification has been developed that replaces the mineral acid…

  18. The isomerization of allylrhodium intermediates in the rhodium-catalyzed nucleophilic allylation of cyclic imines.

    Science.gov (United States)

    Hepburn, Hamish B; Lam, Hon Wai

    2014-10-20

    Allylrhodium species generated from potassium allyltrifluoroborates can undergo isomerization by 1,4-rhodium(I) migration to give more complex isomers, which then react with cyclic imines to provide products with up to three new stereochemical elements. High enantioselectivities are obtained using chiral diene-rhodium complexes. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Promotion or suppression of glucose isomerization in subcritical aqueous straight- and branched-chain alcohols.

    Science.gov (United States)

    Gao, Da-Ming; Kobayashi, Takashi; Adachi, Shuji

    2015-01-01

    The influence of water-miscible alcohols (methanol, 1-propanol, 2-propanol, and t-butyl alcohol) on the isomerization of glucose to fructose and mannose was investigated under subcritical aqueous conditions (180-200 °C). Primary and secondary alcohols promoted the conversion and isomerization of glucose to afford fructose and mannose with high and low selectivity, respectively. On the other hand, the decomposition (side-reaction) of glucose was suppressed in the presence of the primary and secondary alcohols compared with that in subcritical water. The yield of fructose increased with increasing concentration of the primary and secondary alcohols, and the species of the primary and secondary alcohols tested had little effect on the isomerization behavior of glucose. In contrast, the isomerization of glucose was suppressed in subcritical aqueous t-butyl alcohol. Both the conversion of glucose and the yield of fructose decreased with increasing concentration of t-butyl alcohol. In addition, mannose was not detected in reactions using subcritical aqueous t-butyl alcohol.

  20. Linkage isomerism in trimeric and polymeric 2,3-cis-procyanindins

    Science.gov (United States)

    Richard W. Hemingway; Lai Yeap Foo; Lawrence J. Porter

    1982-01-01

    Procyanindins polymers consist of chains of 5,7,3',4'-tetrahydroxyflavan-3-ol units linked by C(4)-C(6) or C(4)-C(8) bonds.1 Whereas the procyanidin-B group of dimers are known to exist as pairs of isomers with common flavan-3-ol units, but different interflavanoid linkages,2,3 the extent of such isomerism in...

  1. Polymeric proanthocyanidins: Interflavanoid linkage isomerism in (epicatechin-4)-(epicatechin-4)-catechin procyanidins

    Science.gov (United States)

    Richard W. Hemingway; L. Yeap Foo; L. J. Porter

    1981-01-01

    Procyanidin trimers have been isolated from a variety of plants,1-3 but their structures remain unresolved. We have now isolated three configurational isomers of (epicatechin-4)-(epicatechin-4)-catechin from Pinus taeda L. (loblolly pine) phloem which exhibit isomerism of the interflavanoid linkages.

  2. Palladium Hydride Promoted Stereoselective Isomerization of Unactivated Di(exo)methylenes to Endocyclic Dienes

    OpenAIRE

    Jung, Michael E.; Lee, Gloria S.; Pham, Hung V.; Houk, K. N.

    2014-01-01

    The exomethylenes of 2,6-disubstituted bicyclo[3.3.1]nonan-9-ones 2 are readily isomerized over a palladium catalyst under an atmosphere of hydrogen to predominantly form the isomer 3 with C 2 symmetry with very little formation of the analogous product with C s symmetry. A hydrogen source is essential to effect the rearrangement.

  3. Isomeric Diruthenium Complexes Bridged by Deprotonated Indigo in cis and trans Configuration

    Czech Academy of Sciences Publication Activity Database

    Chatterjee, M.; Ghosh, P.; Beyer, K.; Paretzki, A.; Fiedler, Jan; Kaim, W.; Lahiri, G. K.

    2018-01-01

    Roč. 13, č. 1 (2018), s. 118-125 ISSN 1861-4728 Institutional support: RVO:61388955 Keywords : isomerism * ruthenium * spectroelectrochemistry * structure Subject RIV: CF - Physical ; Theoretical Chemistry OBOR OECD: Physical chemistry Impact factor: 4.083, year: 2016

  4. Wave dispersion of carbon nanotubes conveying fluid supported on linear viscoelastic two-parameter foundation including thermal and small-scale effects

    Science.gov (United States)

    Sina, Nima; Moosavi, Hassan; Aghaei, Hosein; Afrand, Masoud; Wongwises, Somchai

    2017-01-01

    In this paper, for the first time, a nonlocal Timoshenko beam model is employed for studying the wave dispersion of a fluid-conveying single-walled carbon nanotube on Viscoelastic Pasternak foundation under high and low temperature change. In addition, the phase and group velocity for the nanotube are discussed, respectively. The influences of Winkler and Pasternak modulus, homogenous temperature change, steady flow velocity and damping factor of viscoelastic foundation on wave dispersion of carbon nanotubes are investigated. It was observed that the characteristic of the wave for carbon nanotubes conveying fluid is the normal dispersion. Moreover, implying viscoelastic foundation leads to increasing the wave frequencies.

  5. Photochromic ruthenium sulfoxide complexes: evidence for isomerization through a conical intersection.

    Science.gov (United States)

    McClure, Beth Anne; Mockus, Nicholas V; Butcher, Dennis P; Lutterman, Daniel A; Turro, Claudia; Petersen, Jeffrey L; Rack, Jeffrey J

    2009-09-07

    The complexes [Ru(bpy)(2)(OS)](PF(6)) and [Ru(bpy)(2)(OSO)](PF(6)), where bpy is 2,2'-bipyridine, OS is 2-methylthiobenzoate, and OSO is 2-methylsulfinylbenzoate, have been studied. The electrochemical and photochemical reactivity of [Ru(bpy)(2)(OSO)](+) is consistent with an isomerization of the bound sulfoxide from S-bonded (S-) to O-bonded (O-) following irradiation or electrochemical oxidation. Charge transfer excitation of [Ru(bpy)(2)(OSO)](+) in MeOH results in the appearance of two new metal-to-ligand charge transfer (MLCT) maxima at 355 and 496 nm, while the peak at 396 nm diminishes in intensity. The isomerization is reversible at room temperature in alcohol or propylene carbonate solution. In the absence of light, solutions of O-[Ru(bpy)(2)(OSO)](+) revert to S-[Ru(bpy)(2)(OSO)](+). Kinetic analysis reveals a biexponential decay with rate constants of 5.66(3) x 10(-4) s(-1) and 3.1(1) x 10(-5) s(-1). Cyclic voltammograms of S-[Ru(bpy)(2)(OSO)](+) are consistent with electron-transfer-triggered isomerization of the sulfoxide. Analysis of these voltammograms reveal E(S)(o)' = 0.86 V and E(O)(o)' = 0.49 V versus Ag/Ag(+) for the S- and O-bonded Ru(3+/2+) couples, respectively, in propylene carbonate. We found k(S-->O) = 0.090(15) s(-1) in propylene carbonate and k(S-->O) = 0.11(3) s(-1) in acetonitrile on Ru(III), which is considerably slower than has been reported for other sulfoxide isomerizations on ruthenium polypyridyl complexes following oxidation. The photoisomerization quantum yield (Phi(S-->O) = 0.45, methanol) is quite large, indicating a rapid excited state isomerization rate constant. The kinetic trace at 500 nm is monoexponential with tau = 150 ps, which is assigned to the excited S-->O isomerization rate. There is no spectroscopic or kinetic evidence for an O-bonded (3)MLCT excited state in the spectral evolution of S-[Ru(bpy)(2)(OSO)](+) to O-[Ru(bpy)(2)(OSO)](+). Thus, isomerization occurs nonadiabatically from an S-bonded (or eta(2

  6. Realizing tunable molecular thermal devices based on photoisomerism—Is it possible?

    Energy Technology Data Exchange (ETDEWEB)

    Ranganathan, Raghavan; Sasikumar, Kiran; Keblinski, Pawel, E-mail: keblip@rpi.edu [Department of Materials Science and Engineering, Rensselaer Polytechnic Institute, Troy, New York 12180 (United States)

    2015-01-14

    In this work, we address the question if it is possible to tune the thermal conductance through photoisomerism-capable molecular junctions. Using non-equilibrium molecular dynamics simulations, we study heat flow due to phonons between two silicon leads connected via two classes of photoisomeric molecules—(a) azobenzene and (b) Spiropyran (SP)–Merocyanine (MC) isomers. For the case of azobenzene, isomeric states with different conformations are realized via mechanical strain, while in the case of SP-MC, via a hybridization change. Based on the phononic contribution to thermal conductance, we observe that the thermal conductance of both junctions is rather insensitive to the isomeric state, thereby rendering the tunability of molecular thermal devices rather difficult. Consistent with these observations, the vibrational density of states for different configurations yields very similar spectra. We note that including the effect of electronic contribution to thermal conductance could enhance the tunability of thermal properties, albeit weakly.

  7. New isomeric states in {sup 152,154,156}Nd produced by spontaneous fission of {sup 252}Cf

    Energy Technology Data Exchange (ETDEWEB)

    Gautherin, C.; Houry, M.; Korten, W.; Le Coz, Y.; Lucas, R.; Phan, X.H.; Theisen, C. [Commissariat l`Energie Atomique de Saclay, Gif sur Yvette (France). DSM/DAPINA/SPhN; Badimon, C.; Barreau, G.; Doan, T.P.; Pedemay, G. [Centre d`Etudes Nucleaires de Bordeaux-Gradignan, Domaine du Haut Vigneau, F-33175 Gradignan (France); Belier, G.; Girod, M.; Meot, V.; Peru, S. [Commissariat a l`Energie Atomique de Bruyeres-le-Chatel, DAM/SPN, BP12, F-91680 Bruyeres-le-Chatel (France); Astier, A.; Ducroux, L.; Meyer, M.; Redon, N. [Institut de Physique Nucleaire de Lyon, F-69622 Villeurbanne Cedex (France)

    1998-04-01

    Isomeric states have been observed in fission-fragments produced by spontaneous fission of {sup 252}Cf. These states are found in neutron rich nuclei of different structure and deformations. About 50 isomeric nuclei have been observed using coincidences between {gamma}-rays identified in EUROGAM II and fission fragments detected in photovoltaic cells (SAPhIR). Lifetimes in the range from 20 ns to 2{mu}s have been measured. Presented calculations based on HFB+D1S force on new measured isomeric states in the {sup 152,154,156}Nd show evidence for K-isomers. (orig.) With 8 figs., 27 refs.

  8. Thermal Acoustic Fatigue Apparatus

    Data.gov (United States)

    Federal Laboratory Consortium — The Thermal Acoustic Fatigue Apparatus (TAFA) is a progressive wave tube test facility that is used to test structures for dynamic response and sonic fatigue due to...

  9. A Thermal-Electrically Cooled Quantum-Dot Middle-Wave Infrared Photodetector with High Quantum Efficiency and Photodetectivity, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Middle-wave infrared (LWIR, 3.2-3.6 m) photodetectors with a high specific photodetectivity (D*) are of great importance in NASA's lidar and remote sensing...

  10. Distinguishing PCB Isomeric Congeners with their Gas Chromatographic and Mass Spectrometric Ortho Effect using Comprehensive Gas Chromatography

    Science.gov (United States)

    The 209 polychlorinated biphenyl (PCB) congeners and associated nine isomeric groups (nine groups of PCBs with the same degree of chlorination) have been long recorded as high endocrine disrupting chemicals in the environment. Difficult analytical problems exist, in those frequen...

  11. Communication: An accurate calculation of the S1 C2H2 cis-trans isomerization barrier height

    International Nuclear Information System (INIS)

    Baraban, Joshua H.; Matthews, Devin A.; Stanton, John F.

    2016-01-01

    A high level ab initio calculation of the cis-trans isomerization barrier height in the first excited singlet electronic state of acetylene is found to agree very well with a recent experimental determination.

  12. Plasma waves in an inhomogeneous cylindrical plasma

    International Nuclear Information System (INIS)

    Pesic, S.S.

    1976-01-01

    The complete dispersion equation governing small amplitude plasma waves propagating in an inhomogeneous cylindrical plasma confined by a helical magnetic field is solved numerically. The efficiency of the wave energy thermalization in the lower hybrid frequency range is studied

  13. Efficient assembly of polysubstituted pyrroles via a (3 + 2) cycloaddition/skeletal rearrangement/redox isomerization cascade reaction.

    Science.gov (United States)

    Yu, Yuanyuan; Wang, Chunyu; He, Xinze; Yao, Xiaotong; Zu, Liansuo

    2014-07-03

    An unprecedented cascade strategy, used in conjunction with a redox isomerization, for the synthesis of 3-allyl pyrroles is reported. In a single step, readily accessible simple starting materials are transformed into highly substituted pyrroles with high efficiency. The products obtained contain allyl substituents, which can be readily elaborated to other useful functional groups. The reaction proceeds through an unusual (3 + 2) cycloaddition/skeletal rearrangement/redox isomerization pathway.

  14. Observation of excited states and isomeric decays in doubly-odd 208Fr

    International Nuclear Information System (INIS)

    Kanjilal, D.; Bhattacharya, S.; Goswami, A.; Kshetri, R.; Raut, R.; Saha, S.; Bhowmik, R.K.; Gehlot, J.; Jnaneswari, G.; Muralithar, S.; Singh, R.P.; Mukherjee, B.; Mukherjee, G.

    2009-01-01

    The nuclei near the doubly magic 208 Pb are predicted to exhibit various interesting structural phenomena, one of which is a wealth of isomerism. However, a detailed study of high spin states of 211, 212, 213 Fr has already been done. Structure of such trans-Lead nuclei can be interpreted in terms of the shell model states, and the high spin states of these nuclei are interpreted. One of the major interests in the spectroscopic investigation of these nuclei is the role played by the i 13/2 state in creating isomeric levels which decay through transitions of higher muiltipolarity, or are hindered by the close proximity of the levels below. A systematic study of these nuclei will possibly reveal many other interesting structural features

  15. Synthesis of Isomeric Phosphoubiquitin Chains Reveals that Phosphorylation Controls Deubiquitinase Activity and Specificity

    Directory of Open Access Journals (Sweden)

    Nicolas Huguenin-Dezot

    2016-07-01

    Full Text Available Ubiquitin is post-translationally modified by phosphorylation at several sites, but the consequences of these modifications are largely unknown. Here, we synthesize multi-milligram quantities of ubiquitin phosphorylated at serine 20, serine 57, and serine 65 via genetic code expansion. We use these phosphoubiquitins for the enzymatic assembly of 20 isomeric phosphoubiquitin dimers, with different sites of isopeptide linkage and/or phosphorylation. We discover that phosphorylation of serine 20 on ubiquitin converts UBE3C from a dual-specificity E3 ligase into a ligase that primarily synthesizes K48 chains. We profile the activity of 31 deubiquitinases on the isomeric phosphoubiquitin dimers in 837 reactions, and we discover that phosphorylation at distinct sites in ubiquitin can activate or repress cleavage of a particular linkage by deubiquitinases and that phosphorylation at a single site in ubiquitin can control the specificity of deubiquitinases for distinct ubiquitin linkages.

  16. Multi-quasiparticle high-K isomeric states in deformed nuclei

    Directory of Open Access Journals (Sweden)

    Xu F. R.

    2016-01-01

    Full Text Available In the past years, we have made many theoretical investigations on multi-quasiparticle high-K isomeric states. A deformation-pairing-configuration self-consistent calculation has been developed by calculating a configuration-constrained multi-quasiparticle potential energy surface (PES. The specific single-particle orbits that define the high-K configuration are identified and tracked (adiabatically blocked by calculating the average Nilsson numbers. The deformed Woods-Saxon potential was taken to give single-particle orbits. The configuration-constrained PES takes into account the shape polarization effect. Such calculations give good results on excitation energies, deformations and other structure information about multi-quasiparticle high-K isomeric states. Many different mass regions have been investigated.

  17. [Isomeric derivatives of lupinine and epilupinine--organophosphorus inhibitors of cholinesterases].

    Science.gov (United States)

    Basova, N E; Kormilitsyn, B N; Perchenok, A Iu; Rosengart, E V; Saakov, V S; Suvorov, A A

    2012-01-01

    The isomeric-structure analysis data of anticholinesterase action of organophosphorous inhibitors with similar structure help in the search of specific effectors and detection of differences in reactivity of various animals' enzymes. This study compared the data of efficacy in respect of 4 mammal and 5 arthropoda cholinesterase preparations for 26 quinolizidine inhibitors, which molecules contain both the isomeric unbranched and branched alkoxyl radicals in the phosphoryl group, and the epimeric lupinine and epilupinine derivatives in the leaving group. The changes in the alkoxyl radical structure of inhibitor molecules act on their efficacy only with respect to the mammal enzymes ("group" inhibitor specificity). The differences between lupinine and epilupinine derivatives were revealed. Highly specific inhibitors of different enzymes were detected among the tested compounds.

  18. An isomerization-induced cage-breaking process in a molecular glass former below Tg

    International Nuclear Information System (INIS)

    Teboul, V.; Saiddine, M.; Accary, J.-B.; Nunzi, J.-M.

    2011-01-01

    A recent experimental [P. Karageorgiev, D. Neher, B. Schulz, B. Stiller, U. Pietsch, M. Giersig, L. Brehmer, Nature Mater. 4, 699 (2005)] study has found liquidlike diffusion below the glass-transition temperature in azobenzene-containing materials under irradiation. This result suggests that the isomerization-induced massive mass transport that leads to surface relief gratings formation in these materials, is induced by this huge increase of the matrix diffusion coefficient around the probe. In order to investigate the microscopic origin of the increase of the diffusion, we use molecular dynamics simulations of the photoisomerization of probe dispersed red 1 molecules dispersed inside a glassy molecular matrix. Results show that the increased diffusion is due to an isomerization-induced cage-breaking process. A process that explains the induced cooperative motions recently observed in these photoactive materials.

  19. Catalytic Isomerization of Dihydroxyacetone to Lactic Acid and Alkyl Lactates over Hierarchical Zeolites Containing Tin

    Directory of Open Access Journals (Sweden)

    Agnieszka Feliczak-Guzik

    2018-01-01

    Full Text Available Hierarchical zeolites containing tin were obtained, characterized and used in a reaction of catalytic isomerization of dihydroxyacetone (DHA to lactic acid and alkyl lactates. These catalysts are characterized by preserved crystallinity and primary microporosity with the simultaneous existence of secondary porosity regarding mesopores, which facilitates access of large molecules of reagents to active centers. Creation of additional porosity was confirmed by X-ray diffraction and low-temperature nitrogen adsorption/desorption studies. The reaction of dihydroxyacetone isomerization was conducted in different reaction media such as methanol, ethanol or water with the use of two heating methods: microwave radiation and conventional heating. The application of microwave radiation enabled to reduce the reaction time to 1 h and achieve dihydroxyacetone conversion of >90% and high yields of the desired reaction products.

  20. Measurement of millisecond half-lives of isomeric levels in some nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Garg, K C; Khurana, C S [Punjabi Univ., Patiala (India). Nuclear Science Labs.

    1976-09-01

    Half-lives of 2.7, 14.5, 17, 20, 20.4, 44 and 2230 msec, of isomeric levels in /sup 208/Bi, /sup 88/Y, /sup 75/As, /sup 24/Na, /sup 71/Ge, /sup 114/In and /sup 167/Er respectively have been measured, employing on-line irradiation system. These millisecond isomeric levels are produced by 14.7 MeV neutrons through (n,p), (n,..cap alpha..), (n,n') and (n,2n) reactions on natural target samples. A ..gamma..-ray scintillation detector coupled with NTA-512B, 1024 channel analyzer has been used to follow the decay of the millisecond activities. Deflected deuteron beam bursts have been used to reduce the long-time background to initial count ratios in the decay curves to achieve a better accuracy of measurements.

  1. Collective coordinates and an accompanying metric force in structural isomerization dynamics of molecules

    International Nuclear Information System (INIS)

    Yanao, Tomohiro; Takatsuka, Kazuo

    2003-01-01

    Structural isomerization dynamics of three- and four-atom clusters of vanishing total angular momentum is studied in terms of internal coordinates of n-body systems on the basis of a gauge theory. The so-called principal-axis hyperspherical coordinates are employed effectively as collective variables for the study of isomerization reactions. It turns out that the non-Euclidean metric on the internal space gives rise to a force, which works in response to internal motions called the democratic (kinematic) rotations in the internal space. This metric force generally tends to induce an asymmetry in mass balance of a system, and is coupled with the usual potential force to give rise to trapped motions in the vicinity of the transition states of the cluster. This observation provides a different perspective for the so-called recrossing problem in chemical reaction dynamics

  2. A novel base-induced isomerization gives access to unprecedented (E)-exo-glycals.

    Science.gov (United States)

    Eppe, Guillaume; Dumitrescu, Lidia; Pierrot, Olivier; Li, Tianlei; Pan, Weidong; Vincent, Stéphane P

    2013-08-26

    Bump the base: This study reports the discovery of the base-induced Z-to-E isomerization of exo-glycals bearing an electron-withdrawing group (EWG). The scope of this novel transformation regarding the carbohydrate unit is also discussed. After elucidating the mechanism, preparation of novel (E)-exo- glycals was performed (TBS = tert-butyldimethylsilyl). Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Internal conversion of the (13/2+→5/2-) isomeric transition in 199Hg

    International Nuclear Information System (INIS)

    Radha Krishna, K.; Chandrasekhar Rao, M.V.S.; Sree Krishna Murty, G.; Venkateswara Rao, N.; Bhuloka Reddy, S.; Satyanarayana, G.; Sastry, D.L.; Iyer, M.R.; Sahasrabhude, S.G.

    1990-01-01

    The total conversion coefficient of the M4 transition (374 KeV) in the decay of the 13/2 + isomeric state to 5/2 - state in 199 Hg measured using the relative gamma intensity method α T is determined to be 6.34 ± 0.29 in agreement with the theory due to Rosel et al. (author). 1 tab., 3 figs., 11 refs

  4. {sup 13}C-NMR studies on disulfide bond isomerization in bovine pancreatic trypsin inhibitor (BPTI)

    Energy Technology Data Exchange (ETDEWEB)

    Takeda, Mitsuhiro [Kumamoto University, Department of Structural BioImaging, Faculty of Life Sciences (Japan); Miyanoiri, Yohei [Nagoya University, Structural Biology Research Center, Graduate School of Science (Japan); Terauchi, Tsutomu [Tokyo Metropolitan University, Graduate School of Science and Engineering (Japan); Kainosho, Masatsune, E-mail: kainosho@tmu.ac.jp [Nagoya University, Structural Biology Research Center, Graduate School of Science (Japan)

    2016-09-15

    Conformational isomerization of disulfide bonds is associated with the dynamics and thus the functional aspects of proteins. However, our understanding of the isomerization is limited by experimental difficulties in probing it. We explored the disulfide conformational isomerization of the Cys14–Cys38 disulfide bond in bovine pancreatic trypsin inhibitor (BPTI), by performing an NMR line-shape analysis of its Cys carbon peaks. In this approach, 1D {sup 13}C spectra were recorded at small temperature intervals for BPTI samples selectively labeled with site-specifically {sup 13}C-enriched Cys, and the recorded peaks were displayed in the order of the temperature after the spectral scales were normalized to a carbon peak. Over the profile of the line-shape, exchange broadening that altered with temperature was manifested for the carbon peaks of Cys14 and Cys38. The Cys14–Cys38 disulfide bond reportedly exists in equilibrium between a high-populated (M) and two low-populated states (m{sub c14} and m{sub c38}). Consistent with the three-site exchange model, biphasic exchange broadening arising from the two processes was observed for the peak of the Cys14 α-carbon. As the exchange broadening is maximized when the exchange rate equals the chemical shift difference in Hz between equilibrating sites, semi-quantitative information that was useful for establishing conditions for {sup 13}C relaxation dispersion experiments was obtained through the carbon line-shape profile. With respect to the m{sub c38} isomerization, the {sup 1}H-{sup 13}C signals at the β-position of the minor state were resolved from the major peaks and detected by exchange experiments at a low temperature.

  5. Model-Based Analysis and Efficient Operation of a Glucose Isomerization Reactor Plant

    DEFF Research Database (Denmark)

    Papadakis, Emmanouil; Madsen, Ulrich; Pedersen, Sven

    2015-01-01

    efficiency. The objective of this study is the application of the developed framework on an industrial case study of a glucose isomerization (GI) reactor plant that is part of a corn refinery, with the objective to improve the productivity of the process. Therefore, a multi-scale reactor model...... is developedfor use as a building block for the GI reactor plant simulation. An optimal operation strategy is proposed on the basis of the simulation results...

  6. Isomeric cross section ratios in 55Mn(α, n)58m,gCo reaction

    International Nuclear Information System (INIS)

    Long Xianguan; He Fuqing; Peng Xiufen; Liu Mantian

    1989-01-01

    The isomeric cross section ratios in 55 Mn(α, n) 58m,g Co reaction are measured for incident alpha-particle energies ranging from 10.4 to 26.5 MeV by using activation method and stacked-foil technique. The measured values are compared with theoretical calculations performed by using Huizenga and Vandenbosch method and the values of spin cutoff factor are obtained for product nucleus 58 Co

  7. High spin states in 63Cu. 17/2+ isomeric yrast state

    International Nuclear Information System (INIS)

    Tsan Ung Chan; Bruandet, J.F.; Dauchy, A.; Giorni, A.; Glasser, F.; Morand, C.; Chambon, B.; Drain, D.

    1979-01-01

    The 63 Cu nucleus has been studied via the reaction 61 Ni(α, pnγ), using different in beam γ spectroscopy techniques. An isomeric high-spin Yrast state 17/2 + (tau = 6.1 +- 0.6ns) is located at 4498 keV. The gsub(9/2) shell must be involved to explain positive high-spin states established in this work [fr

  8. [Photoionization ion mobility spectrometry (UV-IMS) for the isomeric volatile organic compounds].

    Science.gov (United States)

    Li, Hu; Niu, Wen-qi; Wang, Hong-mei; Huang, Chao-qun; Jiang, Hai-he; Chu, Yan-nan

    2012-01-01

    The construction and performance study is reported for a newly developed ultraviolet photoionization ion mobility spectrometry (UV-IMS). In the present paper, an UV-IMS technique was firstly developed to detect eleven isomeric volatile organic compounds including the differences in the structure of carbon chain, the style of function group and the position of function group. Their reduced mobility values were determined and increased in this order: linears alcohols homemade UV-IMS was around ppb-ppm.

  9. Cluster observations of particle acceleration up to supra-thermal energies in the cusp region related to low-frequency wave activity – possible implications for the substorm initiation process

    Directory of Open Access Journals (Sweden)

    T. A. Fritz

    2008-03-01

    Full Text Available The purpose of our study is to investigate the way particles are accelerated up to supra-thermal energies in the cusp diamagnetic cavities. For this reason we have examined a number of Cluster cusp crossings, originally identified by Zhang et al. (2005, for the years 2001 and 2002 using data from RAPID, STAFF, EFW, CIS, PEACE, and FGM experiments. In the present study we focus on two particular cusp crossings on 25 March 2002 and on 10 April 2002 which demonstrate in a clear way the general characteristics of the events in our survey. Both events exhibit very sharp spatial boundaries seen both in CNO (primarily single-charged oxygen of ionospheric origin based on CIS observations and H+ flux increases within the RAPID energy range with the magnetic field intensity being anti-correlated. Unlike the first event, the second one shows also a moderate electron flux increase. The fact that the duskward electric field Ey has relatively low values <5 mV/m while the local wave activity is very intense provides a strong indication that particle energization is caused primarily by wave-particle interactions. The wave power spectra and propagation parameters during these cusp events are examined in detail. It is concluded that the high ion fluxes and at the same time the presence or absence of any sign of energization in the electrons clearly shows that the particle acceleration depends on the wave power near the local particle gyrofrequency and on the persistence of the wave-particle interaction process before particles escape from cusp region. Furthermore, the continuous existence of energetic O+ ions suggests that energetic O+ populations are of spatial nature at least for the eight events that we have studied so far.

  10. High spin states and isomeric decays in doubly-odd {sup 208}Fr

    Energy Technology Data Exchange (ETDEWEB)

    Kanjilal, D.; Bhattacharya, S.; Goswami, A.; Kshetri, R.; Raut, R. [Nuclear and Atomic Physics Division, Saha Institute of Nuclear Physics, Kolkata 700064 (India); Saha, S., E-mail: satyajit.saha@saha.ac.i [Nuclear and Atomic Physics Division, Saha Institute of Nuclear Physics, Kolkata 700064 (India); Bhowmik, R.K.; Gehlot, J.; Muralithar, S.; Singh, R.P. [Inter University Accelerator Centre, New Delhi 110067 (India); Jnaneswari, G. [Department of Physics, Andhra University, Vishakhapatnam 530003 (India); Mukherjee, G. [Variable Energy Cyclotron Centre, Kolkata 700064 (India); Mukherjee, B. [Department of Physics, Visva Bharati, Santiniketan 731235 (India)

    2010-10-15

    Neutron deficient isotopes of francium (Z=87, N{approx}121-123) as excited nuclei were produced in the fusion-evaporation reaction: {sup 197}Au({sup 16}O, xn) {sup 213-x}Fr at 100 MeV. The {gamma} rays from the residues were observed through the high sensitivity Germanium Clover detector array INGA. The decay of the high spin states and the isomeric states of the doubly-odd {sup 208}Fr nuclei, identified from the known sequence of ground state transitions, were observed. The half-lives of the E{sub {gamma}=}194(2) keV isomeric transition, known from earlier observations, was measured to be T{sub 1/2}=233(18) ns. A second isomeric transition at E{sub {gamma}=}383(2) keV and T{sub 1/2}=33(7) ns was also found. The measured half-lives were compared with the corresponding single particle estimates, based on the level scheme obtained from the experiment.

  11. The study of a new short-life isomeric state in 38K

    International Nuclear Information System (INIS)

    Iordachescu, A.

    1976-01-01

    The 38 K nucleus having a protone and neutron hole coupled with a 40 Ca inert core has a structure analysed easily by the shell model. A new short life, high spin and highly excited isomeric state of the 38 K nucleus has been studied in detail using this model. Theoretical aspects connected with static and dynamic electromagnetic moments of the nucleus state, with the magnetic moment of the nucleus and the selection rules according to the isotopic spin are presented in the case of gamma transitions. Experimentallz/ presented in the case of gamma transitions. Experimentally, it has been used a combination between a natural pulsation of the cyclotron beam and an external pulsation by electrostatic deflexion, thus obtaining a pulsation beam of 12-26 MeV alpha particles. As targets, a series of chemical chlorine combinations have been utilized, the isomeric state being obtained by the reaction 35 Cl(α,n) 38 K, having the isomeric level (1fsub(7/2))sub(7+)sup(2). (author)

  12. Discussion of isomeric ratios in (p, n) and (d, 2n) reaction

    Energy Technology Data Exchange (ETDEWEB)

    Bakhshiyan, T. M., E-mail: tiruhi44@mail.ru [Yerevan State University (Armenia)

    2016-01-15

    Isomeric ratios (IR) in the (p, n) and (d, 2n) reactions are considered. The dependence of IR values on the projectile type and energy, the target- and product-nucleus spin, the spin difference between the isomeric and ground states of products, and the product mass number is discussed. The isomeric ratios for 46 product nuclei (from {sup 44m,g}Sc to {sup 127m,g}Xe) obtained in reactions where target and product nuclei have identical mass numbers were calculated at energies from the reaction threshold to 50 MeV (with a step of ΔE = 1 MeV). The calculations in question were performed with the aid of the TALYS 1.4 code package. The calculated IR values were compared with their experimental counterparts available from the literature (EXFOR database). In the majority of cases, the calculated IR values agree well with the experimental data in question. It is noteworthy that the IR values obtained in (d, 2n) reactions are substantially greater than those in (p, n) reactions.

  13. Photo-isomerization and oxidation of bilirubin in mammals is dependent on albumin binding.

    Science.gov (United States)

    Goncharova, Iryna; Jašprová, Jana; Vítek, Libor; Urbanová, Marie

    2015-12-01

    The bilirubin (BR) photo-conversion in the human body is a protein-dependent process; an effective photo-isomerization of the potentially neurotoxic Z,Z-BR as well as its oxidation to biliverdin in the antioxidant redox cycle is possible only when BR is bound on serum albumin. We present a novel analytical concept in the study of linear tetrapyrroles metabolic processes based on an in-depth mapping of binding sites in the structure of human serum albumin (HSA). A combination of fluorescence spectroscopy, circular dichroism (CD) spectroscopy, and molecular modeling methods was used for recognition of the binding site for BR, its derivatives (mesobilirubin and bilirubin ditaurate), and the products of the photo-isomerization and oxidation (lumirubin, biliverdin, and xanthobilirubic acid) on HSA. The CD spectra and fluorescent quenching of the Trp-HSA were used to calculate the binding constants. The results of the CD displacement experiments performed with hemin were interpreted together with the findings of molecular docking performed on the pigment-HSA complexes. We estimated that Z,Z-BR and its metabolic products bind on two independent binding sites. Our findings support the existence of a reversible antioxidant redox cycle for BR and explain an additional pathway of the photo-isomerization process (increase of HSA binding capacity; the excess free [unbound] BR can be converted and also bound to HSA). Copyright © 2015 Elsevier Inc. All rights reserved.

  14. Preclinical Evaluation of the Synthetic Adjuvant SQS-21 and its Constituent Isomeric Saponins

    Science.gov (United States)

    Ragupathi, Govind; Damani, Payal; Deng, Kai; Adams, Michelle M.; Hang, Jianfeng; George, Constantine; Livingston, Philip O.; Gin, David Y.

    2010-01-01

    The saponin fraction QS-21 from Quillaja saponaria has been demonstrated to be a potent immunological adjuvant when mixed with keyhole limpet hemocyanin conjugate vaccines, as well as with other classes of subunit antigen vaccines. QS-21 adjuvant is composed of two isomers that include the apiose and xylose forms in a ratio of 65:35, respectively. The chemical syntheses of these two isomers in pure form have recently been disclosed. Herein we describe detailed in vivo immunological evaluations of these synthetic QS-21 isomeric constituents, employing the GD3-KLH melanoma antigen. With this vaccine construct, high antibody titers against GD3 ganglioside and KLH were elicited when GD3-KLH was co-administered with adjuvant, either as the individual separate synthetic QS-21 isomers (SQS-21-Api or SQS-21-Xyl), or as its reconstituted 65:35 isomeric mixture (SQS-21). These antibody titer levels were comparable to that elicited by vaccinations employing naturally derived QS-21 (PQS-21). Moreover, toxicities of the synthetic saponin adjuvants were also found to be comparable to that of naturally derived PQS-21. These findings demonstrate unequivocally that the adjuvant activity of QS-21 resides in these two principal isomeric forms, and not in trace contaminants within the natural extracts. This lays the foundation for future exploration of structure-function correlations to enable the discovery of novel saponins with increased potency, enhanced stability, and attenuated toxicity. PMID:20450868

  15. Concurrent Mass Measurement and Laser Spectroscopy for Unambiguous Isomeric State Assignment

    Science.gov (United States)

    Lascar, Daniel; Babcock, Carla; Henderson, Jack; Pearson, Matt

    2017-09-01

    Recent work by the TITAN group at TRIUMF on isomeric state mass measurements of odd-A, neutron-rich cadmium nuclei has shown a disconnect between experiment and theory in 127 g , mCd. The spin and parity assignments of the ground and isomeric states are assigned as 3/2+ and 11/2-, respectively, primarily via systematic arguments. Conversely, state of the art shell model and ab initio calculations show a reversal of the states, predicting a ground state of 11/2- and a 3/2+ isomer. Penning Trap Mass Spectrometry (PTMS) can measure the energy separation between the ground state and the isomer without ambiguity but cannot, on its own, comment on the spin and parity. Collinear Laser Spectroscopy (CLS) experiments have been performed on 127Cd and have elegantly demonstrated the existence of both 3/2+ and 11/2- states. What CLS cannot do, on its own, is assign an ordering to those states. If, however, a PTMS and CLS experiment could be performed concurrently using identical beams from the same facility then there exists sufficient information shared between both experiments that a definitive assignment can be made. We present a concept for a new slate of measurements using existing experimental facilities simultaneously, with shared resources, to definitively assign spin and parity for ground and isomeric states in short-lived nuclei.

  16. Peptide models of protein metastable binding sites: competitive kinetics of isomerization and hydrolysis.

    Science.gov (United States)

    Khan, S A; Sekulski, J M; Erickson, B W

    1986-09-09

    alpha 2-Macroglobulin and the complement components C3 and C4 each contain a metastable binding site that is essential for covalent attachment. Two cyclic peptides are useful models of these unusual protein sites. Five-membered lactam 1 (CH3CO-Gly-Cys-Gly-Glu-Glp-Asn-NH2) contains an internal residue of pyroglutamic acid (Glp). Fifteen-membered thiolactone 2 (CH3CO-Gly-Cys-Gly-Glu-Glu-Asn-NH2 15-thiolactone) contains a thiol ester bond between Cys-2 and Glu-5. These isomeric hexapeptides are spontaneously interconverted in water. Competing with the two isomerization reactions are three reactions involving hydrolysis of 1 and 2. These five processes were found to occur simultaneously under physiologic conditions (phosphate-buffered saline, pH 7.3, 37 degrees C). Best estimates of the five rate constants for these apparent first-order reactions were obtained by comparing the observed molar percentages of peptides 1-4 with those calculated from a set of exponential equations. Both isomerization reactions (ring expansion of 1 to 2, k1 = 6.4 X 10(-5) s-1; ring contraction of 2 to 1, k-1 = 69 X 10(-5) s-1) proceeded faster than any of the hydrolysis reactions: alpha-cleavage of 1 with fragmentation to form dipeptide 3 (k2 = 3.3 X 10(-5) s-1), gamma-cleavage of 1 with ring opening to yield mercapto acid 4 (k3 = 0.35 X 10(-5) s-1), and hydrolysis of 2 with ring opening to give 4 (k4 = 1.9 X 10(-5) s-1). The isomerization rate ratio (k1/k-1 = 10.9) agreed with the isomer ratio at equilibrium (1:2 = 11 starting from 1 and 10 starting from 2). The alpha/gamma regioselectivity ratio (k2/k3 = 9.7) for hydrolysis of the internal Glp residue of 1 was consistent with results for model tripeptides. Part of the chemistry of the protein metastable binding sites can be explained by similar isomerization and hydrolysis reactions.

  17. K isomerism and collectivity in neutron-rich rare-earth isotopes

    Science.gov (United States)

    Patel, Zena

    Neutron-rich rare-earth isotopes were produced by in-flight fission of 238U ions at the Radioactive Isotope Beam Factory (RIBF), RIKEN, Japan. In-flight fission of a heavy, high-intensity beam of 238U ions on a light target provides the cleanest secondary beams of neutron-rich nuclei in the rare-earth region of isotopes. In-flight fission is advantageous over other methods of nuclear production, as it allows for a secondary beam to be extracted, from which the beam species can be separated and identified. The excited states of nuclei are studied by delayed isomeric or beta-delayed gamma-ray spectroscopy. New K isomers were found in Sm (Z=62), Eu (Z=63), and Gd (Z=64) isotopes. The key results are discussed here. Excited states in the N=102 isotones 166Gd and 164Sm have been observed following isomeric decay for the first time. The K-isomeric states in 166Gd and 164Sm are due to 2-quasiparticle configurations. Based on the decay patterns and potential energy surface calculations, including beta6 deformation, both isomers are assigned a (6-) spin-parity. The half-lives of the isomeric states have been measured to be 950(60)ns and 600(140)ns for 166Gd and 164Sm respectively. Collective observables are discussed in light of the systematics of the region, giving insight into nuclear shape evolution. The decrease in the ground state band energies of 166Gd and 164Sm (N=102) compared to 164Gd and 162Sm (N=100) respectively, presents evidence for the predicted deformed shell closure at N=100. A 4-quasiparticle isomeric state has been discovered in 160Sm: the lightest deformed nucleus with a 4-quasiparticle isomer to date. The isomeric state is assigned an (11+) spin-parity with a measured half-life of 1.8(4)us. The (11+) isomeric state decays into a rotational band structure, based on a (6-) v5/2-[523] ⊗ v7/2+[633] bandhead, determined from the extracted gK-gR values. Potential energy surface and blocked BCS calculations were performed in the deformed midshell region

  18. Vibrations and waves

    CERN Document Server

    Kaliski, S

    2013-01-01

    This book gives a comprehensive overview of wave phenomena in different media with interacting mechanical, electromagnetic and other fields. Equations describing wave propagation in linear and non-linear elastic media are followed by equations of rheological models, models with internal rotational degrees of freedom and non-local interactions. Equations for coupled fields: thermal, elastic, electromagnetic, piezoelectric, and magneto-spin with adequate boundary conditions are also included. Together with its companion volume Vibrations and Waves. Part A: Vibrations this work provides a wealth

  19. Slow wave cyclotron maser

    International Nuclear Information System (INIS)

    Kho, T.H.; Lin, A.T.

    1988-01-01

    Cyclotron masers such as Gyrotrons and the Autoresonance Masers, are fast wave devices: the electromagnetic wave's phase velocity v rho , is greater than the electron beam velocity, v b . To be able to convert the beam kinetic energy into radiation in these devices the beam must have an initial transverse momentum, usually obtained by propagating the beam through a transverse wiggler magnet, or along a nonuniform guide magnetic field before entry into the interaction region. Either process introduces a significant amount of thermal spread in the beam which degrades the performance of the maser. However, if the wave phase velocity v rho v b , the beam kinetic energy can be converted directly into radiation without the requirement of an initial transverse beam momentum, making a slow wave cyclotron maser a potentially simpler and more compact device. The authors present the linear and nonlinear physics of the slow wave cyclotron maser and examine its potential for practical application

  20. Stability and isomerization reactions of phenyl cation C{sub 6}H{sub 5}{sup +} isomers

    Energy Technology Data Exchange (ETDEWEB)

    Shi, Dandan [Institute of Atomic and Molecular Physics, Jilin University, Changchun 130012 (China); Jilin Provincial Key Laboratory of Applied Atomic and Molecular Spectroscopy (Jilin University), Changchun 130012 (China); Yang, Xue [College of Science, Jilin Institute of Chemical Technology, Jilin 132022 (China); Zhang, Xiaomei; Shan, Shimin [Institute of Atomic and Molecular Physics, Jilin University, Changchun 130012 (China); Jilin Provincial Key Laboratory of Applied Atomic and Molecular Spectroscopy (Jilin University), Changchun 130012 (China); Xu, Haifeng, E-mail: xuhf@jlu.edu.cn [Institute of Atomic and Molecular Physics, Jilin University, Changchun 130012 (China); Jilin Provincial Key Laboratory of Applied Atomic and Molecular Spectroscopy (Jilin University), Changchun 130012 (China); Yan, Bing, E-mail: yanbing@jlu.edu.cn [Institute of Atomic and Molecular Physics, Jilin University, Changchun 130012 (China); Jilin Provincial Key Laboratory of Applied Atomic and Molecular Spectroscopy (Jilin University), Changchun 130012 (China)

    2016-03-01

    Highlights: • A total of 60 isomers of C{sub 6}H{sub 5}{sup +} cations were obtained at density functional theory. • The stability and isomerization reactions of C{sub 6}H{sub 5}{sup +} isomers were performed. • The structures, frequencies, thermodynamic properties of isomers were summarized. • Ring to ring or chain isomerization pathways were investigated using IRC method. • Result shows reactions contain hydrogen transfer, bond broken and reconstruction. - Abstract: As a key polyatomic molecular cation that plays a pivotal role in growth of the polycyclic aromatic hydrocarbons, phenyl cation C{sub 6}H{sub 5}{sup +} exhibits various isomers and isomerization reactions. Investigation on the structure and stability of the isomers as well as the isomerization is important for better understanding the chemical reactions involving C{sub 6}H{sub 5}{sup +} cations. In this work, we have performed a theoretical study on the stability and isomerization reactions of C{sub 6}H{sub 5}{sup +} isomers at density functional theory B3LYP/6-311G (d, p) level. We have obtained a total of 60 isomers of C{sub 6}H{sub 5}{sup +} cations, most of which are reported for the first time. The geometries, vibrational frequencies, thermodynamic properties and stability of 28 out of 60 isomers have been summarized in detail. Different ring-to-ring and ring-to-chain isomerization pathways, which are connected via 28 transition states, have been investigated using the intrinsic reaction coordinate method. The results show that the isomerization reactions occur via hydrogen migration followed by bond-breaking and reconstruction.

  1. Capillary waves of compressible fluids

    International Nuclear Information System (INIS)

    Falk, Kerstin; Mecke, Klaus

    2011-01-01

    The interplay of thermal noise and molecular forces is responsible for surprising features of liquids on sub-micrometer lengths-in particular at interfaces. Not only does the surface tension depend on the size of an applied distortion and nanoscopic thin liquid films dewet faster than would be expected from hydrodynamics, but also the dispersion relation of capillary waves differ at the nanoscale from the familiar macroscopic behavior. Starting with the stochastic Navier-Stokes equation we study the coupling of capillary waves to acoustic surface waves which is possible in compressible fluids. We find propagating 'acoustic-capillary waves' at nanometer wavelengths where in incompressible fluids capillary waves are overdamped.

  2. Shape Isomer in 236U Populated by Thermal Neutron Capture

    DEFF Research Database (Denmark)

    Andersen, Verner; Christensen, Carl Jørgen; Borggreen, J.

    1976-01-01

    The 116 ns shape isomer in 236U was populated by thermal neutron capture. Conversion electrons and X-rays were detected simultaneously in delayed coincidence with fission. The ratio of delayed to prompt fission was measured with the result, σIIf/σf = (1.0±0.2) × 10−5. A branching of the isomeric ...... decay σIIγ/σIIf = 7±2 was deduced from this number. No definite electron line structure was observed....

  3. Isolation and characterization of (15Z)-lycopene thermally generated from a natural source

    Energy Technology Data Exchange (ETDEWEB)

    Takehara, Munenori, E-mail: takehara@mat.usp.ac.jp [Department of Materials Science, The University of Shiga Prefecture, Hassaka, Hikone 522-8533 (Japan); Kuwa, Takahiro; Inoue, Yoshinori; Kitamura, Chitoshi [Department of Materials Science, The University of Shiga Prefecture, Hassaka, Hikone 522-8533 (Japan); Honda, Masaki [Research & Development Division, Kagome Co., Ltd., Nishitomiyama, Nasushiobara 329-2762 (Japan)

    2015-11-06

    (15Z)-Lycopene was prepared by thermal isomerization of (all-E)-lycopene derived from tomatoes, and isolated by using a series of chromatographies. The fine red crystalline powder of (15Z)-lycopene was obtained from 556 mg of (all-E)-lycopene with a yield of 0.6 mg (purity: reversed-phase HPLC, 97.2%; normal-phase HPLC, ≥99.9%), and {sup 1}H and {sup 13}C NMR spectra of the isomer were fully assigned. More refined computational analyses that considered differences in the energy levels of the conformers involved in isomerization have also determined the stabilities of (15Z)-lycopene and other geometric isomers, along with the activation energies during isomerization from the all-E form. The fine control of conditions for HPLC separation and an advanced theoretical insight into geometric isomerization have led to the discovery of the 15Z-isomer generated from a natural source. - Highlights: • (15Z)-lycopene, isomerized from the all-E form of a natural source, was purified. • The obtained (15Z)-lycopene was structurally identified by an NMR analysis. • A modified theoretical study accounted for the generation of the 15Z-isomer. • This study demonstrated the occurrence of the isomer from a natural origin.

  4. Isolation and characterization of (15Z)-lycopene thermally generated from a natural source

    International Nuclear Information System (INIS)

    Takehara, Munenori; Kuwa, Takahiro; Inoue, Yoshinori; Kitamura, Chitoshi; Honda, Masaki

    2015-01-01

    (15Z)-Lycopene was prepared by thermal isomerization of (all-E)-lycopene derived from tomatoes, and isolated by using a series of chromatographies. The fine red crystalline powder of (15Z)-lycopene was obtained from 556 mg of (all-E)-lycopene with a yield of 0.6 mg (purity: reversed-phase HPLC, 97.2%; normal-phase HPLC, ≥99.9%), and 1 H and 13 C NMR spectra of the isomer were fully assigned. More refined computational analyses that considered differences in the energy levels of the conformers involved in isomerization have also determined the stabilities of (15Z)-lycopene and other geometric isomers, along with the activation energies during isomerization from the all-E form. The fine control of conditions for HPLC separation and an advanced theoretical insight into geometric isomerization have led to the discovery of the 15Z-isomer generated from a natural source. - Highlights: • (15Z)-lycopene, isomerized from the all-E form of a natural source, was purified. • The obtained (15Z)-lycopene was structurally identified by an NMR analysis. • A modified theoretical study accounted for the generation of the 15Z-isomer. • This study demonstrated the occurrence of the isomer from a natural origin.

  5. The Effect of n vs. iso Isomerization on the Thermophysical Properties of Aromatic and Non-aromatic Ionic Liquids.

    Science.gov (United States)

    Rodrigues, Ana S M C; Almeida, Hugo F D; Freire, Mara G; Lopes-da-Silva, José A; Coutinho, João A P; Santos, Luís M N B F

    2016-09-15

    This work explores the n vs. iso isomerization effects on the physicochemical properties of different families of ionic liquids (ILs) with variable aromaticity and ring size. This study comprises the experimental measurements, in a wide temperature range, of the ILs' thermal behavior, heat capacities, densities, refractive indices, surface tensions, and viscosities. The results here reported show that the presence of the iso -alkyl group leads to an increase of the temperature of the glass transition, T g . The iso- pyrrolidinium (5 atoms ring cation core) and iso -piperidinium (6 atoms ring cation core) ILs present a strong differentiation in the enthalpy and entropy of melting. Non-aromatic ILs have higher molar heat capacities due to the increase of the atomic contribution, whereas it was not found any significant differentiation between the n and iso -alkyl isomers. A small increase of the surface tension was observed for the non-aromatic ILs, which could be related to their higher cohesive energy of the bulk, while the lower surface entropy observed for the iso isomers indicates a structural resemblance between the IL bulk and surface. The significant differentiation between ILs with a 5 and 6 atoms ring cation in the n -alkyl series (where 5 atoms ring cations have higher surface entropy) is an indication of a more efficient arrangement of the non-polar region at the surface in ILs with smaller cation cores. The ILs constituted by non-aromatic piperidinium cation, and iso -alkyl isomers were found to be the most viscous among the studied ILs due to their higher energy barriers for shear stress.

  6. Shadowgraph studies of laser-assisted non-thermal structuring of thin layers on flexible substrates by shock-wave-induced delamination processes

    Energy Technology Data Exchange (ETDEWEB)

    Lorenz, Pierre, E-mail: pierre.lorenz@iom-leipzig.de [Leibniz-Institut für Oberflächenmodifizierung e. V., Permoserstraße 15, 04318 Leipzig (Germany); Smausz, Tomi [Department of Optics and Quantum Electronics, University of Szeged, H-6720 Szeged, Dóm tér 9 (Hungary); MTA-SZTE Research Group on Photoacoustic Spectroscopy, University of Szeged, H-6720 Szeged, Dóm tér 9 (Hungary); Csizmadia, Tamas [Department of Optics and Quantum Electronics, University of Szeged, H-6720 Szeged, Dóm tér 9 (Hungary); Ehrhardt, Martin; Zimmer, Klaus [Leibniz-Institut für Oberflächenmodifizierung e. V., Permoserstraße 15, 04318 Leipzig (Germany); Hopp, Bela [Department of Optics and Quantum Electronics, University of Szeged, H-6720 Szeged, Dóm tér 9 (Hungary)

    2015-05-01

    Highlights: • The shock-wave-induced film delamination (SWIFD) is a laser patterning process. • The SWIFD process of CIGS solar cells was studied by shadowgraph measurements. • The study presented that SWIFD allows the structuring of CIGS solar cells. • The dynamics of the delamination process was analyzed. - Abstract: The laser-assisted microstructuring of thin films especially for electronic applications without damaging the layers or the substrates is a challenge for the laser micromachining techniques. The laser-induced thin-film patterning by ablation of the polymer substrate at the rear side that is called ‘SWIFD’ – shock-wave-induced film delamination patterning has been demonstrated. This study focuses on the temporal sequence of processes that characterize the mechanism of this SWIFD process on a copper indium gallium selenide (CIGS) solar cell stacks on polyimide. For this purpose high-speed shadowgraph experiments were performed in a pump probe experimental set-up using a KrF excimer laser for ablating the rear side of the polyimide substrate and measuring the shock wave generation at laser ablation of the polymer substrate as well as the thin-film delamination. The morphology and size of the thin-film structures were studied by scanning electron microscopy (SEM). Furthermore, the composition after the laser treatment was analyzed by energy dispersive X-ray (EDX) spectroscopy. The shadowgraph experiments allow the time-dependent identification and evaluation of the shock wave formation, substrate bending, and delamination of the thin film in dependence on the laser parameters. These results will contribute to improve the physical understanding of the laser-induced delamination effect for thin-film patterning.

  7. Application of elastic wave dispersion relations to estimate thermal properties of nanoscale wires and tubes of varying wall thickness and diameter

    International Nuclear Information System (INIS)

    Bifano, Michael F P; Kaul, Pankaj B; Prakash, Vikas

    2010-01-01

    This paper reports dependency of specific heat and ballistic thermal conductance on cross-sectional geometry (tube versus rod) and size (i.e., diameter and wall thickness), in free-standing isotropic non-metallic crystalline nanostructures. The analysis is performed using dispersion relations found by numerically solving the Pochhammer-Chree frequency equation for a tube. Estimates for the allowable phonon dispersion relations within the crystal lattice are obtained by modifying the elastic acoustic dispersion relations so as to account for the discrete nature of the material's crystal lattice. These phonon dispersion relations are then used to evaluate the specific heat and ballistic thermal conductance in the nanostructures as a function of the nanostructure geometry and size. Two major results are revealed in the analysis: increasing the outer diameter of a nanotube while keeping the ratio of the inner to outer tube radius (γ) fixed increases the total number of available phonon modes capable of thermal population. Secondly, decreasing the wall thickness of a nanotube (i.e., increasing γ) while keeping its outer diameter fixed, results in a drastic decrease in the available phonon mode density and a reduction in the frequency of the longitudinal and flexural acoustic phonon modes in the nanostructure. The dependency of the nanostructure's specific heat on temperature indicates 1D, 2D, and 3D geometric phonon confinement regimes. Transition temperatures for each phonon confinement regime are shown to depend on both the nanostructure's wall thickness and outer radius. Compared to nanowires (γ = 0), the frequency reduction of acoustic phonon modes in thinner walled nanotubes (γ = 0.96) is shown to elevate the ballistic thermal conductance of the thin-walled nanotube between 0.2 and 150 K. At 20 K, the ballistic thermal conductance of the thin-walled nanotube (γ = 0.96) becomes 300% greater than that of a solid nanowire. For temperatures above 150 K, the trend

  8. Spontaneous Isomerization of Peptide Cation Radicals Following Electron Transfer Dissociation Revealed by UV-Vis Photodissociation Action Spectroscopy.

    Science.gov (United States)

    Imaoka, Naruaki; Houferak, Camille; Murphy, Megan P; Nguyen, Huong T H; Dang, Andy; Tureček, František

    2018-01-16

    Peptide cation radicals of the z-type were produced by electron transfer dissociation (ETD) of peptide dications and studied by UV-Vis photodissociation (UVPD) action spectroscopy. Cation radicals containing the Asp (D), Asn (N), Glu (E), and Gln (Q) residues were found to spontaneously isomerize by hydrogen atom migrations upon ETD. Canonical N-terminal [z 4 + H] +● fragment ion-radicals of the R-C ● H-CONH- type, initially formed by N-C α bond cleavage, were found to be minor components of the stable ion fraction. Vibronically broadened UV-Vis absorption spectra were calculated by time-dependent density functional theory for several [ ● DAAR + H] + isomers and used to assign structures to the action spectra. The potential energy surface of [ ● DAAR + H] + isomers was mapped by ab initio and density functional theory calculations that revealed multiple isomerization pathways by hydrogen atom migrations. The transition-state energies for the isomerizations were found to be lower than the dissociation thresholds, accounting for the isomerization in non-dissociating ions. The facile isomerization in [ ● XAAR + H] + ions (X = D, N, E, and Q) was attributed to low-energy intermediates having the radical defect in the side chain that can promote hydrogen migration along backbone C α positions. A similar side-chain mediated mechanism is suggested for the facile intermolecular hydrogen migration between the c- and [z + H] ● -ETD fragments containing Asp, Asn, Glu, and Gln residues. Graphical Abstract ᅟ.

  9. A system to measure isomeric state half-lives in the 10 ns to 10 μs range

    Energy Technology Data Exchange (ETDEWEB)

    Toufen, D. L., E-mail: dennis@if.usp.br [Institute of Physics, University of São Paulo, C.P. 66318, 05315-970 São Paulo, São Paulo (Brazil); Federal Institute of Education, Science and Technology of São Paulo - IFSP, 07115-000 Guarulhos, São Paulo (Brazil); Allegro, P. R. P.; Medina, N. H.; Oliveira, J. R. B.; Cybulska, E. W.; Seale, W. A.; Ribas, R. V. [Institute of Physics, University of São Paulo, C.P. 66318, 05315-970 São Paulo, São Paulo (Brazil); Linares, R. [Fluminense Federal University, 24220-900 Niterói, Rio de Janeiro (Brazil); Silveira, M. A. G. [Universitary Center of FEI, 09850-901 São Bernardo do Campo, São Paulo (Brazil)

    2014-07-15

    The Isomeric State Measurement System (SISMEI) was developed to search for isomeric nuclear states produced by fusion-evaporation reactions. The SISMEI consists of 10 plastic phoswich telescopes, two lead shields, one NaI(Tl) scintillation detector, two Compton suppressed HPGe γ-ray detectors, and a cone with a recoil product catcher. The new system was tested at the 8 UD Pelletron tandem accelerator of the University of São Paulo with the measurement of two known isomeric states: {sup 54}Fe, 10{sup +} state (E = 6527.1 (11) keV, T{sub 1/2} = 364(7) ns) and the 5/2{sup +} state of {sup 19}F (E = 197.143 (4) keV, T{sub 1/2} = 89.3 (10) ns). The results indicate that the system is capable of identifying delayed transitions, of measuring isomeric state lifetimes, and of identifying the feeding transitions of the isomeric state through the delayed γ-γ coincidence method. The measured half-life for the 10{sup +} state was T{sub 1/2} = 365(14) ns and for the 5/2{sup +} state, 100(36) ns.

  10. A system to measure isomeric state half-lives in the 10 ns to 10 μs range

    Science.gov (United States)

    Toufen, D. L.; Allegro, P. R. P.; Medina, N. H.; Oliveira, J. R. B.; Cybulska, E. W.; Seale, W. A.; Linares, R.; Silveira, M. A. G.; Ribas, R. V.

    2014-07-01

    The Isomeric State Measurement System (SISMEI) was developed to search for isomeric nuclear states produced by fusion-evaporation reactions. The SISMEI consists of 10 plastic phoswich telescopes, two lead shields, one NaI(Tl) scintillation detector, two Compton suppressed HPGe γ-ray detectors, and a cone with a recoil product catcher. The new system was tested at the 8 UD Pelletron tandem accelerator of the University of São Paulo with the measurement of two known isomeric states: 54Fe, 10+ state (E = 6527.1 (11) keV, T1/2 = 364(7) ns) and the 5/2+ state of 19F (E = 197.143 (4) keV, T1/2 = 89.3 (10) ns). The results indicate that the system is capable of identifying delayed transitions, of measuring isomeric state lifetimes, and of identifying the feeding transitions of the isomeric state through the delayed γ-γ coincidence method. The measured half-life for the 10+ state was T1/2 = 365(14) ns and for the 5/2+ state, 100(36) ns.

  11. Spontaneous Isomerization of Peptide Cation Radicals Following Electron Transfer Dissociation Revealed by UV-Vis Photodissociation Action Spectroscopy

    Science.gov (United States)

    Imaoka, Naruaki; Houferak, Camille; Murphy, Megan P.; Nguyen, Huong T. H.; Dang, Andy; Tureček, František

    2018-01-01

    Peptide cation radicals of the z-type were produced by electron transfer dissociation (ETD) of peptide dications and studied by UV-Vis photodissociation (UVPD) action spectroscopy. Cation radicals containing the Asp (D), Asn (N), Glu (E), and Gln (Q) residues were found to spontaneously isomerize by hydrogen atom migrations upon ETD. Canonical N-terminal [z4 + H]+● fragment ion-radicals of the R-C●H-CONH- type, initially formed by N-Cα bond cleavage, were found to be minor components of the stable ion fraction. Vibronically broadened UV-Vis absorption spectra were calculated by time-dependent density functional theory for several [●DAAR + H]+ isomers and used to assign structures to the action spectra. The potential energy surface of [●DAAR + H]+ isomers was mapped by ab initio and density functional theory calculations that revealed multiple isomerization pathways by hydrogen atom migrations. The transition-state energies for the isomerizations were found to be lower than the dissociation thresholds, accounting for the isomerization in non-dissociating ions. The facile isomerization in [●XAAR + H]+ ions (X = D, N, E, and Q) was attributed to low-energy intermediates having the radical defect in the side chain that can promote hydrogen migration along backbone Cα positions. A similar side-chain mediated mechanism is suggested for the facile intermolecular hydrogen migration between the c- and [z + H]●-ETD fragments containing Asp, Asn, Glu, and Gln residues. [Figure not available: see fulltext.

  12. A comprehensive mechanistic picture of the isomerizing alkoxycarbonylation of plant oils

    KAUST Repository

    Roesle, Philipp

    2014-12-03

    Theoretical studies on the overall catalytic cycle of isomerizing alkoxycarbonylation reveal the steric congestion around the diphosphine coordinated Pd-center as decisive for selectivity and productivity. The energy profile of isomerization is flat with diphosphines of variable steric bulk, but the preference for the formation of the linear Pd-alkyl species is more pronounced with sterically demanding diphosphines. CO insertion is feasible and reversible for all Pd-alkyl species studied and only little affected by the diphosphine. The overall rate-limiting step associated with the highest energetic barrier is methanolysis of the Pd-acyl species. Considering methanolysis of the linear Pd-acyl species, whose energetic barrier is lowest within all the Pd-acyl species studied, the barrier is calculated to be lower for more congesting diphosphines. Calculations indicate that energy differences of methanolysis of the linear versus branched Pd-acyls are more pronounced for more bulky diphosphines, due to involvement of different numbers of methanol molecules in the transition state. Experimental studies under pressure reactor conditions showed a faster conversion of shorter chain olefin substrates, but virtually no effect of the double bond position within the substrate. Compared to higher olefins, ethylene carbonylation under identical conditions is much faster, likely due not just to the occurrence of reactive linear acyls exclusively but also to an intrinsically favorable insertion reactivity of the olefin. The alcoholysis reaction is slowed down for higher alcohols, evidenced by pressure reactor and NMR studies. Multiple unsaturated fatty acids were observed to form a terminal Pd-allyl species upon reaction with the catalytically active Pd-hydride species. This process and further carbonylation are slow compared to isomerizing methoxycarbonylation of monounsaturated fatty acids, but selective.

  13. A comprehensive mechanistic picture of the isomerizing alkoxycarbonylation of plant oils.

    Science.gov (United States)

    Roesle, Philipp; Caporaso, Lucia; Schnitte, Manuel; Goldbach, Verena; Cavallo, Luigi; Mecking, Stefan

    2014-12-03

    Theoretical studies on the overall catalytic cycle of isomerizing alkoxycarbonylation reveal the steric congestion around the diphosphine coordinated Pd-center as decisive for selectivity and productivity. The energy profile of isomerization is flat with diphosphines of variable steric bulk, but the preference for the formation of the linear Pd-alkyl species is more pronounced with sterically demanding diphosphines. CO insertion is feasible and reversible for all Pd-alkyl species studied and only little affected by the diphosphine. The overall rate-limiting step associated with the highest energetic barrier is methanolysis of the Pd-acyl species. Considering methanolysis of the linear Pd-acyl species, whose energetic barrier is lowest within all the Pd-acyl species studied, the barrier is calculated to be lower for more congesting diphosphines. Calculations indicate that energy differences of methanolysis of the linear versus branched Pd-acyls are more pronounced for more bulky diphosphines, due to involvement of different numbers of methanol molecules in the transition state. Experimental studies under pressure reactor conditions showed a faster conversion of shorter chain olefin substrates, but virtually no effect of the double bond position within the substrate. Compared to higher olefins, ethylene carbonylation under identical conditions is much faster, likely due not just to the occurrence of reactive linear acyls exclusively but also to an intrinsically favorable insertion reactivity of the olefin. The alcoholysis reaction is slowed down for higher alcohols, evidenced by pressure reactor and NMR studies. Multiple unsaturated fatty acids were observed to form a terminal Pd-allyl species upon reaction with the catalytically active Pd-hydride species. This process and further carbonylation are slow compared to isomerizing methoxycarbonylation of monounsaturated fatty acids, but selective.

  14. Positionally isomeric organic gelators: structure-gelation study, racemic versus enantiomeric gelators, and solvation effects.

    Science.gov (United States)

    Caplar, Vesna; Frkanec, Leo; Sijaković Vujicić, Natasa; Zinić, Mladen

    2010-03-08

    Low molecular weight gelator molecules consisting of aliphatic acid, amino acid (phenylglycine), and omega-aminoaliphatic acid units have been designed. By varying the number of methylene units in the aliphatic and omega-aminoaliphatic acid chains, as defined by descriptors m and n, respectively, a series of positionally isomeric gelators having different positions of the peptidic hydrogen-bonding unit within the gelator molecule has been obtained. The gelation properties of the positional isomers have been determined in relation to a defined set of twenty solvents of different structure and polarity and analyzed in terms of gelator versatility (G(ver)) and effectiveness (G(eff)). The results of gelation tests have shown that simple synthetic optimizations of a "lead gelator molecule" by variation of m and n, end-group polarity (carboxylic acid versus sodium carboxylate), and stereochemistry (racemate versus optically pure form) allowed the identification of gelators with tremendously improved versatility (G(ver)) and effectiveness (G(eff)). Dramatic differences in G(eff) values of up to 70 times could be observed between pure racemate/enantiomer pairs of some gelators, which were manifested even in the gelation of very similar solvents such as isomeric xylenes. The combined results of spectroscopic ((1)H NMR, FTIR), electron microscopy (TEM), and X-ray diffraction studies suggest similar organization of the positionally isomeric gelators at the molecular level, comprising parallel beta-sheet hydrogen-bonded primary assemblies that form inversed bilayers at a higher organizational level. Differential scanning calorimetry (DSC) studies of selected enantiomer/racemate gelator pairs and their o- and p-xylene gels revealed the simultaneous presence of different polymorphs in the racemate gels. The increased gelation effectiveness of the racemate compared to that of the single enantiomer is most likely a consequence of its spontaneous resolution into enantiomeric

  15. Outcomes following the Kawashima procedure for single-ventricle palliation in left atrial isomerism.

    Science.gov (United States)

    Vollebregt, Anne; Pushparajah, Kuberan; Rizvi, Maleeha; Hoschtitzky, Andreas; Anderson, David; Austin, Conal; Tibby, Shane M; Simpson, John

    2012-03-01

    Patients with left atrial isomerism and interrupted inferior vena cava palliated with a superior cavopulmonary connection or Kawashima procedure (KP) have a high incidence of developing pulmonary arteriovenous malformations. The necessity for hepatic vein redirection (HVR) and its timing remains a controversy. We aimed to assess the clinical outcome of patients with left atrial isomerism following a KP. The main end points were death, requirement for HVR and the impact of HVR on oxygen saturation. Retrospective review of 21 patients with a diagnosis of left atrial isomerism, interruption of the inferior vena cava and single-ventricle physiology managed with a KP at a single centre between January 1990 and March 2010. Twenty-one patients had a KP, with 12 subsequently undergoing HVR. There was relatively a constant monthly decrement in the proportion of patients who were free from death or HVR up until 60 months following the KP, with a dramatic increase in the hazard after this time. The Cox proportional hazards regression model demonstrated a reduced early risk for HVR or death in patients who underwent pulmonary artery banding versus arterial shunt as the primary procedure (hazard ratio: 0.10; P = 0.01), and an increased risk with bilateral superior vena cavas (SVCs) (hazard ratio: 3.4; P = 0.04) and age at KP (hazard ratio: 1.02 per month increase in age at KP; P = 0.02). HVR mortality was relatively high with 3 of 12 patients dying in the early postoperative period with profound cyanosis. The timing of HVR after the KP did not influence the postoperative rate of increase in oxygen saturation. These findings confirm that the majority of patients who undergo a KP will require HVR. Patients who are older at the time of the KP or having an initial arterial shunt or bilateral SVCs are at higher risk of HVR or death. The relatively high mortality at HVR was characterized by severe postoperative cyanosis.

  16. Dipole-resonance assisted isomerization in the electronic ground state using few-cycle infrared pulses.

    Science.gov (United States)

    Skocek, Oliver; Uiberacker, Christoph; Jakubetz, Werner

    2011-06-30

    A computational investigation of HCN → HNC isomerization in the electronic ground state by one- and few-cycle infrared pulses is presented. Starting from a vibrationally pre-excited reagent state, isomerization yields of more than 50% are obtained using single one- to five-cycle pulses. The principal mechanism includes two steps of population transfer by dipole-resonance (DR), and hence, the success of the method is closely linked to the polarity of the system and, in particular, the stepwise change of the dipole moment from reactant to transition state and on to products. The yield drops massively if the diagonal dipole matrix elements are artificially set to zero. In detail, the mechanism includes DR-induced preparation of a delocalized vibrational wavepacket, which traverses the barrier region and is finally trapped in the product well by DR-dominated de-excitation. The excitation and de-excitation steps are triggered by pulse lobes of opposite field direction. As the number of optical cycles is increased, the leading field lobes prepare a vibrational superposition state by off-resonant ladder climbing, which is then subjected to the three steps of the principal isomerization mechanism. DR excitation is more efficient from a preformed vibrational wavepacket than from a molecular eigenstate. The entire process can be loosely described as Tannor-Kosloff-Rice type transfer mechanism on a single potential surface effected by a single pulse, individual field lobes assuming the roles of pump- and dump-pulses. Pre-excitation to a transient wavepacket can be enhanced by applying a separate, comparatively weak few-cycle prepulse, in which the prepulse prepares a vibrational wavepacket. The two-pulse setup corresponds to a double Tannor-Kosloff-Rice control scheme on a single potential surface.

  17. Stress wave focusing transducers

    Energy Technology Data Exchange (ETDEWEB)

    Visuri, S.R., LLNL

    1998-05-15

    Conversion of laser radiation to mechanical energy is the fundamental process behind many medical laser procedures, particularly those involving tissue destruction and removal. Stress waves can be generated with laser radiation in several ways: creation of a plasma and subsequent launch of a shock wave, thermoelastic expansion of the target tissue, vapor bubble collapse, and ablation recoil. Thermoelastic generation of stress waves generally requires short laser pulse durations and high energy density. Thermoelastic stress waves can be formed when the laser pulse duration is shorter than the acoustic transit time of the material: {tau}{sub c} = d/c{sub s} where d = absorption depth or spot diameter, whichever is smaller, and c{sub s} = sound speed in the material. The stress wave due to thermoelastic expansion travels at the sound speed (approximately 1500 m/s in tissue) and leaves the site of irradiation well before subsequent thermal events can be initiated. These stress waves, often evolving into shock waves, can be used to disrupt tissue. Shock waves are used in ophthalmology to perform intraocular microsurgery and photodisruptive procedures as well as in lithotripsy to fragment stones. We have explored a variety of transducers that can efficiently convert optical to mechanical energy. One such class of transducers allows a shock wave to be focused within a material such that the stress magnitude can be greatly increased compared to conventional geometries. Some transducer tips could be made to operate regardless of the absorption properties of the ambient media. The size and nature of the devices enable easy delivery, potentially minimally-invasive procedures, and precise tissue- targeting while limiting thermal loading. The transducer tips may have applications in lithotripsy, ophthalmology, drug delivery, and cardiology.

  18. Gravitational waves from inflation

    International Nuclear Information System (INIS)

    Guzzetti, M.C.; Bartolo, N.; Liguori, M.; Matarrese, S.

    2016-01-01

    The production of a stochastic background of gravitational waves is a fundamental prediction of any cosmological inflationary model. The features of such a signal encode unique information about the physics of the Early Universe and beyond, thus representing an exciting, powerful window on the origin and evolution of the Universe. We review the main mechanisms of gravitational-wave production, ranging from quantum fluctuations of the gravitational field to other mechanisms that can take place during or after inflation. These include e.g. gravitational waves generated as a consequence of extra particle production during inflation, or during the (p)reheating phase. Gravitational waves produced in inflation scenarios based on modified gravity theories and second-order gravitational waves are also considered. For each analyzed case, the expected power spectrum is given. We discuss the discriminating power among different models, associated with the validity/violation of the standard consistency relation between tensor-to-scalar ratio r and tensor spectral index ηT. In light of the prospects for (directly/indirectly) detecting primordial gravitational waves, we give the expected present-day gravitational radiation spectral energy-density, highlighting the main characteristics imprinted by the cosmic thermal history, and we outline the signatures left by gravitational waves on the Cosmic Microwave Background and some imprints in the Large-Scale Structure of the Universe. Finally, current bounds and prospects of detection for inflationary gravitational waves are summarized.

  19. Abnormal radioactive decays out of long-lived super- and hyper-deformed isomeric states

    International Nuclear Information System (INIS)

    Marinov, A.; Gelberg, S.; Kolb, D.

    2000-01-01

    Complete text of publication follows. Recently (1-3) long-lived isomeric states have been found in the super- and hyper-deformed wells of the potential. These isomers manifested themselves by abnormal particle decays. An isomeric state in the superdeformed well of the potential in the parent nucleus can decay by very enhanced α-particle groups to superdeformed states in the daughter (1) or by very retarded α-particles (3) and also by protons (2) to normal states in the daughters. Similarly an isomeric state in the hyper-deformed well may decay by very retarded α-particle groups to superdeformed states (3), or by very enhanced α-groups to hyper-deformed states in the daughter nucleus (4). All these very unusual decay modes have been observed experimentally (1-4). For instance, a very high energy α-group of 8.6 MeV with 40d ≤ t 1/2 ≤ 2y (retardation factor of ∼10 13 ) has been observed in 195 Hg and interpreted as a III min → II min α-transition (3). Likewise, relatively low-energy and very enhanced α-particle groups (enhancement factors of 10 5 to 10 7 ) have been seen in several actinide sources and interpreted as due to II min → II min and III min → III min transitions (4). These unusual decay modes introduce new considerations in the study of heavy and superheavy elements. For instance, if low-energy α-particle groups around 4.4 - 4.6 MeV have been seen in nature (5), they may be interpreted as due to very enhanced III min → III min transitions in the superheavy element region around Z = 108 (eka-Os) with t 1/2 ∼10 8 y rather than ∼10 15 y as expected for normal α-transitions of such energies in this region, or due to very retarded III min → II min or II min → I min decays in nuclei around Os itself. In both cases, if such activities have been seen in nature, they indicate that the existence of the II min and III min isomeric states may be important in the nucleosynthesis process. It should be mentioned that long-lived high

  20. Cascade olefin isomerization/intramolecular Diels-Alder reaction catalyzed by N-heterocyclic carbenes.

    Science.gov (United States)

    Kowalczyk, Marcin; Lupton, David W

    2014-05-19

    The addition of an N-heterocyclic carbene to the carbonyl group of an α,β,γ,δ-unsaturated enol ester affords a hemiacetal azolium intermediate that enables a cascade olefin isomerization/Diels-Alder reaction, for which mechanistic studies implicate Lewis base catalysis. Preliminary studies into the utility of the products have been undertaken with reductive and oxidative cleavage, giving materials for potential use in complex-target synthesis. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Modelling of tracer-kinetic results using xylene isomerization as an example

    International Nuclear Information System (INIS)

    Bauer, F.J.; Dermietzel, J.; Roesseler, M.; Koch, H.

    1976-01-01

    The analysis of results from differential or/and integral reactor experiments often admits the interpretation of a chemical reaction in several ways. In addition, the use of mathematical methods for the model selection and planning of experiments is rendered more difficult by great confidence intervals of the ascertained model parameters. The application of radioactively labelled molecules results in improving the knowledge of reaction mechanisms as well as the assessment of parameters obtained. This is shown on the basis of modelling the isomerization of xylene. (author)

  2. Macrocyclic effects upon isomeric Cu M and M Cu cores. Formation ...

    Indian Academy of Sciences (India)

    Administrator

    from the iminic site to the aminic site in the synthesis of 10 is explained by ... Our previous studies suggest that isomeric MIICuII ... Calcd. for C24H27Br2ClCuN4NiO8: C 35⋅28; H 3⋅33; N 6⋅86; Cu 7⋅78; Ni .... Electronic absorption spectra in .... 3. 1497(1). 1452. ⋅3(5). 2992(1). 1860(2). 3206(1). Z. 2. 2. 4. 2. 4. D calcd. /g.

  3. Isotope exchange study of nickel xanthate in presence of aniline and isomeric toluidines

    International Nuclear Information System (INIS)

    Naidu, G.R.K.; Naidu, P.R.

    1982-01-01

    Isotopic exchange behaviour of nickel xanthate is studied in the presence of aniline and three isomeric toluidines at 18degC. The effect of base concentration is also studied on the exchange rate. The results show that the complex is labile in the kinetic sense in the presence of aniline meta and para toluidines. The rate of exchange increases with and para toluidines. The rate of exchange increases with increase in concentration of the base. The complex displays inert behaviour in the presence of o-toluidine and it is ascribed to dominant steric effect. (author)

  4. Magnetic dipole moments of High-K isomeric states in Hf isotopes

    CERN Multimedia

    Walters, W; Nishimura, K; Bingham, C R

    2007-01-01

    It is proposed to make precision measurements of the magnetic moments of 5 multi-quasi-particle K-isomers in Hf nuclei by the Nuclear Magnetic Resonance of Oriented Nuclei (NMR/ON) technique using the NICOLE on-line nuclear orientation facility and exploiting the unique HfF$_{3}$ beams recently available at ISOLDE. Results will be used to extract single-particle and collective g-factors of the isomeric states and their excitations and to shed new light on their structure.

  5. β decay and isomeric properties of neutron-rich Ca and Sc isotopes

    International Nuclear Information System (INIS)

    Crawford, H. L.; Mantica, P. F.; Berryman, J. S.; Stoker, J. B.; Janssens, R. V. F.; Carpenter, M. P.; Kay, B. P.; Lauritsen, T.; Zhu, S.; Broda, R.; Cieplicka, N.; Fornal, B.; Grinyer, G. F.; Minamisono, K.; Hoteling, N.; Stefanescu, I.; Walters, W. B.

    2010-01-01

    The isomeric and β-decay properties of neutron-rich 53-57 Sc and 53,54 Ca nuclei near neutron number N=32 are reported, and the low-energy level schemes of 53,54,56 Sc and 53-57 Ti are presented. The low-energy level structures of the 21 Sc isotopes are discussed in terms of the coupling of the valence 1f 7/2 proton to states in the corresponding 20 Ca cores. Implications with respect to the robustness of the N=32 subshell closure are discussed, as well as the repercussions for a possible N=34 subshell closure.

  6. Quantum control of isomerization by robust navigation in the energy spectrum

    Energy Technology Data Exchange (ETDEWEB)

    Murgida, G. E., E-mail: murgida@tandar.cnea.gov.ar [Centro Atómico Constituyentes, GIyA, CNEA, San Martín, and Consejo Nacional de Investigaciones Científicas y Técnicas, C1033AAJ Buenos Aires (Argentina); Arranz, F. J., E-mail: fj.arranz@upm.es [Grupo de Sistemas Complejos, Universidad Politécnica de Madrid, 28040 Madrid (Spain); Borondo, F., E-mail: f.borondo@uam.es [Departamento de Química, Universidad Autónoma de Madrid, Cantoblanco, 28049 Madrid (Spain); Instituto de Ciencias Matemáticas (ICMAT), Cantoblanco, 28049 Madrid (Spain)

    2015-12-07

    In this paper, we present a detailed study on the application of the quantum control technique of navigation in the energy spectrum to chemical isomerization processes, namely, CN–Li⇆ Li–CN. This technique is based on the controlled time variation of a Hamiltonian parameter, an external uniform electric field in our case. The main result of our work establishes that the navigation involved in the method is robust, in the sense that quite sizable deviations from a pre-established control parameter time profile can be introduced and still get good final results. This is specially relevant thinking of a experimental implementation of the method.

  7. Isomeric N-Annulated Perylene Diimide Dimers for Organic Solar Cells.

    Science.gov (United States)

    Ma, Zetong; Fu, Huiting; Meng, Dong; Jiang, Wei; Sun, Yanming; Wang, Zhaohui

    2018-04-16

    Two isomeric N-annulated perylene diimide dimers, namely, p-BDNP and m-BDNP were designed and synthesized via geometric tuning. The distinct molecular geometry and packing arrangements of isomers with almost identical optical and electrochemical properties rendered us an in-depth understanding of the molecular structure-aggregation state-photovoltaic performance relationship. Blended with the commercially available donor PCE-10, p-BDNP and m-BDNP showed distinct differences in photovoltaic performance with power conversion efficiencies (PCEs) of 5.01 % and 4.15 %, respectively. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. g-factor of the 7- isomeric state in 128Ba

    International Nuclear Information System (INIS)

    Kaur, J.; Bansal, N.; Bhati, A.K.; Sharma, V.R.; Kumar, H.; Kumar, R.; Bhowmik, R.K.; Kumar, V.

    2014-01-01

    The time differential perturbed angular distribution technique (TDPAD) has been used to measure the g-factor of the 2396 keV, 7 - isomeric state in 128 Ba. The measured value of g(7 - ) is 1.21 ± 0.01. This value is about 80% higher than the value for the expected configuration of the state and also different in sign. This clearly shows that the configuration of the state does not correspond to the pure two quasineutron configuration that was assigned to it through previous results of in-beam γ-ray spectroscopy

  9. Anesthetic implications of total anomalous systemic venous connection to left atrium with left isomerism

    Directory of Open Access Journals (Sweden)

    Parimala Prasanna Simha

    2012-01-01

    Full Text Available Total anomalous systemic venous connection (TASVC to the left atrium (LA is a rare congenital anomaly. An 11-year-old girl presented with complaints of palpitations and cyanosis. TASVC with left isomerism and noncompaction of LV was diagnosed after contrast echocardiogram and computed tomography angiogram. The knowledge of anatomy and pathophysiology is essential for the successful management of these cases. Anesthetic concerns in this case were polycythemia, paradoxical embolism and rhythm abnormalities. The patient was successfully operated by rerouting the systemic venous connection to the right atrium.

  10. Behavior of the excited deformed band and search for shape isomerism in 184Hg

    International Nuclear Information System (INIS)

    Cole, J.D.; Hamilton, J.H.; Ramayya, A.V.; Nettles, W.G.; Kawakami, H.; Spejewski, E.H.; Ijaz, M.A.; Toth, K.S.; Robinson, E.L.; Sastry, K.S.R.; Lin, J.; Avignone, F.T.; Brantley, W.H.; Rao, P.V.G.

    1976-01-01

    The new isotope 184 Tl has been identified with T 1 / 2 =11 +- 1 sec and the levels in 184 Hg investigated from its decay. The 0 + band head of a deformed band was found to drop to 375 keV in agreement with theoretical predictions. The mean life of the 375-keV 0 + level was measured to be 0.9 +- 0.3 nsec which is a factor of 10 faster than theoretically predicted for a shape-isomeric E2 transition

  11. An infrared study of the nitro—nitrito linkage isomerization in solid nitro- and nitritopentamminecobalt(III) chloride

    Science.gov (United States)

    Heyns, A. M.; de Waal, D.

    1989-01-01

    The photochemical isomerization reaction of [Co(NH 3) 5NO 2]Cl 2 to [Co(NH 3) 5ONO]Cl 2 has been studied in the solid state by means of i.r. spectroscopy. The reaction is first order with k = 2.53±0.05 × 10 -4s -1 and is much faster ( t1/2=49min) than the well-known spontaneous nitrito → nitro isomerization ( t1/2 = 6 days). The i.r. bands of both the NH 3 and ONO - -groups in the range 4000-50 cm -1 indicate minor differences between the structures of freshly and photochemically prepared [Co(NH 3) 5ONO]Cl 2. The far i.r. spectra indicate the disorder existing in the intermediate products during the isomerization processes.

  12. Determination of the isomeric fraction in a postaccelerated radioactive ion beam using the coupled decay-chain equations

    CERN Document Server

    Ekstrom, A; Dijulio, D D; Cederkall, J; Van de Walle, J

    2010-01-01

    A method based on the coupled decay-chain equations for extracting the isotopic and the isomeric composition of a postaccelerated radioactive ion beam is presented and demonstrated on a data set from a Coulomb excitation experiment. This is the first attempt of analyzing the content of a postaccelerated radioactive ion beam using this technique. The beam composition is required for an absolute normalization of the measurement. The strength of the method, as compared to present online-based methods, lies in the determination of the isomeric fraction of a partially isomeric beam using all data accumulated during the experiment. We discuss the limitations and sensitivity of the method with respect to the gamma-ray detection efficiency and the accumulated flux. (C) 2010 Elsevier B.V. All rights reserved.

  13. Quantum Chemical and FTIR Spectroscopic Studies on the Linkage Isomerism of Carbon Monoxide in Alkali-Metal-Exchanged Zeolites: A Review of Current Research

    Directory of Open Access Journals (Sweden)

    E. Garrone

    2002-07-01

    Full Text Available Abstract: When adsorbed (at a low temperature on alkali-metal-exchanged zeolites, CO forms both M(CO+ and M(OC+ carbonyl species with the extra-framework alkali-metal cation of the zeolite. Both quantum chemical and experimental results show that C-bondend adducts are characterized by a C−O stretching IR band at a frequency higher than that of 2143 cm-1 for free CO, while for O-bonded adducts this IR band appears below 2143 cm-1. The cation-CO interaction energy is higher for M(CO+ than for M(OC+ carbonyls, although the corresponding difference decreases substantially when going from Li+ to Cs+. By means of variable-temperature FTIR spectroscopy, this energy difference was determined for several alkali-metal cations, and the existence of a thermal equilibrium between M(CO+ and M(OC+ species was established. The current state of research in this field is reviewed here, with a view to gain more insight into the thermal isomerization process.

  14. Photo-induced travelling waves in condensed Langmuir monolayers

    Energy Technology Data Exchange (ETDEWEB)

    Tabe, Y [Yokoyama Nano-Structured Liquid Crystal Project, ERATO, Japan Science and Technology Corporation, 5-9-9 Tokodai, Tsukuba, Ibaraki 300-2635, Japan (Japan); Yamamoto, T [Yokoyama Nano-Structured Liquid Crystal Project, ERATO, Japan Science and Technology Corporation, 5-9-9 Tokodai, Tsukuba, Ibaraki 300-2635, Japan (Japan); Yokoyama, H [Yokoyama Nano-Structured Liquid Crystal Project, ERATO, Japan Science and Technology Corporation, 5-9-9 Tokodai, Tsukuba, Ibaraki 300-2635, Japan (Japan)

    2003-06-01

    We report the detailed properties of photo-induced travelling waves in liquid crystalline Langmuir monolayers composed of azobenzene derivatives. When the monolayer, in which the constituent rodlike molecules are coherently tilted from the layer normal, is weakly illuminated to undergo the trans-cis photo-isomerization, spatio-temporal periodic oscillations of the molecular azimuth begin over the entire excited area and propagate as a two-dimensional orientational wave. The wave formation takes place only when the film is formed at an asymmetric interface with broken up-down symmetry and when the chromophores are continuously excited near the long-wavelength edge of absorption to induce repeated photo-isomerizations between the trans and cis forms. Under proper illumination conditions, Langmuir monolayers composed of a wide variety of azobenzene derivatives have been confirmed to exhibit similar travelling waves with velocity proportional to the excitation power irrespective of the degree of amphiphilicity. The dynamics can be qualitatively explained by the modified reaction-diffusion model proposed by Reigada, Sagues and Mikhailov.

  15. Combined effects of chemical reaction and temperature dependent heat source on MHD mixed convective flow of a couple-stress fluid in a vertical wavy porous space with travelling thermal waves

    Directory of Open Access Journals (Sweden)

    Muthuraj R.

    2012-01-01

    Full Text Available A mathematical model is developed to examine the effect of chemical reaction on MHD mixed convective heat and mass transfer flow of a couple-stress fluid in vertical porous space in the presence of temperature dependent heat source with travelling thermal waves. The dimensionless governing equations are assumed to be made up of two parts: a mean part corresponding to the fully developed mean flow, and a small perturbed part, using amplitude as a small parameter. The analytical solution of perturbed part have been carried out by using the long-wave approximation. The expressions for the zeroth-order and the first order solutions are obtained and the results of the heat and mass transfer characteristics are presented graphically for various values of parameters entering into the problem. It is noted that velocity of the fluid increases with the increase of the couple stress parameter and increasing the chemical reaction parameter leads suppress the velocity of the fluid. Cross velocity decreases with an increase of the phase angle. The increase of the chemical reaction parameter and Schmidt number lead to decrease the fluid concentration. The hydrodynamic case for a non-porous space in the absence of the temperature dependent heat source for Newtonian fluid can be captured as a limiting case of our analysis by taking, and α1→0, Da→∞, a→∞.

  16. Photo-isomerization induced rapid photo-degradation of optical nonlinearity in cyano substituted stilbene derivative doped poled polymer

    International Nuclear Information System (INIS)

    Yan Jieyun; Liu Liying; Ji Liyong; Ye Mingxin; Xu Lei; Wang Wencheng

    2004-01-01

    We found that, although alpha'-cyano-4'-nitro-4-N, N-dimethylaminostilbene has larger hyperpolarizability than that of conventional 4'-N, N-dimethylamino-nitrostilbene, the addition of the cyano group makes it much more easy to photo-isomerize, thus destroying the molecular ordering in poled chromophore doped polymers. Experimental evidence was obtained by monitoring the second-harmonic generation intensity, UV-Vis absorption spectrum, and FTIR spectrum. The photo-isomerization reaction process was monitored by optical pump induced absorption anisotropy measurement. Comparisons with the behaviour of a azobenzene dye are also made

  17. Modulating the Physical and Electronic Properties over Positional Isomerism: The Dispirofluorene-Dihydroindacenodithiophene (DSF-IDT) Family.

    Science.gov (United States)

    Peltier, Jean-David; Heinrich, Benoît; Donnio, Bertrand; Jeannin, Olivier; Rault-Berthelot, Joëlle; Poriel, Cyril

    2017-12-06

    We report the first studies on the intrinsic properties of a meta-substituted dihydroindacenodithienyl fragment and more generally the strong impact of positional isomerism on dihydroindacenodithiophene derivatives. The influence of the para and meta linkages has notably been highlighted not only for the electronic properties in solution (electrochemical properties, anodic polymerization, HOMO/LUMO energy levels, optical transitions, fluorescence spectra) but also on the physical properties in the solid state (molecular organization, crystallinity, and phase transitions). The positional isomerism hence appears to be a very efficient tool to drastically tune the properties of dihydroindacenodithiophene derivatives. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Isomeric cross-section ratios of some (n,2n) reactions at 14. 7 MeV

    Energy Technology Data Exchange (ETDEWEB)

    Garg, K C; Khurana, C S [Punjabi Univ., Patiala (India). Nuclear Science Labs.

    1979-08-01

    Isomeric cross-section ratios of (n,2n) reactions at 14.7 MeV leading to the millisecond isomeric levels have been calculated theoretically using the statistical theory of nuclear reactions and the spin distribution form due to Bethe and Bloch. The theoretical ratios have been compared with the experimentally measured values in order to evaluate the spin cut-off parameter sigma. This parameter has been used to calculate the effective moment of inertia of the nucleus to draw useful conclusions from the results of present calculations.

  19. First observation of high spin states and isomeric decay in 210Fr

    International Nuclear Information System (INIS)

    Kanjilal, D.; Saha, S.; Bhattacharya, S.; Goswami, A.; Kshetri, R.; Raut, R.; Muralithar, S.; Singh, R. P.; Mukherjee, G.; Mukherjee, B.

    2011-01-01

    The first observation of the prompt and the delayed γ transitions involving the high spin states in 210 Fr is reported. The decay of the high spin states and the isomeric levels of 210 Fr, identified for the first time from the known sequence of low-lying transitions found earlier in the α decay of 214 Ac, were studied. High spin states of the doubly-odd 210 Fr, which were produced by the fusion evaporation reaction 197 Au ( 16 O, xn) 213-x Fr, were populated and the subsequent emitted γ rays were detected through the high-sensitivity germanium clover detector array INGA. The level scheme up to yrast levels of 5.3 MeV excitation energy and ∼20(ℎ/2π) angular momentum could be established for the first time through γγ, γγΔT coincidence, and DCO ratio measurements. A new low-lying isomeric transition at E γ = 203(2) keV was observed. The half-life was measured to be T 1/2 = 41(2) ns. The measured half-life was compared with the corresponding single-particle estimate, based on the level scheme obtained from the experiment.

  20. 1,2-Fluorine Radical Rearrangements: Isomerization Events in Perfluorinated Radicals.

    Science.gov (United States)

    Van Hoomissen, Daniel J; Vyas, Shubham

    2017-11-16

    Devising effective degradation technologies for perfluoroalkyl substances (PFASs) is an active area of research, where the molecular mechanisms involving both oxidative and reductive pathways are still elusive. One commonly neglected pathway in PFAS degradation is fluorine atom migration in perfluoroalkyl radicals, which was largely assumed to be implausible because of the high C-F bond strength. Using density functional theory calculations, it was demonstrated that 1,2-F atom migrations are thermodynamically favored when the fluorine atom migrated from a less branched carbon center to a more branched carbon center. Activation barriers for these rearrangements were within 19-29 kcal/mol, which are possible to easily overcome at elevated temperatures or in photochemically activated species in the gas or aqueous phase. It was also found that the activation barriers for the 1,2-F atom migration are lowered as much as by 10 kcal/mol when common oxidative degradation products such as HF assisted the rearrangements or if the resulting radical center was stabilized by vicinal π-bonds. Natural bond orbital analyses showed that fluorine moves as a radical in a noncharge-separated state. These findings add an important reaction to the existing knowledge of mechanisms for PFAS degradation and highlights the fact that 1,2-F atom shifts may be a small channel for isomerization of these compounds, but upon availability of mineralization products, this isomerization process could become more prominent.

  1. An Insight into Flotation Chemistry of Pyrite with Isomeric Xanthates: A Combined Experimental and Computational Study

    Directory of Open Access Journals (Sweden)

    Guihong Han

    2018-04-01

    Full Text Available The flotation chemistry between pyrite and isomeric xanthates (butyl xanthate and isobutyl xanthate was investigated by means of adsorption experiments, surface tension tests, and molecular dynamic simulations in this work. The flotation chemical results were confirmed and further interpreted by quantum chemical calculations. The experiment results demonstrated that the isobutyl xanthate exhibited superior adsorption capacity and surface activity than those of butyl xanthate in flotation chemistry. In addition, molecular dynamic simulations were simultaneously performed in constant number, constant volume and temperature (NVT, and constant number, constant volume, and pressure (NPT ensemble, indicating that the NPT ensemble was more suitable to the flotation system and the isobutyl xanthate was easier to be adsorbed on pyrite surface compared with butyl xanthate during an appropriate range of concentrations. Furthermore, the quantum chemical calculations elucidated that the isobutyl xanthate presented higher reactivity than that of the corresponding butyl xanthate based on the frontier molecular orbital theory of chemical reactivity, which was consistent with experimental and simulation results obtained. This work can provide theoretical guidance for an in-depth study of the flotation chemistry of pyrite with isomeric xanthates.

  2. In vitro metabolism of nitric oxide-donating aspirin: the effect of positional isomerism.

    Science.gov (United States)

    Gao, Jianjun; Kashfi, Khosrow; Rigas, Basil

    2005-03-01

    NO-donating aspirin (NO-ASA) is a potentially important chemopreventive agent against cancer. Since positional isomerism affects strongly its potency in inhibiting colon cancer cell growth, we studied the metabolic transformations of its ortho-, meta-, and para-isomers in rat liver and colon cytosolic, microsomal, and mitochondrial fractions as well as in intact HT-29 human colon cancer cells. NO-ASA and metabolites were determined by high-performance liquid chromatography and products identified by mass spectroscopy, as required. For all three isomers, the acetyl group on the ASA moiety was hydrolyzed rapidly. This was followed by hydrolysis of the ester bond linking the salicylate anion to the spacer. The ortho- and para-isomers produced salicylic acid and a putative intermediate consisting of the remainder of the molecule, which via a rapid step generated nitrate, (hydroxymethyl)phenol, and a conjugate of spacer with glutathione. The meta-isomer, in contrast, generated salicylic acid and (nitroxymethyl)phenol, the latter leading to (hydroxymethyl)phenol and the glutathione-spacer conjugate. This metabolic pathway takes place in its entirety only in the cytosolic fraction of the tissues tested and in intact human colon cancer cells, perhaps reflecting exposure to the cytosolic glutathione S-transferase, which catalyzes the formation of the spacer-glutathione conjugate. Thus, the three positional isomers of NO-ASA differ in their metabolism and these differences correlate with their differential effects on cancer cell growth, underscoring the importance of positional isomerism in modulating drug effects.

  3. Toward spectroscopically accurate global ab initio potential energy surface for the acetylene-vinylidene isomerization

    Science.gov (United States)

    Han, Huixian; Li, Anyang; Guo, Hua

    2014-12-01

    A new full-dimensional global potential energy surface (PES) for the acetylene-vinylidene isomerization on the ground (S0) electronic state has been constructed by fitting ˜37 000 high-level ab initio points using the permutation invariant polynomial-neural network method with a root mean square error of 9.54 cm-1. The geometries and harmonic vibrational frequencies of acetylene, vinylidene, and all other stationary points (two distinct transition states and one secondary minimum in between) have been determined on this PES. Furthermore, acetylene vibrational energy levels have been calculated using the Lanczos algorithm with an exact (J = 0) Hamiltonian. The vibrational energies up to 12 700 cm-1 above the zero-point energy are in excellent agreement with the experimentally derived effective Hamiltonians, suggesting that the PES is approaching spectroscopic accuracy. In addition, analyses of the wavefunctions confirm the experimentally observed emergence of the local bending and counter-rotational modes in the highly excited bending vibrational states. The reproduction of the experimentally derived effective Hamiltonians for highly excited bending states signals the coming of age for the ab initio based PES, which can now be trusted for studying the isomerization reaction.

  4. Toward spectroscopically accurate global ab initio potential energy surface for the acetylene-vinylidene isomerization

    International Nuclear Information System (INIS)

    Han, Huixian; Li, Anyang; Guo, Hua

    2014-01-01

    A new full-dimensional global potential energy surface (PES) for the acetylene-vinylidene isomerization on the ground (S 0 ) electronic state has been constructed by fitting ∼37 000 high-level ab initio points using the permutation invariant polynomial-neural network method with a root mean square error of 9.54 cm −1 . The geometries and harmonic vibrational frequencies of acetylene, vinylidene, and all other stationary points (two distinct transition states and one secondary minimum in between) have been determined on this PES. Furthermore, acetylene vibrational energy levels have been calculated using the Lanczos algorithm with an exact (J = 0) Hamiltonian. The vibrational energies up to 12 700 cm −1 above the zero-point energy are in excellent agreement with the experimentally derived effective Hamiltonians, suggesting that the PES is approaching spectroscopic accuracy. In addition, analyses of the wavefunctions confirm the experimentally observed emergence of the local bending and counter-rotational modes in the highly excited bending vibrational states. The reproduction of the experimentally derived effective Hamiltonians for highly excited bending states signals the coming of age for the ab initio based PES, which can now be trusted for studying the isomerization reaction

  5. Material Balance And Reaction Kinetics Modeling For Penex Isomerization Process In Daura Refinery

    Directory of Open Access Journals (Sweden)

    Hamadi Adel Sharif

    2017-01-01

    Full Text Available Penex Deisohexanizer isomerization of light straight run naphtha is a significant process for petroleum refining and proved to be effective technology to produce gasoline components with a high octane number. Modeling of the chemical kinetic reactions is an important tool because it is a better tool for optimization of the experimental data into parameters used for industrial reactors. The present study deals on the isomerization process in Daura refinery. Material balance calculations were done mathematically on the unit for the kinetics prediction purpose. A kinetic mathematical model was derived for the prediction rate constants K1 and K2 and activation energy Ea at operating temperatures range 120-180°C. According to the model, the results show that with increasing of temperature leads to increased K1 directly, where the K2 values proportional inversely. The activation energy results show that Ea1(nC6

  6. Silver complexation and tandem mass spectrometry for differentiation of isomeric flavonoid diglycosides.

    Science.gov (United States)

    Zhang, Junmei; Brodbelt, Jennifer S

    2005-03-15

    For detection and differentiation of isomeric flavonoids, electrospray ionization mass spectrometry is used to generate silver complexes of the type (Ag + flavonoid)+. Collisionally activated dissociation (CAD) of the resulting 1:1 silver/flavonoid complexes allows isomer differentiation of flavonoids. Eighteen flavonoid diglycosides constituting seven isomeric series are distinguishable from each other based on the CAD patterns of their silver complexes. Characteristic dissociation pathways allow identification of the site of glycosylation, the type of disaccharide (rutinose versus neohesperidose), and the type of aglycon (flavonol versus flavone versus flavanone). This silver complexation method is more universal than previous metal complexation methods, as intense silver complexes are observed even for flavonoids that lack the typical metal chelation sites. To demonstrate the feasibility of using silver complexation and tandem mass spectrometry to characterize flavonoids in complex mixtures, flavonoids extracted from grapefruit juice are separated by high-performance liquid chromatography and analyzed via a postcolumn complexation ESI-MS/MS strategy. Diagnostic fragmentation pathways of the silver complexes of the individual eluting flavonoids allow successful identification of the six flavonoids in the extract.

  7. Isotopic study on mechanism for skeletal isomerization of n-butane over solid acids

    International Nuclear Information System (INIS)

    Suzuki, Tetsuo; Okuhara, Toshio

    2000-01-01

    Reaction mechanism for skeletal isomerization of n-butane over typical strong solid acids were investigated by using 1,4- 13 C 2 -n-butane. We used FI MASS for the analysis of 13 C distribution to get the parent pattern. 13 C-distribution of isobutane formed at 423 K over SO 3 2- /ZrO 2 (SZ) and Cs 2.5 H 0.5 PW 12 O 40 (Cs2.5) were close to binomial distributions, indicating that the isomerization proceeded mainly via a bimolecular mechanism on these catalysts. On the other hand, at 523 K over Cs2.5, the isotopic distribution pattern in isobutane was quite different from the binomial one; the fraction of 13 C 2 -isobutane was much greater than the binomial distribution. This result demonstrates that an intramolecular (monomolecular) rearrangement became significant at 523 K over Cs2.5. The contribution of monomolecular pathway was higher on Cs2.5 than on SZ. We presumed that the contribution of mechanism is related to the acidic property and the dehydrogenation ability of the catalyst. (S.Y.)

  8. Isomeric signatures in the fragmentation of pyridazine and pyrimidine induced by fast ion impact

    Energy Technology Data Exchange (ETDEWEB)

    Wolff, Wania, E-mail: wania@if.ufrj.br; Luna, Hugo; Montenegro, Eduardo C. [Instituto de Física, Universidade Federal do Rio de Janeiro, 21941-972 Rio de Janeiro, RJ (Brazil)

    2015-07-28

    We present fast proton impact induced fragmentations of pyrimidine and pyridazine as an experimental resource to investigate isomeric signatures. Major isomeric imprints are identified for few fragment ions and differences of more than an order of magnitude for the cross sections of fragments of the same mass were measured. The observation of the molecular structure of these isomers gives no apparent indication for the reasons for such substantial differences. It is verified that the simple displacement of the position of one nitrogen atom strongly inhibits or favors the production of some ionic fragment species. The dependency of the fragmentation cross sections on the proton impact energy, investigated by means of time of flight mass spectroscopy and of a model calculation based in first order perturbation theory, allows us to disentangle the complex collision dynamics of the ionic fragments. The proton-induced fragmentation discriminates rather directly the association between a molecular orbital ionization and the fragment-ions creation and abundance, as well as how the redistribution of the energy imparted to the molecules takes place, triggering not only single but also double vacancy and leads to specific fragmentation pathways.

  9. Thermodynamic calculation of simultaneous reactions of n-butane isomerization and isobutane alkylation with ethylene

    Energy Technology Data Exchange (ETDEWEB)

    Batyrshin, N.N.; Beresneva, L.D.; Sidorov, V.A.

    1981-08-01

    Industrial production of ethylene alkylate has gained further development in connection with worldwide ecological problems and the planned changeover of automobile transport to unleaded gasolines, but the scale of production is still substantially less than that of sulfuric acid or hydrogen fluoride alkylates. This is due both to the instability of market prices for ethylene and the shortage of isobutane - a raw material for these large-tonnage production processes and for the synthetic rubber industry. The latter difficulty can be overcome by combining processes of isomerization of n-butane and alkylation of the resultant isobutane with ethylene in a single reaction unit. The possibility of combining these reactions using AlCl/sub 3/-based catalysts has been pointed out previously but in the literature there are no theoretical developments of technology or thermodynamic substantiation of a combined process. We have made a thermodynamic calculation of the consecutive (series-parallel) reactions of isomerization and alkylation with the goal of determining suitable technological conditions for carrying them out simultaneously and establishing the expected equilibrium yields of target products and the compositions of the reaction mixture.

  10. Undamped electrostatic plasma waves

    Energy Technology Data Exchange (ETDEWEB)

    Valentini, F.; Perrone, D.; Veltri, P. [Dipartimento di Fisica and CNISM, Universita della Calabria, 87036 Rende (CS) (Italy); Califano, F.; Pegoraro, F. [Dipartimento di Fisica and CNISM, Universita di Pisa, 56127 Pisa (Italy); Morrison, P. J. [Institute for Fusion Studies and Department of Physics, University of Texas at Austin, Austin, Texas 78712-1060 (United States); O' Neil, T. M. [Department of Physics, University of California at San Diego, La Jolla, California 92093 (United States)

    2012-09-15

    Electrostatic waves in a collision-free unmagnetized plasma of electrons with fixed ions are investigated for electron equilibrium velocity distribution functions that deviate slightly from Maxwellian. Of interest are undamped waves that are the small amplitude limit of nonlinear excitations, such as electron acoustic waves (EAWs). A deviation consisting of a small plateau, a region with zero velocity derivative over a width that is a very small fraction of the electron thermal speed, is shown to give rise to new undamped modes, which here are named corner modes. The presence of the plateau turns off Landau damping and allows oscillations with phase speeds within the plateau. These undamped waves are obtained in a wide region of the (k,{omega}{sub R}) plane ({omega}{sub R} being the real part of the wave frequency and k the wavenumber), away from the well-known 'thumb curve' for Langmuir waves and EAWs based on the Maxwellian. Results of nonlinear Vlasov-Poisson simulations that corroborate the existence of these modes are described. It is also shown that deviations caused by fattening the tail of the distribution shift roots off of the thumb curve toward lower k-values and chopping the tail shifts them toward higher k-values. In addition, a rule of thumb is obtained for assessing how the existence of a plateau shifts roots off of the thumb curve. Suggestions are made for interpreting experimental observations of electrostatic waves, such as recent ones in nonneutral plasmas.

  11. Undamped electrostatic plasma waves

    International Nuclear Information System (INIS)

    Valentini, F.; Perrone, D.; Veltri, P.; Califano, F.; Pegoraro, F.; Morrison, P. J.; O'Neil, T. M.

    2012-01-01

    Electrostatic waves in a collision-free unmagnetized plasma of electrons with fixed ions are investigated for electron equilibrium velocity distribution functions that deviate slightly from Maxwellian. Of interest are undamped waves that are the small amplitude limit of nonlinear excitations, such as electron acoustic waves (EAWs). A deviation consisting of a small plateau, a region with zero velocity derivative over a width that is a very small fraction of the electron thermal speed, is shown to give rise to new undamped modes, which here are named corner modes. The presence of the plateau turns off Landau damping and allows oscillations with phase speeds within the plateau. These undamped waves are obtained in a wide region of the (k,ω R ) plane (ω R being the real part of the wave frequency and k the wavenumber), away from the well-known “thumb curve” for Langmuir waves and EAWs based on the Maxwellian. Results of nonlinear Vlasov-Poisson simulations that corroborate the existence of these modes are described. It is also shown that deviations caused by fattening the tail of the distribution shift roots off of the thumb curve toward lower k-values and chopping the tail shifts them toward higher k-values. In addition, a rule of thumb is obtained for assessing how the existence of a plateau shifts roots off of the thumb curve. Suggestions are made for interpreting experimental observations of electrostatic waves, such as recent ones in nonneutral plasmas.

  12. Transfer functions of laminar premixed flames subjected to forcing by acoustic waves, AC electric fields, and non-thermal plasma discharges

    KAUST Repository

    Lacoste, Deanna; Xiong, Yuan; Moeck, Jonas P.; Chung, Suk-Ho; Roberts, William L.; Cha, Min

    2016-01-01

    The responses of laminar methane-air flames to forcing by acoustic waves, AC electric fields, and nanosecond repetitively pulsed (NRP) glow discharges are reported here. The experimental setup consists of an axisymmetric burner with a nozzle made from a quartz tube. Three different flame geometries have been studied: conical, M-shaped and V-shaped flames. A central stainless steel rod is used as a cathode for the electric field and plasma excitations. The acoustic forcing is obtained with a loudspeaker located at the bottom part of the burner. For forcing by AC electric fields, a metallic grid is placed above the rod and connected to an AC power supply. Plasma forcing is obtained by applying high-voltage pulses of 10-ns duration applied at 10 kHz, between the rod and an annular stainless steel ring, placed at the outlet of the quartz tube. The chemiluminescence of CH is used to determine the heat release rate fluctuations. For forcing by acoustic waves and plasma, the geometry of the flame plays a key role in the response of the combustion, while the flame shape does not affect the response of the combustion to electric field forcing. The flame response to acoustic forcing of about 10% of the incoming flow is similar to those obtained in the literature. The flames are found to be responsive to an AC electric field across the whole range of frequencies studied. A forcing mechanism, based on the generation of ionic wind, is proposed. The gain of the transfer function obtained for plasma forcing is found to be up to 5 times higher than for acoustic forcing. A possible mechanism of plasma forcing is introduced.

  13. Transfer functions of laminar premixed flames subjected to forcing by acoustic waves, AC electric fields, and non-thermal plasma discharges

    KAUST Repository

    Lacoste, Deanna

    2016-06-23

    The responses of laminar methane-air flames to forcing by acoustic waves, AC electric fields, and nanosecond repetitively pulsed (NRP) glow discharges are reported here. The experimental setup consists of an axisymmetric burner with a nozzle made from a quartz tube. Three different flame geometries have been studied: conical, M-shaped and V-shaped flames. A central stainless steel rod is used as a cathode for the electric field and plasma excitations. The acoustic forcing is obtained with a loudspeaker located at the bottom part of the burner. For forcing by AC electric fields, a metallic grid is placed above the rod and connected to an AC power supply. Plasma forcing is obtained by applying high-voltage pulses of 10-ns duration applied at 10 kHz, between the rod and an annular stainless steel ring, placed at the outlet of the quartz tube. The chemiluminescence of CH is used to determine the heat release rate fluctuations. For forcing by acoustic waves and plasma, the geometry of the flame plays a key role in the response of the combustion, while the flame shape does not affect the response of the combustion to electric field forcing. The flame response to acoustic forcing of about 10% of the incoming flow is similar to those obtained in the literature. The flames are found to be responsive to an AC electric field across the whole range of frequencies studied. A forcing mechanism, based on the generation of ionic wind, is proposed. The gain of the transfer function obtained for plasma forcing is found to be up to 5 times higher than for acoustic forcing. A possible mechanism of plasma forcing is introduced.

  14. Plasma waves

    CERN Document Server

    Swanson, DG

    1989-01-01

    Plasma Waves discusses the basic development and equations for the many aspects of plasma waves. The book is organized into two major parts, examining both linear and nonlinear plasma waves in the eight chapters it encompasses. After briefly discussing the properties and applications of plasma wave, the book goes on examining the wave types in a cold, magnetized plasma and the general forms of the dispersion relation that characterize the waves and label the various types of solutions. Chapters 3 and 4 analyze the acoustic phenomena through the fluid model of plasma and the kinetic effects. Th

  15. ULF waves in the foreshock

    Science.gov (United States)

    Greenstadt, E. W.; Le, G.; Strangeway, R. J.

    1995-01-01

    We review our current knowledge of ULF waves in planetary foreshocks. Most of this knowledge comes from observations taken within a few Earth radii of the terrestrial bow shock. Terrestrial foreshock ULF waves can be divided into three types, large amplitude low frequency waves (approximately 30-s period), upstream propagating whistlers (1-Hz waves), and 3-s waves. The 30-s waves are apparently generated by back-streaming ion beams, while the 1-Hz waves are generated at the bow shock. The source of the 3-s waves has yet to be determined. In addition to issues concerning the source of ULF waves in the foreshock, the waves present a number of challenges, both in terms of data acquisition, and comparison with theory. The various waves have different coherence scales, from approximately 100 km to approximately 1 Earth radius. Thus multi-spacecraft separation strategies must be tailored to the phenomenon of interest. From a theoretical point of view, the ULF waves are observed in a plasma in which the thermal pressure is comparable to the magnetic pressure, and the rest-frame wave frequency can be moderate fraction of the proton gyro-frequency. This requires the use of kinetic plasma wave dispersion relations, rather than multi-fluid MHD. Lastly, and perhaps most significantly, ULF waves are used to probe the ambient plasma, with inferences being drawn concerning the types of energetic ion distributions within the foreshock. However, since most of the data were acquired close to the bow shock, the properties of the more distant foreshock have to be deduced mainly through extrapolation of the near-shock results. A general understanding of the wave and plasma populations within the foreshock, their interrelation, and evolution, requires additional data from the more distant foreshock.

  16. Analytical solution of transient temperature in continuous wave end-pumped laser slab: Reduction of temperature distribution and time of thermal response

    Directory of Open Access Journals (Sweden)

    Shibib Khalid S.

    2017-01-01

    Full Text Available An analytical solution of transient 3-D heat equation based on integral transform method is derived. The result are compared with numerical solution, and good agreements are obtained. Minimization of response time and temperature distribution through a laser slab are tested. It is found that the increasing in the lateral convection heat transfer coefficient can significantly reduce the response time and the temperature distribution while no effect on response time is observed when changing pumping profile from Gaussian to top hat beam in spite of the latter reduce the temperature distribution, also it is found that dividing the pumping power between two slab ends might reduce the temperature distribution and it has no effect on thermal response time.

  17. Isomeric and high-spin states of 94Tc and the search for yrast isomers near Napprox.50

    International Nuclear Information System (INIS)

    Lee, I.Y.; Johnson, N.R.; McGowan, F.K.; Young, G.R.; Guidry, M.W.; Yates, S.W.

    1981-01-01

    A search for isomers in the Napprox.50 region has produced no evidence of high-spin yrast isomerism. A new 4.5-ns low-multiplicity isomer has been identified and assigned to 94 Tc, while the yrast sequence of 94 Tc has been established to more than 5 MeV in excitation energy

  18. Synthesis of Heterocycles through a Ruthenium‐Catalyzed Tandem Ring‐Closing Metathesis/Isomerization/N‐Acyliminium Cyclization Sequence

    DEFF Research Database (Denmark)

    Ascic, Erhad; Jensen, Jakob Feldthusen; Nielsen, Thomas Eiland

    2011-01-01

    Tandem bicycle: In the title reaction double bonds created during ring-closing metathesis isomerize to generate reactive iminium intermediates that undergo intramolecular cyclization reactions with tethered heteroatom and carbon nucleophiles. In this way, a series of biologically interesting hete...... heterocyclic compounds can be made, including a known precursor for the total synthesis of the antiparasitic natural product harmicine....

  19. Ruthenium Stilbenyl and Diruthenium Distyrylethene Complexes: Aspects of Electron Delocalization and Electrocatalyzed Isomerization of the Z-Isomer

    Czech Academy of Sciences Publication Activity Database

    Linseis, M.; Záliš, Stanislav; Zabel, M.; Winter, R. F.

    2012-01-01

    Roč. 134, č. 40 (2012), s. 16671-16692 ISSN 0002-7863 R&D Projects: GA MŠk LD11086 Institutional support: RVO:61388955 Keywords : CIS-TRANS-ISOMERIZATION * MIXED-VALENCE COMPOUNDS * VIBRATIONAL TIME -SCALE Subject RIV: CG - Electrochemistry Impact factor: 10.677, year: 2012

  20. Valence isomerization of 2-phospha-4-silabicyclo[1.1.0]butane: a high-level ab initio study

    NARCIS (Netherlands)

    Slootweg, J.C.; Ehlers, A.W.; Lammertsma, K.

    2006-01-01

    The rearrangements for 2-phospha-4-silabicyclo[1.1.0]butane, analogous to the valence isomerization of the hydrocarbons bicyclobutane, 1,3-butadiene, and cyclobutene, were studied at the (U)QCISD(T)/ 6-311+G**//(U)QCISD/6-31G* level of theory. The monocyclic 1,2-dihydro-1,2-phosphasiletes are shown

  1. Measurements of 14-MeV neutron cross-sections for the production of isomeric states in hafnium isotopes

    International Nuclear Information System (INIS)

    Patrick, B.H.; Sowerby, M.G.; Wilkins, C.G.; Russen, L.C.

    1990-01-01

    The cross sections for the production of isomeric states in the reactions 179 Hf(n,2n) 178m2 Hf, 180 Hf(n,2n) 179m2 Hf, 179 Hf(n,n') 179m2 Hf with 14 MeV neutrons have been measured and compared with the theoretical ones. 4 refs, 3 figs, 4 tabs

  2. Anion-assisted trans-cis isomerization of palladium(II) phosphine complexes containing acetanilide functionalities through hydrogen bonding interactions.

    Science.gov (United States)

    Lu, Xiao-Xia; Tang, Hau-San; Ko, Chi-Chiu; Wong, Jenny Ka-Yan; Zhu, Nianyong; Yam, Vivian Wing-Wah

    2005-03-28

    The anion-assisted shift of trans-cis isomerization equilibrium of a palladium(II) complex containing acetanilide functionalities brought about by allosteric hydrogen bonding interactions has been established by UV/Vis, 1H NMR, 31P NMR and ESI-MS studies.

  3. Investigation of the interaction between isomeric derivatives and human serum albumin by fluorescence spectroscopy and molecular modeling

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Ruiyong, E-mail: wangry@zzu.edu.cn; Dou, Huanjing; Yin, Yujing; Xie, Yuanzhe; Sun, Li; Liu, Chunmei; Dong, Jingjing; Huang, Gang; Zhu, Yanyan; Song, Chuanjun, E-mail: chjsong@zzu.edu.cn; Chang, Junbiao, E-mail: changjunbiao@zzu.edu.cn

    2014-10-15

    In this paper, we have synthesized 9H-pyrrolo[1,2-a]indol-9-ones and the isomeric indeno[2,1-b]pyrrol-8-ones. The interactions of human serum albumin with series of isomeric derivatives have been studied by spectrophotometric methods. Results show the intrinsic fluorescence is quenched by the derivatives with a static quenching procedure. The thermodynamics parameters indicate that van der Waals forces and hydrogen bonds play a major role in the interactions. The results of synchronous fluorescence spectra demonstrate that the microenvironments of Trp residue of human serum albumin are disturbed by most derivatives. Thermodynamic results showed that the 9H-pyrrolo[1,2-a]indol-9-ones are stronger quenchers and bind to human serum albumin with the higher affinity than isomeric indeno[2,1-b]pyrrol-8-ones. The influence of molecular structure on the binding aspects has been investigated. - Highlights: • The interactions between isomeric derivatives and HSA have been investigated. • Results reveal that 9H-pyrrolo[1,2-a]indol-9-ones are stronger quenchers for HSA. • Hydrogen bonds and van der Waals forces play major role in the binding process. • The influence of molecular structure on the binding aspects has been investigated. • The binding study was also modeled by molecular docking.

  4. Investigation of the interaction between isomeric derivatives and human serum albumin by fluorescence spectroscopy and molecular modeling

    International Nuclear Information System (INIS)

    Wang, Ruiyong; Dou, Huanjing; Yin, Yujing; Xie, Yuanzhe; Sun, Li; Liu, Chunmei; Dong, Jingjing; Huang, Gang; Zhu, Yanyan; Song, Chuanjun; Chang, Junbiao

    2014-01-01

    In this paper, we have synthesized 9H-pyrrolo[1,2-a]indol-9-ones and the isomeric indeno[2,1-b]pyrrol-8-ones. The interactions of human serum albumin with series of isomeric derivatives have been studied by spectrophotometric methods. Results show the intrinsic fluorescence is quenched by the derivatives with a static quenching procedure. The thermodynamics parameters indicate that van der Waals forces and hydrogen bonds play a major role in the interactions. The results of synchronous fluorescence spectra demonstrate that the microenvironments of Trp residue of human serum albumin are disturbed by most derivatives. Thermodynamic results showed that the 9H-pyrrolo[1,2-a]indol-9-ones are stronger quenchers and bind to human serum albumin with the higher affinity than isomeric indeno[2,1-b]pyrrol-8-ones. The influence of molecular structure on the binding aspects has been investigated. - Highlights: • The interactions between isomeric derivatives and HSA have been investigated. • Results reveal that 9H-pyrrolo[1,2-a]indol-9-ones are stronger quenchers for HSA. • Hydrogen bonds and van der Waals forces play major role in the binding process. • The influence of molecular structure on the binding aspects has been investigated. • The binding study was also modeled by molecular docking

  5. Nitrite-reductase and peroxynitrite isomerization activities of Methanosarcina acetivorans protoglobin.

    Directory of Open Access Journals (Sweden)

    Paolo Ascenzi

    Full Text Available Within the globin superfamily, protoglobins (Pgb belong phylogenetically to the same cluster of two-domain globin-coupled sensors and single-domain sensor globins. Multiple functional roles have been postulated for Methanosarcina acetivorans Pgb (Ma-Pgb, since the detoxification of reactive nitrogen and oxygen species might co-exist with enzymatic activity(ies to facilitate the conversion of CO to methane. Here, the nitrite-reductase and peroxynitrite isomerization activities of the CysE20Ser mutant of Ma-Pgb (Ma-Pgb* are reported and analyzed in parallel with those of related heme-proteins. Kinetics of nitrite-reductase activity of ferrous Ma-Pgb* (Ma-Pgb*-Fe(II is biphasic and values of the second-order rate constant for the reduction of NO2- to NO and the concomitant formation of nitrosylated Ma-Pgb*-Fe(II (Ma-Pgb*-Fe(II-NO are k(app1= 9.6 ± 0.2 M(-1 s(-1 and k(app2 = 1.2 ± 0.1 M(-1 s(-1 (at pH 7.4 and 20 °C. The k(app1 and k(app2 values increase by about one order of magnitude for each pH unit decrease, between pH 8.3 and 6.2, indicating that the reaction requires one proton. On the other hand, kinetics of peroxynitrite isomerization catalyzed by ferric Ma-Pgb* (Ma-Pgb*-Fe(III is monophasic and values of the second order rate constant for peroxynitrite isomerization by Ma-Pgb*-Fe(III and of the first order rate constant for the spontaneous conversion of peroxynitrite to nitrate are h(app = 3.8 × 10(4 M(-1 s(-1 and h0 = 2.8 × 10(-1 s(-1 (at pH 7.4 and 20 °C. The pH-dependence of hon and h0 values reflects the acid-base equilibrium of peroxynitrite (pKa = 6.7 and 6.9, respectively; at 20 °C, indicating that HOONO is the species that reacts preferentially with the heme-Fe(III atom. These results highlight the potential role of Pgbs in the biosynthesis and scavenging of reactive nitrogen and oxygen species.

  6. Lattice NRQCD study of S- and P-wave bottomonium states in a thermal medium with Nf=2 +1 light flavors

    Science.gov (United States)

    Kim, Seyong; Petreczky, Peter; Rothkopf, Alexander

    2015-03-01

    We investigate the properties of S - and P -wave bottomonium states in the vicinity of the deconfinement transition temperature. The light degrees of freedom are represented by dynamical lattice quantum chromodynamics (QCD) configurations of the HotQCD collaboration with Nf=2 +1 flavors. Bottomonium correlators are obtained from bottom quark propagators, computed in nonrelativistic QCD under the background of these gauge field configurations. The spectral functions for the 3S1 (ϒ ) and 3P1 (χb 1) channel are extracted from the Euclidean time correlators using a novel Bayesian approach in the temperature region 140 MeV ≤T ≤249 MeV and the results are contrasted to those from the standard maximum entropy method. We find that the new Bayesian approach is far superior to the maximum entropy method. It enables us to study reliably the presence or absence of the lowest state signal in the spectral function of a certain channel, even under the limitations present in the finite temperature setup. We find that χb 1 survives up to T =249 MeV , the highest temperature considered in our study, and put stringent constraints on the size of the medium modification of ϒ and χb 1 states.

  7. Heat Waves

    Science.gov (United States)

    Heat Waves Dangers we face during periods of very high temperatures include: Heat cramps: These are muscular pains and spasms due ... that the body is having trouble with the heat. If a heat wave is predicted or happening… - ...

  8. Wave Star

    DEFF Research Database (Denmark)

    Kramer, Morten; Brorsen, Michael; Frigaard, Peter

    Denne rapport beskriver numeriske beregninger af forskellige flydergeometrier for bølgeenergianlæget Wave Star.......Denne rapport beskriver numeriske beregninger af forskellige flydergeometrier for bølgeenergianlæget Wave Star....

  9. Gravitational Waves

    Energy Technology Data Exchange (ETDEWEB)

    Miller, Jonah Maxwell [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2017-10-18

    This report has slides on Gravitational Waves; Pound and Rebka: A Shocking Fact; Light is a Ruler; Gravity is the Curvature of Spacetime; Gravitational Waves Made Simple; How a Gravitational Wave Affects Stuff Here; LIGO; This Detection: Neutron Stars; What the Gravitational Wave Looks Like; The Sound of Merging Neutron Stars; Neutron Star Mergers: More than GWs; The Radioactive Cloud; The Kilonova; and finally Summary, Multimessenger Astronomy.

  10. Wave phenomena

    CERN Document Server

    Towne, Dudley H

    1988-01-01

    This excellent undergraduate-level text emphasizes optics and acoustics, covering inductive derivation of the equation for transverse waves on a string, acoustic plane waves, boundary-value problems, polarization, three-dimensional waves and more. With numerous problems (solutions for about half). ""The material is superbly chosen and brilliantly written"" - Physics Today. Problems. Appendices.

  11. Electromagnetic Waves

    DEFF Research Database (Denmark)

    This book is dedicated to various aspects of electromagnetic wave theory and its applications in science and technology. The covered topics include the fundamental physics of electromagnetic waves, theory of electromagnetic wave propagation and scattering, methods of computational analysis......, material characterization, electromagnetic properties of plasma, analysis and applications of periodic structures and waveguide components, etc....

  12. Wave Dragon

    DEFF Research Database (Denmark)

    Kofoed, Jens Peter; Frigaard, Peter; Sørensen, H. C.

    1998-01-01

    This paper concerns with the development of the wave energy converter (WEC) Wave Dragon. This WEC is based on the overtopping principle. An overview of the performed research done concerning the Wave Dragon over the past years is given, and the results of one of the more comprehensive studies, co...

  13. Promotion of selective pathways in isomerizing functionalization of plant oils by rigid framework substituents

    KAUST Repository

    Christl, Josefine T.

    2014-10-14

    The 1,2-(CH2P(1-adamantyl)2)2C6H4 (dadpx) coordinated palladium complex [(dadpx)Pd(OTf)2] (1) is a catalyst precursor for the isomerizing methoxycarbonylation of the internal double bond of methyl oleate, with an unprecedented selectivity (96%) for the linear diester 1,19-dimethyl nonadecanedioate. Rapid formation of the catalytically active solvent-coordinated hydride species [(dadpx)PdH(MeOH)]+ (3-MeOH) is evidenced by NMR spectroscopy, and further isolation and X-ray crystal structure analysis of [(dadpx)PdH(PPh3)]+ (3-PPh3). DFT calculations of key steps of the catalytic cycle unravel methanolysis as the decisive step for enhanced selectivity and the influence of the rigid adamantyl framework on this step by destabilization of transition states of unselective pathways.

  14. Characterization of Isomeric Glycans by Reversed Phase Liquid Chromatography-Electronic Excitation Dissociation Tandem Mass Spectrometry

    Science.gov (United States)

    Tang, Yang; Wei, Juan; Costello, Catherine E.; Lin, Cheng

    2018-04-01

    The occurrence of numerous structural isomers in glycans from biological sources presents a severe challenge for structural glycomics. The subtle differences among isomeric structures demand analytical methods that can provide structural details while working efficiently with on-line glycan separation methods. Although liquid chromatography-tandem mass spectrometry (LC-MS/MS) is a powerful tool for mixture analysis, the commonly utilized collision-induced dissociation (CID) method often does not generate a sufficient number of fragments at the MS2 level for comprehensive structural characterization. Here, we studied the electronic excitation dissociation (EED) behaviors of metal-adducted, permethylated glycans, and identified key spectral features that could facilitate both topology and linkage determinations. We developed an EED-based, nanoscale, reversed phase (RP)LC-MS/MS platform, and demonstrated its ability to achieve complete structural elucidation of up to five structural isomers in a single LC-MS/MS analysis. [Figure not available: see fulltext.

  15. Antifungal activity and isomerization of octadecyl p-coumarates from Ipomoea carnea subsp. fistulosa.

    Science.gov (United States)

    Nidiry, Eugene Sebastian J; Ganeshan, Girija; Lokesha, Ankanahalli N

    2011-12-01

    Bioassay monitored HPLC assisted isolation and purification of the chief antifungal fraction of the leaves of Ipomoea carnea subsp. fistulosa (Convulvulaceae) were achieved using Colletotrichum gloeosporioides and Cladosporium cucumerinum as test organisms. The activity of the purified fraction was further confirmed by the dose dependent inhibition of the spore germination of Alternaria alternata and A. porri. The active fraction was identified as a mixture of (E)-octadecyl p-coumarate and (Z)-octadecyl p-coumarate. The two isomers were detected on an HPLC column with substantially different retention times, but once eluted from the column, one form was partly converted to the other in daylight. Conclusive evidence for the structures and their isomerization were obtained from the HPLC behavior, IR, UV, HRESIMS, CIMS and and NMR spectral data. Important 1H NMR and 13C NMR signals could be separately assigned for the isomers using 2D NMR techniques.

  16. Analysis of carboxylate coordination function of the isomeric lanthanide pyridinedicarboxylates by means of vibration spectroscopy

    International Nuclear Information System (INIS)

    Puntus, L.; Zolin, V.; Kudryashova, V.

    2004-01-01

    The investigation of IR spectra of salts of six isomers of pyridinedicarboxylic acid (PDA): 2,3-, 2,4-, 2,5-, 2,6-, 3,4- and 3,5-pyridinedicarboxylic acids, have demonstrated that properties of these salts are dependent on the bonding manner of carboxylate groups and on coordination of heterocyclic nitrogen atom. The most prominent differences in properties and spectra of 2,6- and 3,4-PDA salts are conditioned correspondingly by monodentate and bidentate coordination functions of the carboxylate groups in these compounds. The correlation of the breathing vibration frequency, reflecting the rigidity of the heterocyclic ring, with position of the carboxylate substituents, conditioning intramolecular charge transfer (CT), was postulated and proved by shifts of the breathing vibration frequency dependent on the structure of isomeric ligand

  17. Isomerization of butene-1 on rare earth oxides. [Rare earths: La, Nd, Dy

    Energy Technology Data Exchange (ETDEWEB)

    Khodakov, Yu S; Nesterov, V K; Minachev, Kh M [AN SSSR, Moscow. Inst. Organicheskoj Khimii

    1975-09-01

    A study has been made into the isomerization of butene-1 on oxides of rare-earth elements. The dependence of the reaction rate at 20/sup 0/C on the baking temperature of La and Nd oxides have the maximum at 700/sup 0/C. A decrease in the activity of these oxides after bakinq at 800/sup 0/C is observed, as well as during experiments at -30 deq C. In the case of Dy/sub 2/O/sub 3/, the activity at 20/sup 0/C increases gradually with Tsub(bak)=500 to 800/sup 0/C Zeolite 0.57LaNaY exhibits maximum activity at Tsub(bak)=500/sup 0/C Similar data as to the effect of the baking temperature on the catalyst activity were obtained earlier for hydrogenation of ethylene. According to their maximum activity, oxides of rare-earth elements, in the isomerization as well as hydrogenation reactions, can be arranged as follows: La/sub 2/O/sub 3/>Nd/sub 2/O/sub 3/

  18. High-Pressure Limit Rate Rules for α-H Isomerization of Hydroperoxyalkylperoxy Radicals

    KAUST Repository

    Mohamed, Samah Y

    2018-03-09

    Hydroperoxyalkylperoxy (OOQOOH) radical isomerization is an important low-temperature chain branching reaction within the mechanism of hydrocarbon oxidation. This isomerization may proceed via the migration of the α-hydrogen to the hydroperoxide group. In this work, a combination of high level composite methods - CBS-QB3, G3 and G4 - is used to determine the high-pressure-limit rate parameters for the title reaction. Rate rules for H-migration reactions proceeding through 5-, 6-, 7- and 8-membered ring transitions states are determined. Migrations from primary, secondary and tertiary carbon sites to the peroxy group are considered. Chirality is also investigated by considering two diastereomers for reactants and transition states with two chiral centers. This is important since chirality may influence the energy barrier of the reaction as well as the rotational energy barriers of hindered rotors in chemical species and transition states. The effect of chirality and hydrogen bonding interactions in the investigated energies and rate constants is studied. The results show that while the energy difference between two diastereomers ranges from 0.1 - 3.2 kcal, chirality hardly affects the kinetics, except at low temperatures (atmospheric conditions) or when two chiral centers are present in the reactant. Regarding the effects of the peroxy group position and the H-migration ring size, it is found that in most cases, the 1,5 and 1,6 H-migration reactions have similar rates at low temperatures (below ~830K) since the 1,6 H-migration proceeds via a cyclohexane-like transition state similar to that of the 1,5 H-migration.

  19. Interaction of slow neutrons with the second isomeric level Kπ=16+ of the 178Hf isotope

    International Nuclear Information System (INIS)

    Pangault, Laurence

    1999-01-01

    In this work, we study the interaction of low energy neutrons (E≤ 10 eV) with the second isomeric level of 178 Hf (l π =K π =16 + , T 1/2 =31 y) in (n,γ) reactions which proceed through the formation of a compound nucleus. The radiative decay of high K states in 179 Hf is investigated using an isomeric I π =16 + 178 Hf target, 40 ng in weight. The first experiment, performed at the high flux reactor in the Laue Langevin Institute in Grenoble, consisted in γ-ray spectroscopy measurements. For this purpose, an experimental set-up has been built. lt consists of four large Ge detectors shielded against background using a specific F 6 Li collimations ensemble. The second experiments performed at the Fakel (Kurchatov lnstitute, Moscow) and Gelina (IRMM Geel, Belgium) linear accelerators consisted in the investigation of neutron resonances in the 178 Hf m2 (n,γ) reaction using time of flight technique and their γ-decay paths. A high efficiency spectrometer has been built and used for the measurements at bath sites. Two resonances located at 1.82 eV and 0.75 eV have been observed and unambiguously assigned to the (n+ 178 Hf m2 ) compound system. The γ-decay properties of these resonances are very different. Furthermore, the γ-decay path followed by the 0.75 eV resonance is at odd with that expected form statistical model predictions. (author) [fr

  20. Topological anisotropy of stone-wales waves in graphenic fragments.

    Science.gov (United States)

    Ori, Ottorino; Cataldo, Franco; Putz, Mihai V

    2011-01-01

    Stone-Wales operators interchange four adjacent hexagons with two pentagon-heptagon 5|7 pairs that, graphically, may be iteratively propagated in the graphene layer, originating a new interesting structural defect called here Stone-Wales wave. By minimization, the Wiener index topological invariant evidences a marked anisotropy of the Stone-Wales defects that, topologically, are in fact preferably generated and propagated along the diagonal of the graphenic fragments, including carbon nanotubes and graphene nanoribbons. This peculiar edge-effect is shown in this paper having a predominant topological origin, leaving to future experimental investigations the task of verifying the occurrence in nature of wave-like defects similar to the ones proposed here. Graph-theoretical tools used in this paper for the generation and the propagation of the Stone-Wales defects waves are applicable to investigate isomeric modifications of chemical structures with various dimensionality like fullerenes, nanotubes, graphenic layers, schwarzites, zeolites.

  1. Microwave Thermal Propulsion

    Science.gov (United States)

    Parkin, Kevin L. G.; Lambot, Thomas

    2017-01-01

    We have conducted research in microwave thermal propulsion as part of the space exploration access technologies (SEAT) research program, a cooperative agreement (NNX09AF52A) between NASA and Carnegie Mellon University. The SEAT program commenced on the 19th of February 2009 and concluded on the 30th of September 2015. The DARPA/NASA Millimeter-wave Thermal Launch System (MTLS) project subsumed the SEAT program from May 2012 to March 2014 and one of us (Parkin) served as its principal investigator and chief engineer. The MTLS project had no final report of its own, so we have included the MTLS work in this report and incorporate its conclusions here. In the six years from 2009 until 2015 there has been significant progress in millimeter-wave thermal rocketry (a subset of microwave thermal rocketry), most of which has been made under the auspices of the SEAT and MTLS programs. This final report is intended for multiple audiences. For researchers, we present techniques that we have developed to simplify and quantify the performance of thermal rockets and their constituent technologies. For program managers, we detail the facilities that we have built and the outcomes of experiments that were conducted using them. We also include incomplete and unfruitful lines of research. For decision-makers, we introduce the millimeter-wave thermal rocket in historical context. Considering the economic significance of space launch, we present a brief but significant cost-benefit analysis, for the first time showing that there is a compelling economic case for replacing conventional rockets with millimeter-wave thermal rockets.

  2. Filamentation instability of lower hybrid waves in a plasma

    International Nuclear Information System (INIS)

    Kaw, P.K.

    1976-02-01

    It is shown that a strong lower hybrid wave is modulationally unstable to perturbations propagating along its own wave vector. The instability relies critically on the finite thermal corrections to the lower hybrid dispersion relation

  3. Calcium waves.

    Science.gov (United States)

    Jaffe, Lionel F

    2008-04-12

    Waves through living systems are best characterized by their speeds at 20 degrees C. These speeds vary from those of calcium action potentials to those of ultraslow ones which move at 1-10 and/or 10-20 nm s(-1). All such waves are known or inferred to be calcium waves. The two classes of calcium waves which include ones with important morphogenetic effects are slow waves that move at 0.2-2 microm s(-1) and ultraslow ones. Both may be propagated by cycles in which the entry of calcium through the plasma membrane induces subsurface contraction. This contraction opens nearby stretch-sensitive calcium channels. Calcium entry through these channels propagates the calcium wave. Many slow waves are seen as waves of indentation. Some are considered to act via cellular peristalsis; for example, those which seem to drive the germ plasm to the vegetal pole of the Xenopus egg. Other good examples of morphogenetic slow waves are ones through fertilizing maize eggs, through developing barnacle eggs and through axolotl embryos during neural induction. Good examples of ultraslow morphogenetic waves are ones during inversion in developing Volvox embryos and across developing Drosophila eye discs. Morphogenetic waves may be best pursued by imaging their calcium with aequorins.

  4. Wave turbulence

    Energy Technology Data Exchange (ETDEWEB)

    Nazarenko, Sergey [Warwick Univ., Coventry (United Kingdom). Mathematics Inst.

    2011-07-01

    Wave Turbulence refers to the statistical theory of weakly nonlinear dispersive waves. There is a wide and growing spectrum of physical applications, ranging from sea waves, to plasma waves, to superfluid turbulence, to nonlinear optics and Bose-Einstein condensates. Beyond the fundamentals the book thus also covers new developments such as the interaction of random waves with coherent structures (vortices, solitons, wave breaks), inverse cascades leading to condensation and the transitions between weak and strong turbulence, turbulence intermittency as well as finite system size effects, such as ''frozen'' turbulence, discrete wave resonances and avalanche-type energy cascades. This book is an outgrow of several lectures courses held by the author and, as a result, written and structured rather as a graduate text than a monograph, with many exercises and solutions offered along the way. The present compact description primarily addresses students and non-specialist researchers wishing to enter and work in this field. (orig.)

  5. Cardiopulmonary Exercise Testing in Fontan Patients With and Without Isomerism (Heterotaxy) as Compared to Patients With Primary Ciliary Dyskinesia and Subjects With Structurally Normal Hearts

    DEFF Research Database (Denmark)

    Loomba, Rohit S; Danduran, Michael; Nielsen, Kim G

    2017-01-01

    with and without isomerism. We have now compared these finding with those from patients with primary ciliary dyskinesia, as many patients with isomerism have ciliary dyskinesia. We identified patients having the Fontan circulation with and without isomerism who had undergone cardiopulmonary exercise testing......, comparing the findings from healthy individuals undergoing exercise, and a comparable number of individuals with primary ciliary dyskinesia but no congenital heart disease. We were able to include a total of 68 patients in our study, with 17 in each of the four groups. Cardiopulmonary exercise testing...

  6. Thermal Stability of Rhodopsin and Progression of Retinitis Pigmentosa

    Science.gov (United States)

    Liu, Monica Yun; Liu, Jian; Mehrotra, Devi; Liu, Yuting; Guo, Ying; Baldera-Aguayo, Pedro A.; Mooney, Victoria L.; Nour, Adel M.; Yan, Elsa C. Y.

    2013-01-01

    Over 100 point mutations in the rhodopsin gene have been associated with retinitis pigmentosa (RP), a family of inherited visual disorders. Among these, we focused on characterizing the S186W mutation. We compared the thermal properties of the S186W mutant with another RP-causing mutant, D190N, and with WT rhodopsin. To assess thermal stability, we measured the rate of two thermal reactions contributing to the thermal decay of rhodopsin as follows: thermal isomerization of 11-cis-retinal and hydrolysis of the protonated Schiff base linkage between the 11-cis-retinal chromophore and opsin protein. We used UV-visible spectroscopy and HPLC to examine the kinetics of these reactions at 37 and 55 °C for WT and mutant rhodopsin purified from HEK293 cells. Compared with WT rhodopsin and the D190N mutant, the S186W mutation dramatically increases the rates of both thermal isomerization and dark state hydrolysis of the Schiff base by 1–2 orders of magnitude. The results suggest that the S186W mutant thermally destabilizes rhodopsin by disrupting a hydrogen bond network at the receptor's active site. The decrease in the thermal stability of dark state rhodopsin is likely to be associated with higher levels of dark noise that undermine the sensitivity of rhodopsin, potentially accounting for night blindness in the early stages of RP. Further studies of the thermal stability of additional pathogenic rhodopsin mutations in conjunction with clinical studies are expected to provide insight into the molecular mechanism of RP and test the correlation between rhodopsin's thermal stability and RP progression in patients. PMID:23625926

  7. Compartmental and noncompartmental modeling of ¹³C-lycopene absorption, isomerization, and distribution kinetics in healthy adults.

    Science.gov (United States)

    Moran, Nancy E; Cichon, Morgan J; Riedl, Kenneth M; Grainger, Elizabeth M; Schwartz, Steven J; Novotny, Janet A; Erdman, John W; Clinton, Steven K

    2015-12-01

    Lycopene, which is a red carotenoid in tomatoes, has been hypothesized to mediate disease-preventive effects associated with tomato consumption. Lycopene is consumed primarily as the all-trans geometric isomer in foods, whereas human plasma and tissues show greater proportions of cis isomers. With the use of compartmental modeling and stable isotope technology, we determined whether endogenous all-trans-to-cis-lycopene isomerization or isomeric-bioavailability differences underlie the greater proportion of lycopene cis isomers in human tissues than in tomato foods. Healthy men (n = 4) and women (n = 4) consumed (13)C-lycopene (10.2 mg; 82% all-trans and 18% cis), and plasma was collected over 28 d. Unlabeled and (13)C-labeled total lycopene and lycopene-isomer plasma concentrations, which were measured with the use of high-performance liquid chromatography-mass spectrometry, were fit to a 7-compartment model. Subjects absorbed a mean ± SEM of 23% ± 6% of the lycopene. The proportion of plasma cis-(13)C-lycopene isomers increased over time, and all-trans had a shorter half-life than that of cis isomers (5.3 ± 0.3 and 8.8 ± 0.6 d, respectively; P lycopene bioavailability and endogenous trans-to-cis-lycopene isomerization was predictive of plasma (13)C and unlabeled cis- and all-trans-lycopene concentrations. Although the bioavailability of cis (24.5% ± 6%) and all-trans (23.2% ± 8%) isomers did not differ, endogenous isomerization (0.97 ± 0.25 μmol/d in the fast-turnover tissue lycopene pool) drove tissue and plasma isomeric profiles. (13)C-Lycopene combined with physiologic compartmental modeling provides a strategy for following complex in vivo metabolic processes in humans and reveals that postabsorptive trans-to-cis-lycopene isomerization, and not the differential bioavailability of isomers, drives tissue and plasma enrichment of cis-lycopene. This trial was registered at clinicaltrials.gov as NCT01692340. © 2015 American Society for Nutrition.

  8. Compartmental and noncompartmental modeling of 13C-lycopene absorption, isomerization, and distribution kinetics in healthy adults123

    Science.gov (United States)

    Moran, Nancy E; Cichon, Morgan J; Riedl, Kenneth M; Grainger, Elizabeth M; Schwartz, Steven J; Novotny, Janet A; Erdman, John W; Clinton, Steven K

    2015-01-01

    Background: Lycopene, which is a red carotenoid in tomatoes, has been hypothesized to mediate disease-preventive effects associated with tomato consumption. Lycopene is consumed primarily as the all-trans geometric isomer in foods, whereas human plasma and tissues show greater proportions of cis isomers. Objective: With the use of compartmental modeling and stable isotope technology, we determined whether endogenous all-trans-to-cis-lycopene isomerization or isomeric-bioavailability differences underlie the greater proportion of lycopene cis isomers in human tissues than in tomato foods. Design: Healthy men (n = 4) and women (n = 4) consumed 13C-lycopene (10.2 mg; 82% all-trans and 18% cis), and plasma was collected over 28 d. Unlabeled and 13C-labeled total lycopene and lycopene-isomer plasma concentrations, which were measured with the use of high-performance liquid chromatography–mass spectrometry, were fit to a 7-compartment model. Results: Subjects absorbed a mean ± SEM of 23% ± 6% of the lycopene. The proportion of plasma cis-13C-lycopene isomers increased over time, and all-trans had a shorter half-life than that of cis isomers (5.3 ± 0.3 and 8.8 ± 0.6 d, respectively; P lycopene bioavailability and endogenous trans-to-cis-lycopene isomerization was predictive of plasma 13C and unlabeled cis- and all-trans-lycopene concentrations. Although the bioavailability of cis (24.5% ± 6%) and all-trans (23.2% ± 8%) isomers did not differ, endogenous isomerization (0.97 ± 0.25 μmol/d in the fast-turnover tissue lycopene pool) drove tissue and plasma isomeric profiles. Conclusion: 13C-Lycopene combined with physiologic compartmental modeling provides a strategy for following complex in vivo metabolic processes in humans and reveals that postabsorptive trans-to-cis-lycopene isomerization, and not the differential bioavailability of isomers, drives tissue and plasma enrichment of cis-lycopene. This trial was registered at clinicaltrials.gov as NCT01692340. PMID

  9. Gravitation Waves

    CERN Multimedia

    CERN. Geneva

    2005-01-01

    We will present a brief introduction to the physics of gravitational waves and their properties. We will review potential astrophysical sources of gravitational waves, and the physics and astrophysics that can be learned from their study. We will survey the techniques and technologies for detecting gravitational waves for the first time, including bar detectors and broadband interferometers, and give a brief status report on the international search effort, with special emphasis on the LIGO detectors and search results.

  10. Is HO3 minimum cis or trans? An analytic full-dimensional ab initio isomerization path.

    Science.gov (United States)

    Varandas, A J C

    2011-05-28

    The minimum energy path for isomerization of HO(3) has been explored in detail using accurate high-level ab initio methods and techniques for extrapolation to the complete basis set limit. In agreement with other reports, the best estimates from both valence-only and all-electron single-reference methods here utilized predict the minimum of the cis-HO(3) isomer to be deeper than the trans-HO(3) one. They also show that the energy varies by less than 1 kcal mol(-1) or so over the full isomerization path. A similar result is found from valence-only multireference configuration interaction calculations with the size-extensive Davidson correction and a correlation consistent triple-zeta basis, which predict the energy difference between the two isomers to be of only Δ = -0.1 kcal mol(-1). However, single-point multireference calculations carried out at the optimum triple-zeta geometry with basis sets of the correlation consistent family but cardinal numbers up to X = 6 lead upon a dual-level extrapolation to the complete basis set limit of Δ = (0.12 ± 0.05) kcal mol(-1). In turn, extrapolations with the all-electron single-reference coupled-cluster method including the perturbative triples correction yield values of Δ = -0.19 and -0.03 kcal mol(-1) when done from triple-quadruple and quadruple-quintuple zeta pairs with two basis sets of increasing quality, namely cc-cpVXZ and aug-cc-pVXZ. Yet, if added a value of 0.25 kcal mol(-1) that accounts for the effect of triple and perturbative quadruple excitations with the VTZ basis set, one obtains a coupled cluster estimate of Δ = (0.14 ± 0.08) kcal mol(-1). It is then shown for the first time from systematic ab initio calculations that the trans-HO(3) isomer is more stable than the cis one, in agreement with the available experimental evidence. Inclusion of the best reported zero-point energy difference (0.382 kcal mol(-1)) from multireference configuration interaction calculations enhances further the relative

  11. Production cross sections and isomeric ratios for sup(110m)In/sup(110g)In formed in Cd (d,xn) reactions

    International Nuclear Information System (INIS)

    Herreros Usher, Oscar; Maceiras de Jefimowicz, Elena; De la Vega Vedoya, Mario; Jorge Nassiff, Sonia

    1980-01-01

    Excitation functions and isomeric cross sections ratios have been measured for the 110 Cd (d,2n) and 111 Cd (d,3n) reactions in which the isomeric pair sup(110m)In/sup(110g)In is produced. Activation method was employed and the irradiations were performed at the synchrocyclotron of the Comision Nacional de Energia Atomica, Argentina, with an incident energy of 27.MeV. (author) [es

  12. Investigating the large deformation of the 5 /2+ isomeric state in 73Zn: An indicator for triaxiality

    Science.gov (United States)

    Yang, X. F.; Tsunoda, Y.; Babcock, C.; Billowes, J.; Bissell, M. L.; Blaum, K.; Cheal, B.; Flanagan, K. T.; Garcia Ruiz, R. F.; Gins, W.; Gorges, C.; Grob, L. K.; Heylen, H.; Kaufmann, S.; Kowalska, M.; Krämer, J.; Malbrunot-Ettenauer, S.; Neugart, R.; Neyens, G.; Nörtershäuser, W.; Otsuka, T.; Papuga, J.; Sánchez, R.; Wraith, C.; Xie, L.; Yordanov, D. T.

    2018-04-01

    Recently reported nuclear spins and moments of neutron-rich Zn isotopes measured at ISOLDE-CERN [C. Wraith et al., Phys. Lett. B 771, 385 (2017), 10.1016/j.physletb.2017.05.085] show an uncommon behavior of the isomeric state in 73Zn. Additional details relating to the measurement and analysis of the Znm73 hyperfine structure are addressed here to further support its spin-parity assignment 5 /2+ and to estimate its half-life. A systematic investigation of this 5 /2+ isomer indicates that significant collectivity appears due to proton/neutron E 2 excitations across the proton Z = 28 and neutron N = 50 shell gaps. This is confirmed by the good agreement of the observed quadrupole moments with large scale Monte Carlo shell model calculations. In addition, potential energy surface calculations in combination with T plots reveal a triaxial shape for this isomeric state.

  13. Retrieving molecular structural information and tracking HNC/HCN isomerization process with high harmonic generation by ultrashort laser pulses

    International Nuclear Information System (INIS)

    Nguyen Ngoc Ty; Le Van Hoang; Vu Ngoc Tuoc; Le Anh Thu

    2010-01-01

    We investigate the possibility of applying the iterative method, suggested in our previous work, for HCN molecule and its HNC isomer. We found that the high-order harmonic generation (HHG) spectra are quite insensitive to the change of H-C (or H-N) bond length so that only the inter-nuclear C-N distance can be retrieved from the high-order harmonic spectra using ultrashort intense lasers. Furthermore, by analyzing the HHG spectra emitted by HCN during the chemical reaction path of isomerization we identify the intensity peaks nearby the stable, metastable and transition states. this finding can be useful for tracking the HNC/HNC isomerization process. (author)

  14. Evidence for tunneling in base-catalyzed isomerization of glyceraldehyde to dihydroxyacetone by hydride shift under formose conditions.

    Science.gov (United States)

    Cheng, Liang; Doubleday, Charles; Breslow, Ronald

    2015-04-07

    Hydrogen atom transfer reactions between the aldose and ketose are key mechanistic features in formose chemistry by which formaldehyde is converted to higher sugars under credible prebiotic conditions. For one of these transformations, we have investigated whether hydrogen tunneling makes a significant contribution to the mechanism by examining the deuterium kinetic isotope effect associated with the hydrogen transfer during the isomerization of glyceraldehyde to the corresponding dihydroxyacetone. To do this, we developed a quantitative HPLC assay that allowed us to measure the apparent large intrinsic kinetic isotope effect. From the Arrhenius plot of the kinetic isotope effect, the ratio of the preexponential factors AH/AD was 0.28 and the difference in activation energies Ea(D) - Ea(H) was 9.1 kJ·mol(-1). All these results imply a significant quantum-mechanical tunneling component in the isomerization mechanism. This is supported by multidimensional tunneling calculations using POLYRATE with small curvature tunneling.

  15. Results of a Direct Search Using Synchrotron Radiation for the Low-Energy (229)Th Nuclear Isomeric Transition.

    Science.gov (United States)

    Jeet, Justin; Schneider, Christian; Sullivan, Scott T; Rellergert, Wade G; Mirzadeh, Saed; Cassanho, A; Jenssen, H P; Tkalya, Eugene V; Hudson, Eric R

    2015-06-26

    We report the results of a direct search for the (229)Th (I(π)=3/2(+)←5/2(+)) nuclear isomeric transition, performed by exposing (229)Th-doped LiSrAlF(6) crystals to tunable vacuum-ultraviolet synchrotron radiation and observing any resulting fluorescence. We also use existing nuclear physics data to establish a range of possible transition strengths for the isomeric transition. We find no evidence for the thorium nuclear transition between 7.3 eV and 8.8 eV with transition lifetime (1-2) s≲τ≲(2000-5600)  s. This measurement excludes roughly half of the favored transition search area and can be used to direct future searches.

  16. 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.

  17. Activation cross section and isomeric cross section ratios for the (n ,2 n ) reaction on 153Eu

    Science.gov (United States)

    Luo, Junhua; Jiang, Li; Li, Suyuan

    2017-10-01

    The 153Eu(n ,2 n ) m1,m2,g152Eu cross section was measured by means of the activation technique at three neutron energies in the range 13-15 MeV. The quasimonoenergetic neutron beam was formed via the 3H(d ,n ) 4He reaction, in the Pd-300 Neutron Generator at the Chinese Academy of Engineering Physics (CAEP). The activities induced in the reaction products were measured using high-resolution γ-ray spectroscopy. The cross section of the population of the second high-spin (8-) isomeric state was measured along with the reaction cross section populating both the ground (3-) and the first isomeric state (0-). Cross sections were also evaluated theoretically using the numerical code TALYS-1.8, with different level density options at neutron energies varying from the reaction threshold to 20 MeV. Results are discussed and compared with the corresponding literature.

  18. Thiyl radical-induced cis-trans-isomerization of arachidonic acid inhibits prostaglandin metabolism

    International Nuclear Information System (INIS)

    Kratzsch, S.; Droessler, K.; Sprinz, H.; Brede, O.

    2002-01-01

    Complete text of publication follows. Thiyl radicals radiolytically generated from thiophenol in methanolic solution are known to isomerise double bonds of poly-unsaturated fatty acids (PUFA). γ-irradiating of such a system containing all-cis 5,8,11,14 eicosatetraenoic acid (arachidonic acid, AA) with low doses (0.1-0.8 kGy) results in a mixture of 8 to 32% mono-trans-isomers. Here we report about the influence of mono-trans-AA on the primary steps of AA-metabolism and prostaglandin synthesis, catalysed by cyclooxygenase (COX). In the cell-free model system the reaction of COX-1 with AA was analysed by controlling the oxygen level during the enzymatic reaction. As an example, a mixture of a low quantity of mono-trans-isomerized AA (10%) and 90% all-cis-isomer exhibits a marked reduced oxygen consumption by 45%. As further proofs - the yield of reactive oxygen species (ROS) generated by the COX-coupled peroxidase reaction was detected, - and the COX-1 activity in presence of different amounts of trans-AA was characterized using a photometric assay based on the oxidation of TMPD. All these methods indicated semiquantitatively a reduced activity of COX-1, depending on the trans-isomer yield. Therefore, an inhibition of COX-1 activity by only one trans-double-bond in AA could be concluded. Furthermore, in vitro cell-line experiments were performed analysing the influence of mono-trans-isomerized AA on the activity of the cell-own COX-2. Hence, VD 3 -differentiated and LPS-stimulated monocyte-like cells were incubated with mono-trans-AA and ROS-production was detected by the chemiluminescence measurements mentioned above. Compared to the reaction with all-cis-AA we found a considerable lowered formation of ROS. Likewise, we obtained a reduced PGE 2 -expression between 15 and 40% for cells treated with 8 to 29% trans-AA. The model as well as in vivo experiments demonstrate an inhibition effect of mono-trans-AA and give rise for postulating an enzyme blocking mechanism

  19. Biosynthesis of monoterpenes: Stereochemistry of the coupled isomerization and cyclization of geranyl pyrophosphate to camphane and isocamphane monoterpenes

    International Nuclear Information System (INIS)

    Croteau, R.; Gershenzon, J.; Wheeler, C.J.; Satterwhite, D.M.

    1990-01-01

    The conversion of geranyl pyrophosphate to (+)-bornyl pyrophosphate and (+)-camphene is considered to proceed by the initial isomerization of the substrate to (-)-(3R)-linalyl pyrophosphate and the subsequent cyclization of this bound intermediate. In the case of (-)-bornyl pyrophosphate and (-)-camphene, isomerization of the substrate to the (+)-(3S)-linalyl intermediate precedes cyclization. The geranyl and linalyl precursors were shown to be mutually competitive substrates (inhibitors) of the relevant cyclization enzymes isolated from Salvia officinalis (sage) and Tanacetum vulgare (tansy) by the mixed substrate analysis method, demonstrating that isomerization and cyclization take place at the same active site. Incubation of partially purified enzyme preparations with (3R)-[1Z-3H]linalyl pyrophosphate plus [1-14C]geranyl pyrophosphate gave rise to double-labeled (+)-bornyl pyrophosphate and (+)-camphene, whereas incubation of enzyme preparations catalyzing the antipodal cyclizations with (3S)-[1Z-3H]-linalyl pyrophosphate plus [1-14C]geranyl pyrophosphate yielded double-labeled (-)-bornyl pyrophosphate and (-)-camphene. Each product was then transformed to the corresponding (+)- or (-)-camphor without change in the 3H:14C isotope ratio, and the location of the tritium label was deduced in each case by stereoselective, base-catalyzed exchange of the exo-alpha-hydrogen of the derived ketone. The finding that the 1Z-3H of the linalyl precursor was positioned at the endo-alpha-hydrogen of the corresponding camphor in all cases, coupled to the previously demonstrated retention of configuration at C1 of the geranyl substrate in these transformations, confirmed the syn-isomerization of geranyl pyrophosphate to linalyl pyrophosphate and the cyclization of the latter via the anti,endo- conformer

  20. Comparison of Separation of Seed Oil Triglycerides Containing Isomeric Conjugated Octadecatrienoic Acid Moieties by Reversed-Phase HPLC

    OpenAIRE

    Anh Van Nguyen; Victor Deineka; Lumila Deineka; Anh Vu Thi Ngoc

    2017-01-01

    Relative retention analysis and increment approach were applied for the comparison of triglycerides (TGs) retention of a broad set of plant seed oils with isomeric conjugated octadecatrienoic acids (CLnA) by reversed-phase HPLC for “propanol-2-acetonitrile” mobile phases and Kromasil 100-5C18 stationary phase with diode array detection (DAD) and mass spectrometric (MS) detection. The subjects of investigation were TGs of seed oils: Calendula officinalis, Catalpa ovata, Jacaranda mimosifolia, ...

  1. Stability constants of mixed ligand complexes of dioxouranium(II) and thorium(IV) with complexones and isomeric alanines

    International Nuclear Information System (INIS)

    Singh, R.K.; Saxena, M.C.

    1992-01-01

    The present work reports on the stability sequence between UO 2 II and Th IV ions for their mixed ligands complexes with the two isomeric alanines, α-alanine (α-ala) and β-alanine (β-ala) containing a complexone as primary ligand. The complexones used are iminodiacetate (IMDA), nitrilotricetate (NTA), 2-hydroxyethylenediaminetriacetate (HEDTA), ethylenediaminetetraacetate (EDTA), 1,2-diaminocyclohexanetraacetate (CDTA) and diethylenetriminepentaacetate (DTPA). (author). 9 refs., 1 tab

  2. Hydro-isomerization of n-hexane on bi-functional catalyst: Effect of total and hydrogen partial pressures

    Science.gov (United States)

    Thoa, Dao Thi Kim; Loc, Luu Cam

    2017-09-01

    The effect of both total pressure and hydrogen partial pressure during n-hexane hydro-isomerization over platinum impregnated on HZSM-5 was studied. n-Hexane hydro-isomerization was conducted at atmospheric pressure and 0.7 MPa to observe the influence of total pressure. In order to see the effect of hydrogen partial pressure, the reaction was taken place at different partial pressure of hydrogen varied from 307 hPa to 718 hPa by dilution with nitrogen to keep the total pressure at 0.1 MPa. Physico-chemical characteristics of catalyst were determined by the methods of nitrogen physi-sorption BET, SEM, XRD, TEM, NH3-TPD, TPR, and Hydrogen Pulse Chemi-sorption. Activity of catalyst in the hydro-isomerization of n-hexane was studied in a micro-flow reactor in the temperature range of 225-325 °C; the molar ratio H2/ hydrocarbon: 5.92, concentration of n-hexane: 9.2 mol.%, GHSV 2698 h-1. The obtained catalyst expressed high acid density, good reducing property, high metal dispersion, and good balance between metallic and acidic sites. It is excellent contact for n-hexane hydro-isomerization. At 250 °C, n-hexane conversion and selectivity were as high as 59-76 % and 85-99 %, respectively. It was found that catalytic activity was promoted either by total pressure or hydrogen partial pressure. At total pressure of 0.7 MPa while hydrogen partial pressure of 718 hPa, catalyst produced 63 RON liquid product containing friendly environmental iso-paraffins which is superior blending stock for green gasoline. Hydrogen did not only preserve catalyst actives by depressing hydrocracking and removing coke precursors but also facilitated hydride transfer step in the bi-functional bi-molecular mechanism.

  3. Plasma waves

    National Research Council Canada - National Science Library

    Swanson, D. G

    1989-01-01

    ... Swanson, D.G. (Donald Gary), D a t e - Plasma waves. Bibliography: p. Includes index. 1. Plasma waves. QC718.5.W3S43 1989 ISBN 0-12-678955-X I. Title. 530.4'4 88-34388 Printed in the United Sta...

  4. Wave Dragon

    DEFF Research Database (Denmark)

    Tedd, James; Kofoed, Jens Peter; Friis-Madsen, Erik

    2008-01-01

    Since March 2003 a prototype of Wave Dragon has been tested in an inland sea in Denmark. This has been a great success with all subsystems tested and improved through working in an offshore environment. The project has proved the Wave Dragon device and has enabled the next stage, a production sized...

  5. Wave Star

    DEFF Research Database (Denmark)

    Kramer, Morten; Brorsen, Michael; Frigaard, Peter

    Nærværende rapport beskriver numeriske beregninger af den hydrodynamiske interaktion mellem 5 flydere i bølgeenergianlægget Wave Star.......Nærværende rapport beskriver numeriske beregninger af den hydrodynamiske interaktion mellem 5 flydere i bølgeenergianlægget Wave Star....

  6. The introduction of hydrogen bond and hydrophobicity effects into the rotational isomeric states model for conformational analysis of unfolded peptides

    Science.gov (United States)

    Engin, Ozge; Sayar, Mehmet; Erman, Burak

    2009-03-01

    Relative contributions of local and non-local interactions to the unfolded conformations of peptides are examined by using the rotational isomeric states model which is a Markov model based on pairwise interactions of torsion angles. The isomeric states of a residue are well described by the Ramachandran map of backbone torsion angles. The statistical weight matrices for the states are determined by molecular dynamics simulations applied to monopeptides and dipeptides. Conformational properties of tripeptides formed from combinations of alanine, valine, tyrosine and tryptophan are investigated based on the Markov model. Comparison with molecular dynamics simulation results on these tripeptides identifies the sequence-distant long-range interactions that are missing in the Markov model. These are essentially the hydrogen bond and hydrophobic interactions that are obtained between the first and the third residue of a tripeptide. A systematic correction is proposed for incorporating these long-range interactions into the rotational isomeric states model. Preliminary results suggest that the Markov assumption can be improved significantly by renormalizing the statistical weight matrices to include the effects of the long-range correlations.

  7. The introduction of hydrogen bond and hydrophobicity effects into the rotational isomeric states model for conformational analysis of unfolded peptides

    International Nuclear Information System (INIS)

    Engin, Ozge; Sayar, Mehmet; Erman, Burak

    2009-01-01

    Relative contributions of local and non-local interactions to the unfolded conformations of peptides are examined by using the rotational isomeric states model which is a Markov model based on pairwise interactions of torsion angles. The isomeric states of a residue are well described by the Ramachandran map of backbone torsion angles. The statistical weight matrices for the states are determined by molecular dynamics simulations applied to monopeptides and dipeptides. Conformational properties of tripeptides formed from combinations of alanine, valine, tyrosine and tryptophan are investigated based on the Markov model. Comparison with molecular dynamics simulation results on these tripeptides identifies the sequence-distant long-range interactions that are missing in the Markov model. These are essentially the hydrogen bond and hydrophobic interactions that are obtained between the first and the third residue of a tripeptide. A systematic correction is proposed for incorporating these long-range interactions into the rotational isomeric states model. Preliminary results suggest that the Markov assumption can be improved significantly by renormalizing the statistical weight matrices to include the effects of the long-range correlations

  8. Specific racemization and isomerization of the aspartyl residue of αA-crystallin due to UV-B irradiation

    International Nuclear Information System (INIS)

    Fujii, Noriko; Momose, Yuko; Ishibasi, Yoshihiro; Uemura, Toshimasa; Takita, Masatoshi; Takehana, Makoto

    1997-01-01

    We have reported that the aspartyl (Asp)-151 residue in αA-crystallin in human eye lens was inverted to the D-isomer and isomerized to β-Asp residue with age. We report here that ultraviolet (UV)-B irradiation induces the racemization and isomerization of the Asp-151 residue of αA-crystallin from lenses of 6-week-old rats to form D-isomer and β-Asp residue. Simultaneous racemization and isomerization of the specific Asp residue indicate that the reaction proceeds via formation of a succinimide intermediate. This modification was not observed in UV-A irradiated and normal lenses. UV-B irradiation induced the racemization of only the Asp-151 residue and did not affect the other Asp residues in αA-crystallin. On the other hand, the high molecular weight fraction of the lens protein increased upon UV-B irradiation. Modification of the Asp residue would affect the three-dimensional packing array of the lens protein. (author)

  9. Isomeric ratios in photonuclear reactions of molybdenum isotopes induced by bremsstrahlung in the giant dipole resonance region

    International Nuclear Information System (INIS)

    Tran Duc Thiep; Truong Thi An; Phan Viet Cuong; Nguyen The Vinh; Bui Minh Hue; Belov, A.G.; Maslov, O.D.; Mishinsky, G.V.; Zhemenik, V.I.

    2017-01-01

    We have determined the isomeric ratios of isomeric pairs "9"7"m","gNb, "9"5"m","gNb and "9"1"m","gMo produced in "9"8Mo(γ, p)"9"7"m","gNb, "9"6Mo(γ, p)"9"5"m","gNb and "9"2Mo(γ, n)"9"1"m","gMo photonuclear reactions in the giant dipole resonance (GDR) region by the activation method. The results were analyzed, discussed and compared with the similar data from literature to examine the role of excitation energy, neutron configuration, channel effect, and direct and pre-equilibrium processes in (γ, p) photonuclear reactions. In this work the isomeric ratios for "9"7"m","gNb from 14 to 19 MeV, for "1"9"5"m","gNb from 14 to 24 MeV except 20 and 23.5 MeV and for "9"1"m","gMo at 14 and 15 MeV were first measured.

  10. Advances in gamma ray resonant scattering and absorption long-lived isomeric nuclear states

    CERN Document Server

    Davydov, Andrey V

    2015-01-01

    This book presents the basics and advanced topics of research of gamma ray physics. It describes measuring of  Fermi surfaces with gamma resonance spectroscopy and the theory of angular distributions of resonantly scattered gamma rays. The dependence of excited-nuclei average lifetime on the shape of the exciting-radiation spectrum and electron binding energies in the spectra of scattered gamma rays is described. Resonant excitation by gamma rays of nuclear isomeric states with long lifetime leads to the emission and absorption lines. In the book, a new gamma spectroscopic method, gravitational gamma spectrometry, is developed. It has a resolution hundred million times higher than the usual Mössbauer spectrometer. Another important topic of this book is resonant scattering of annihilation quanta by nuclei with excited states in connection with positron annihilation. The application of the methods described is to explain the phenomenon of Coulomb fragmentation of gamma-source molecules and resonant scatt...

  11. Ensemble of Transition State Structures for the Cis-Trans Isomerization of N-Methylacetamide

    Energy Technology Data Exchange (ETDEWEB)

    Mantz, Yves A. [National Energy Technology Lab. (NETL), Pittsburgh, PA, (United States); Branduardi, Davide [Italian Inst. of Technology, Genoa (Italy); Bussi, Giovanni [Univ. of Modena and Reggio Emilia and INFM-CNR (Italy); Parrinello, Michele [ETH Zurich, Lugano (Switzerland). Dept. of Chemistry and Applied Biosciences

    2009-09-17

    The cis-trans isomerization of N-methylacetamide (NMA), a model peptidic fragment, is studied theoretically in vacuo and in explicit water solvent at 300 K using the metadynamics technique. The computed cis-trans free energy difference is very similar for NMA(g) and NMA(aq), in agreement with experimental measurements of population ratios and theoretical studies at 0 K. By exploiting the flexibility in the definition of a pair of recently introduced collective variables (Branduardi, D.; Gervasio, F. L.; Parrinello, M. J. Chem. Phys. 2007, 126, 054103), an ensemble of transition state structures is generated at finite temperature for both NMA(g) and NMA(aq), as verified by computing committor distribution functions. Ensemble members of NMA(g) are shown to have correlated values of the backbone dihedral angle and a second dihedral angle involving the amide hydrogen atom. The dynamical character of these structures is preserved in the presence of solvent, whose influence on the committor functions can be modeled using effective friction/noise terms.

  12. A comparative cytotoxicity study of isomeric alkylphthalates to metabolically variant bacteria

    Energy Technology Data Exchange (ETDEWEB)

    Sandy, Edward H. [Key Laboratory of Biogeology and Environmental Geology Laboratory of Chinese Ministry of Education and School of Environmental Studies and Sino-Hungarian Joint Laboratory of Environmental Science and Health, China University of Geosciences, Wuhan 430074 (China); Chemistry Department, Fourah Bay College, University of Sierra Leone, Freetown (Sierra Leone); Yao Jun, E-mail: yaojun@cug.edu.cn [Key Laboratory of Biogeology and Environmental Geology Laboratory of Chinese Ministry of Education and School of Environmental Studies and Sino-Hungarian Joint Laboratory of Environmental Science and Health, China University of Geosciences, Wuhan 430074 (China); Zheng Shixue [State Key Laboratory of Agricultural Microbiology, College of Life Science and Technology, Huazhong Agricultural University, Wuhan 430070 (China); Gogra, Alhaji B.; Chen Huilun [Key Laboratory of Biogeology and Environmental Geology Laboratory of Chinese Ministry of Education and School of Environmental Studies and Sino-Hungarian Joint Laboratory of Environmental Science and Health, China University of Geosciences, Wuhan 430074 (China); Zheng Hui [State Key Laboratory of Agricultural Microbiology, College of Life Science and Technology, Huazhong Agricultural University, Wuhan 430070 (China); Yormah, Thomas B.R. [Chemistry Department, Fourah Bay College, University of Sierra Leone, Freetown (Sierra Leone); Zhang Xin [Yale School of Forestry and Environmental Studies, Yale University, 195 Prospect St., New Haven, CT 06511 (United States); Zaray, Gyula [Department of Chemical Technology and Environmental Chemistry, Eoetvoes University, H-1518 Budapest, P.O. Box 32 (Hungary); Ceccanti, Brunello [Institute of Ecosystem Studies (ISE)-Italian National Research Council (ICT-CNR) (Italy); Choi, Martin M.F., E-mail: mfchoi@hkbu.edu.hk [Department of Chemistry, Hong Kong Baptist University, 224 Waterloo Road, Kowloon Tong (Hong Kong)

    2010-10-15

    This work investigated the toxicity of two isomeric alkylphthalates, i.e., di-n-octyl phthalate (DOP) and di-2-ethylhexyl phthalate (DEHP) to two model bacteria, Escherichia coli (E. coli) and Bacillus subtilis (B. subtilis), which have been previously used to study the toxicity of environmental pollutants. Microcalorimetry was used as the key analytical tool alongside scanning electron microscopy (SEM) and traditional microbiology techniques. The thermokinetic parameters from microcalorimetry showed that the phthalates had a biphasic effect on the metabolic activities of the bacteria; serving as energy sources for the bacteria thereby stimulating their growth at low dosages ({<=}150 {mu}g/mL), but displaying inhibitory effects at higher dosages ({>=}300 {mu}g/mL), indicated by a sharp decrease in growth rate constants at 450 {mu}g/mL. The SEM revealed that the bacterial cells were morphological deformed, with shrunk cells and elongated strands at 600 {mu}g/mL of both phthalates. The elongated strands inferred that the phthalates inhibited the reproductive processes of the bacteria by possibly impeding some stages of cell division. The half inhibitory concentrations of the phthalates showed that DEHP was more toxic than DOP. Additionally, E. coli, a facultative anaerobe, was more susceptible to the toxic effects of phthalates than B. subtilis, an obligate aerobe capable of forming endospores crucial for tolerating extreme environmental conditions.

  13. Design Efficient and Ultralong Pure Organic Room-Temperature Phosphorescent Materials by Structural Isomerism.

    Science.gov (United States)

    Xiong, Yu; Zhao, Zheng; Zhao, Wei Jun; Ma, Hui Li; Peng, Qian; He, Zi Kai; Zhang, Xue Peng; Chen, Yun Cong; He, Xue Wen; Lam, Jacky; Tang, Ben Zhong

    2018-05-08

    Pure organic materials with ultralong room temperature phosphorescence (RTP) are attractive alternatives to inorganic phosphors. However, without heavy atoms and carbonyl or heteroatomic groups, they generally show inefficient intersystem crossing (ISC) due to the weak spin-orbit coupling (SOC). Many efforts have been made to enhance SOC but examples in realizing both efficient and ultralong RTP have been limited. Here we present a novel design principle based on the realization of small energy gap between the lowest singlet and triplet states (ΔEST) and pure ππ* configuration of the lowest triplet state (T1) via structural isomerism to obtain efficient and ultralong RTP materials. The meta-isomer of carbazole-substituted methyl benzoate exhibits an ultralong lifetime of 795.0 ms with a quantum yield of 2.1%, whose performance is among the best RTP materials reported so far. Study on the structure-property relationship demonstrates that the varied steric and conjugation effects imposed by ester substituent at different positions are responsible for the small ΔEST and pure ππ* configuration of T1. This rational design will open a new avenue for exploring novel pure organic RTP materials. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. The decay of 399 KeV isomeric state in 197Pt

    International Nuclear Information System (INIS)

    Soares, J.C.; Melo, A.A.; Gil, F.B.; Dias, H.

    1981-02-01

    The nuclear levels in 197 Pt have been studied from decay of 95.4 min 197 (sup m)Pt. The isomeric state was produced by (n,#betta#) reaction on the enriched 196 Pt. The #betta#-ray spectra have been observed with a hyperpure Ge detector and a large volume Ge(Li) detector. The half lives of the 399 KeV and the 53 KeV states were determined with improved precision. The results are: T1/2 (399 KeV) = 95.41 +- 0.18 min and T1/2(53 KeV) = 16.58 +- 0.17 ns. The g-factor of the 53 Kev 5/2 - state has been measured by the gamma-gamma time differential perturbed angular correlation (TDPAC) method in an external magnetic field of 25,1 kG using the 346 - 53 KeV gamma cascade. The value of g-factor was obtained to be + 0.335 +- 0.010. This result is compared with the known g-factors of the similar states in 195 Pt, and in 197 Hg and 199 Hg and also with the theoretical calculations based on the quasiparticle-phonon coupling scheme. Possibility of using the 346 - 53 KeV gamma cascade in 197 Pt in the future TDPAC studies is discussed. (Author) [pt

  15. Identification of levels above 6{sup -} isomeric state in {sup 66}Cu

    Energy Technology Data Exchange (ETDEWEB)

    Singh, Purnima; Palit, R.; Biswas, S.; Saha, S. [Tata Institute of Fundamental Research, Department of Nuclear and Atomic Physics, Mumbai (India); Choudhury, D. [Horia Hulubei National Institute for Physics and Nuclear Engineering, ELI-NP, Magurele (Romania); Srivastava, P.C. [Indian Institute of Technology Roorkee, Department of Physics, Roorkee (India); Sethi, J. [Tata Institute of Fundamental Research, Department of Nuclear and Atomic Physics, Mumbai (India); University of Maryland, Department of Chemistry and Biochemistry, College Park, MD (United States)

    2017-04-15

    Excited states in odd-odd {sup 66}Cu were investigated in a reaction between a 136 MeV {sup 30}Si beam and a {sup 65}Cu target with the Indian National Gamma Array. Six new transitions have been identified including four transitions feeding the 600 ns 6{sup -} isomeric state from an investigation of prompt-prompt and prompt-delayed coincidence events. The results of the present work have extended the level structure of this nucleus up to I{sup π} = (9{sup -}). In addition, new information on the set of πp{sub 3/2}νg{sub 9/2} multiplets in this nucleus have been added. Shell model calculations were performed within the fpg{sub 9/2} and f{sub 5/2}pg{sub 9/2} model spaces. The results of shell model calculations using the fpg{sub 9/2} model space have been observed to be in better agreement with experimental excitation energies up to the highest spin observed. The results of the present work highlight the necessity of f{sub 7/2} proton holes to describe the positive as well as negative parity states in {sup 66}Cu. (orig.)

  16. High rate gamma spectroscopy system for activation analysis of short-lived isomeric transitions

    Energy Technology Data Exchange (ETDEWEB)

    Westphall, G P [Atominstitut der Oesterreichischen Hochschulen, Vienna

    1976-07-15

    A high rate spectroscopy system specially suited for measurement of short-lived isomeric transitions is described, which, as part of a fast activation analysis facility at the TRIGA Mark II reactor, provides for automatic recording and immediate evaluation of gamma spectra taken from nuclides activated at stationary or pulsed reactor power. The system consists of a commercial de-coupled Ge(Li)-detector of 70 cm/sup 3/ modified for recycling operation for input rates in excess of 500000 c/s /sup 60/Co, a time variant trapezoidal shaping section and a fast constant dead-time ADC coupled to a programmed multichannel analyzer. Novel circuits for efficient pile-up rejection and time variant base line restoration extend the concept of gated integration up to count rates of more than 200000 c/s /sup 60/Co. Time-sequenced recording of spectra is performed by a minicomputer operated as a front-end processor of a larger laboratory computer, where final data processing takes place. New concepts for very simple and cost-effective implementation of multichannel analyzers by means of general purpose small computers are described.

  17. Ligand photo-isomerization triggers conformational changes in iGluR2 ligand binding domain.

    Directory of Open Access Journals (Sweden)

    Tino Wolter

    Full Text Available Neurological glutamate receptors bind a variety of artificial ligands, both agonistic and antagonistic, in addition to glutamate. Studying their small molecule binding properties increases our understanding of the central nervous system and a variety of associated pathologies. The large, oligomeric multidomain membrane protein contains a large and flexible ligand binding domains which undergoes large conformational changes upon binding different ligands. A recent application of glutamate receptors is their activation or inhibition via photo-switchable ligands, making them key systems in the emerging field of optochemical genetics. In this work, we present a theoretical study on the binding mode and complex stability of a novel photo-switchable ligand, ATA-3, which reversibly binds to glutamate receptors ligand binding domains (LBDs. We propose two possible binding modes for this ligand based on flexible ligand docking calculations and show one of them to be analogues to the binding mode of a similar ligand, 2-BnTetAMPA. In long MD simulations, it was observed that transitions between both binding poses involve breaking and reforming the T686-E402 protein hydrogen bond. Simulating the ligand photo-isomerization process shows that the two possible configurations of the ligand azo-group have markedly different complex stabilities and equilibrium binding modes. A strong but slow protein response is observed after ligand configuration changes. This provides a microscopic foundation for the observed difference in ligand activity upon light-switching.

  18. Isomerization and dissociation in competition: the two-component dissociation rates of methyl acetate ions

    Science.gov (United States)

    Mazyar, Oleg A.; Mayer, Paul M.; Baer, Tomas

    1997-11-01

    Threshold photoelectron-photoion coincidence (TPEPICO) spectroscopy has been used to investigate the unimolecular chemistry of metastable methyl acetate ions, CH3COOCH3.+. The rate of molecular ion fragmentation with the loss of CH3O. and CH2OH radicals as a function of ion internal energy was obtained from the coincidence data and used in conjunction with Rice-Ramsperger-Kassel-Markus and ab initio molecular orbital calculations to model the dissociation/isomerization mechanism of the methyl acetate ion (A). The data were found to be consistent with the mechanism involving a hydrogen-bridged complex CH3CO[middle dot][middle dot][middle dot]H[middle dot][middle dot][middle dot]OCH2.+(E) as the direct precursor of the observed fragments CH3CO+ and CH2OH.. The two-component decay rates were modeled with a three-well-two-product potential energy surface including the distonic ion CH3C(OH)OCH2.+(B) and enol isomer CH2C(OH)OCH3.+(C), which are formed from the methyl acetate ion by two consecutive [1,4]-hydrogen shifts. The 0 K heats of formation of isomers B and C as well as transition states TSAB, TSBC, and TSBE (relative to isomer A) were calculated from Rice-Ramsperger-Kassel-Markus (RRKM) theory.

  19. A comparative cytotoxicity study of isomeric alkylphthalates to metabolically variant bacteria

    International Nuclear Information System (INIS)

    Sandy, Edward H.; Yao Jun; Zheng Shixue; Gogra, Alhaji B.; Chen Huilun; Zheng Hui; Yormah, Thomas B.R.; Zhang Xin; Zaray, Gyula; Ceccanti, Brunello; Choi, Martin M.F.

    2010-01-01

    This work investigated the toxicity of two isomeric alkylphthalates, i.e., di-n-octyl phthalate (DOP) and di-2-ethylhexyl phthalate (DEHP) to two model bacteria, Escherichia coli (E. coli) and Bacillus subtilis (B. subtilis), which have been previously used to study the toxicity of environmental pollutants. Microcalorimetry was used as the key analytical tool alongside scanning electron microscopy (SEM) and traditional microbiology techniques. The thermokinetic parameters from microcalorimetry showed that the phthalates had a biphasic effect on the metabolic activities of the bacteria; serving as energy sources for the bacteria thereby stimulating their growth at low dosages (≤150 μg/mL), but displaying inhibitory effects at higher dosages (≥300 μg/mL), indicated by a sharp decrease in growth rate constants at 450 μg/mL. The SEM revealed that the bacterial cells were morphological deformed, with shrunk cells and elongated strands at 600 μg/mL of both phthalates. The elongated strands inferred that the phthalates inhibited the reproductive processes of the bacteria by possibly impeding some stages of cell division. The half inhibitory concentrations of the phthalates showed that DEHP was more toxic than DOP. Additionally, E. coli, a facultative anaerobe, was more susceptible to the toxic effects of phthalates than B. subtilis, an obligate aerobe capable of forming endospores crucial for tolerating extreme environmental conditions.

  20. LC-MS n Analysis of Isomeric Chondroitin Sulfate Oligosaccharides Using a Chemical Derivatization Strategy

    Science.gov (United States)

    Huang, Rongrong; Pomin, Vitor H.; Sharp, Joshua S.

    2011-09-01

    Improved methods for structural analyses of glycosaminoglycans (GAGs) are required to understand their functional roles in various biological processes. Major challenges in structural characterization of complex GAG oligosaccharides using liquid chromatography-mass spectrometry (LC-MS) include the accurate determination of the patterns of sulfation due to gas-phase losses of the sulfate groups upon collisional activation and inefficient on-line separation of positional sulfation isomers prior to MS/MS analyses. Here, a sequential chemical derivatization procedure including permethylation, desulfation, and acetylation was demonstrated to enable both on-line LC separation of isomeric mixtures of chondroitin sulfate (CS) oligosaccharides and accurate determination of sites of sulfation by MS n . The derivatized oligosaccharides have sulfate groups replaced with acetyl groups, which are sufficiently stable to survive MS n fragmentation and reflect the original sulfation patterns. A standard reversed-phase LC-MS system with a capillary C18 column was used for separation, and MS n experiments using collision-induced dissociation (CID) were performed. Our results indicate that the combination of this derivatization strategy and MS n methodology enables accurate identification of the sulfation isomers of CS hexasaccharides with either saturated or unsaturated nonreducing ends. Moreover, derivatized CS hexasaccharide isomer mixtures become separable by LC-MS method due to different positions of acetyl modifications.

  1. Nanopore Analysis of the 5-Guanidinohydantoin to Iminoallantoin Isomerization in Duplex DNA.

    Science.gov (United States)

    Zeng, Tao; Fleming, Aaron M; Ding, Yun; Ren, Hang; White, Henry S; Burrows, Cynthia J

    2018-04-06

    In DNA, guanine oxidation yields diastereomers of 5-guanidinohydantoin (Gh) as one of the major products. In nucleosides and single-stranded DNA, Gh is in a pH-dependent equilibrium with its constitutional isomer iminoallantoin (Ia). Herein, the isomerization reaction between Gh and Ia was monitored in duplex DNA using a protein nanopore by measuring the ionic current when duplex DNA interacts with the pore under an electrophoretic force. Monitoring current levels in this single-molecule method proved to be superior for analysis of population distributions in an equilibrating mixture of four isomers in duplex DNA as a function of pH. The results identified Gh as a major isomer observed when base paired with A, C, or G at pH 6.4-8.4, and Ia was a minor isomer of the reaction mixture that was only observed when the pH was >7.4 in the duplex DNA context. The present results suggest that Gh will be the dominant isomer in duplex DNA under physiological conditions regardless of the base-pairing partner in the duplex.

  2. A high rate gamma spectroscopy system for activation analysis of short lived isomeric transitions

    Energy Technology Data Exchange (ETDEWEB)

    Westphal, G P [Atominstitut, Vienna (Austria)

    1976-07-01

    A high rate spectroscopy system specially suited for measurement of short-lived isomeric transitions is described, which, as part of a fast activation analysis facility at the TRIGA Mark II reactor, provides for automatic recording and immediate evaluation of gamma spectra taken from nuclides activated at stationary or pulsed reactor power. The system consists of a commercial DC-coupled Ge(Li)-detector of 70 cm{sup 3} modified for recycling operation for input rates in excess of 500,000 c/s Co-60, a time variant trapezoidal shaping section and a fast constant dead-time ADC coupled to a programmed multi-channel analyzer. Novel circuits for efficient pile-up rejection and time variant base line restoration extend the concept of gated integration up to count rates of more than 300,000 c/s Co-60. Time-sequenced recording of spectra is performed by a mini computer operated as a front-end processor of a larger laboratory computer, where final data processing takes place. New concepts for very simple and cost-effective implementation of multi-channel analyzers by means of general purpose small computers are described. (author)

  3. SCATTERING OF SPIN WAVES BY MAGNETIC DEFECTS

    Energy Technology Data Exchange (ETDEWEB)

    Callaway, Joseph

    1962-12-15

    The scattering of spin waves by magnetic point defects is considered using a Green's function method. A partial wave expansion for the scattering amplitude is derived. An expression for the cross section is determined that includes the effect of resonant states. Application is made to the calculation of the thermal conductivity of an insulating ferromagnet. (auth)

  4. Excitation function and isomeric ratio of Tc-isotopes from the 93Nb(α, xn) reaction

    International Nuclear Information System (INIS)

    Kim, K.; Kim, G.N.; Naik, H.; Zaman, M.; Yang, S.-C.; Song, T.-Y.; Guin, R.; Das, S.K.

    2015-01-01

    The excitation functions of 94–96 Tc isotopes and independent isomeric ratios of 93m, g Tc, 94m, g Tc, and 95m, g Tc from the 93 Nb(α, xn) reaction within the energy range below 40 MeV have been determined by using a stacked-foil activation and an off-line γ-ray spectrometric technique at the Variable Energy Cyclotron Center, Kolkota, India. The excitation function of 94–96 Tc in the 93 Nb(α, xn) reaction was also calculated by using the computer code TALYS 1.6. The present data are found to be in general agreement with the literature data but have similar trend with some deviation from calculated data of the TALYS 1.6 code. The isomeric ratios of 93m, g Tc, 94m, g Tc, and 95m, g Tc in the 93 Nb(α, xn) reactions from the present work and literature data were compared with similar data in the 93 Nb( 3 He, xn) and 96 Mo(p, xn) reactions. In all the three reactions, the isomeric ratios increase with the increasing excitation energy. However, at all excitation energies, the isomeric ratios of 93m, g Tc, 94m, g Tc, and 95m, g Tc in the 93 Nb(α, xn) and 93 Nb( 3 He, xn) reactions are higher than those in the 96 Mo(p, xn) reactions, which indicate the role of input angular momentum besides excitation energy. Above the excitation energy of 35–55 MeV, the isomeric ratios of 95m, g Tc, 94m, g Tc, and 93m, g Tc decrease in all the 93 Nb(α, xn), 93 Nb( 3 He, xn) and 96 Mo(p, xn) reactions. This decreasing trend at higher excitation energy indicates the starting of pre-equilibrium reaction, which depends on the target, projectile, and type of reaction products

  5. Quasitravelling waves

    International Nuclear Information System (INIS)

    Beklaryan, Leva A

    2011-01-01

    A finite difference analogue of the wave equation with potential perturbation is investigated, which simulates the behaviour of an infinite rod under the action of an external longitudinal force field. For a homogeneous rod, describing solutions of travelling wave type is equivalent to describing the full space of classical solutions to an induced one-parameter family of functional differential equations of point type, with the characteristic of the travelling wave as parameter. For an inhomogeneous rod, the space of solutions of travelling wave type is trivial, and their 'proper' extension is defined as solutions of 'quasitravelling' wave type. By contrast to the case of a homogeneous rod, describing the solutions of quasitravelling wave type is equivalent to describing the quotient of the full space of impulsive solutions to an induced one-parameter family of point-type functional differential equations by an equivalence relation connected with the definition of solutions of quasitravelling wave type. Stability of stationary solutions is analyzed. Bibliography: 9 titles.

  6. Wave Star

    DEFF Research Database (Denmark)

    Kramer, Morten; Frigaard, Peter

    Nærværende rapport beskriver modelforsøg udført på Aalborg Universitet, Institut for Byggeri og Anlæg med bølgeenergianlæget Wave Star.......Nærværende rapport beskriver modelforsøg udført på Aalborg Universitet, Institut for Byggeri og Anlæg med bølgeenergianlæget Wave Star....

  7. Wave Star

    DEFF Research Database (Denmark)

    Kramer, Morten; Andersen, Thomas Lykke

    Nærværende rapport beskriver modelforsøg udført på Aalborg Universitet, Institut for Vand, Jord og Miljøteknik med bølgeenergianlægget Wave Star.......Nærværende rapport beskriver modelforsøg udført på Aalborg Universitet, Institut for Vand, Jord og Miljøteknik med bølgeenergianlægget Wave Star....

  8. Wave Dragon

    DEFF Research Database (Denmark)

    Tedd, James; Kofoed, Jens Peter; Knapp, W.

    2006-01-01

    Wave Dragon is a floating wave energy converter working by extracting energy principally by means of overtopping of waves into a reservoir. A 1:4.5 scale prototype has been sea tested for 20 months. This paper presents results from testing, experiences gained and developments made during this ext......Wave Dragon is a floating wave energy converter working by extracting energy principally by means of overtopping of waves into a reservoir. A 1:4.5 scale prototype has been sea tested for 20 months. This paper presents results from testing, experiences gained and developments made during...... this extended period. The prototype is highly instrumented. The overtopping characteristic and the power produced are presented here. This has enabled comparison between the prototype and earlier results from both laboratory model and computer simulation. This gives the optimal operating point and the expected...... power of the device. The project development team has gained much soft experience from working in the harsh offshore environment. In particular the effect of marine growth in the draft tubes of the turbines has been investigated. The control of the device has been a focus for development as is operates...

  9. Internal Ocean Waves

    Science.gov (United States)

    2006-01-01

    Internal waves are waves that travel within the interior of a fluid. The waves propagate at the interface or boundary between two layers with sharp density differences, such as temperature. They occur wherever strong tides or currents and stratification occur in the neighborhood of irregular topography. They can propagate for several hundred kilometers. The ASTER false-color VNIR image off the island of Tsushima in the Korea Strait shows the signatures of several internal wave packets, indicating a northern propagation direction. With its 14 spectral bands from the visible to the thermal infrared wavelength region, and its high spatial resolution of 15 to 90 meters (about 50 to 300 feet), ASTER images Earth to map and monitor the changing surface of our planet. ASTER is one of five Earth-observing instruments launched December 18, 1999, on NASA's Terra satellite. The instrument was built by Japan's Ministry of Economy, Trade and Industry. A joint U.S./Japan science team is responsible for validation and calibration of the instrument and the data products. The broad spectral coverage and high spectral resolution of ASTER provides scientists in numerous disciplines with critical information for surface mapping, and monitoring of dynamic conditions and temporal change. Example applications are: monitoring glacial advances and retreats; monitoring potentially active volcanoes; identifying crop stress; determining cloud morphology and physical properties; wetlands evaluation; thermal pollution monitoring; coral reef degradation; surface temperature mapping of soils and geology; and measuring surface heat balance. The U.S. science team is located at NASA's Jet Propulsion Laboratory, Pasadena, Calif. The Terra mission is part of NASA's Science Mission Directorate. Size: 60 by 120 kilometers (37.2 by 74.4 miles) Location: 34.6 degrees North latitude, 129.5 degrees East longitude Orientation: North at top Image Data: ASTER bands 3, 2, and 1 Original Data Resolution: 90

  10. Studies on anti-tumor effect of electromagnetic waves

    International Nuclear Information System (INIS)

    Kadota, Ikuhito; Wakabayashi, Toshio; Ogoshi, Kyoji; Kamijo, Akemi

    1995-01-01

    Hyperthermia have treated cancer with thermal effect of electromagnetic waves for biological systems, but the expected effect is not shown. Also non-thermal effect of electromagnetic waves is out of consideration. If irradiation conditions of electromagnetic waves with non-thermal anti-tumor effect are obtained, we can expect newly spread in cancer therapy. We had in vivo experiments that electromagnetic waves were irradiated to mice. In some irradiation conditions, the non-thermal anti-tumor effect of electromagnetic waves showed. In order to specify the irradiation conditions, we had in vitro experiments. We found that activity ratio of tumor cells which was measured by MTT method depended on irradiation time and power of electromagnetic waves. These results are useful for the cancer therapy. (author)

  11. g-factor of the 7/2+ isomeric bandhead in 175 W

    International Nuclear Information System (INIS)

    Ionescu-Bujor, M.; Iordachescu, A.; Marginean, N.; Brandolini, F.; Pavan, P.; Lenzi, S.M.; De Poli, M.; Gadea, A.; Martinez, T.; Medina, N.H.; Ribas, R.V.; Podolyak, Zs.

    2000-01-01

    Considerable effort is presently devoted to the investigation of the high-K isomers of multi-quasiparticle intrinsic structure systematically found in the deformed nuclei with Z=72-76 of the A ≅ 180 mass region. The configuration assignments for these isomers are based on measured static moments, as well as, on experimental branching ratios in the associated bands, from which (g K - g R )/Q 0 are derived. In the multi-quasiparticle state g-factor calculations, values taken from neighbouring odd-mass nuclei are generally used for the proton and neutron deformed single-particle g-factors. A good knowledge of these quantities is required for reliable high-K state g-factor evaluations. In the present work we report on the g-factor measurement for the low-lying J π = 7/2 + isomer bandhead in 175 W described by the neutron 7/2 + [633] Nilsson orbital. The isomeric state was populated in the 164 Dy( 16 O,5n) 175 W reaction using the 83 MeV pulsed 16 O beam (pulse width 1.5 ns, repetition period 800 ns) delivered by the LNL XTU-Tandem. The target consisted of 0.5 mg/cm 2 metallic 164 Dy on thick Pb backing which stopped the recoiling 175 W nuclei and the 16 O beam. The target was placed in an external magnetic field of 27.2(6) kG whose direction was periodically reversed. The 7/2 + isomeric state with T 1/2 = 216(6) ns and E x =234.9 keV de-excites by a dipole transition of 130.9 keV to the 5/2 - level. The angular distribution of the 130.9 keV gamma-ray has been observed time-differentially by using two planar Ge detectors placed at ± 135 angle with respect to the beam direction. The background corrected time spectra I(t,θ) obtained for the magnetic field direction up and down were used to form the experimental modulation ratio R exp (t)=[I↑(t,θ) - I ↓ (t,θ)]/[I↑(t,θ) + I ↓ (t,θ)]. The modulation pattern revealed Larmor oscillations with an amplitude strongly attenuated in time. The observed damping of the anisotropy has been attributed to quadrupole

  12. High frequency ion sound waves associated with Langmuir waves in type III radio burst source regions

    Directory of Open Access Journals (Sweden)

    G. Thejappa

    2004-01-01

    Full Text Available Short wavelength ion sound waves (2-4kHz are detected in association with the Langmuir waves (~15-30kHz in the source regions of several local type III radio bursts. They are most probably not due to any resonant wave-wave interactions such as the electrostatic decay instability because their wavelengths are much shorter than those of Langmuir waves. The Langmuir waves occur as coherent field structures with peak intensities exceeding the Langmuir collapse thresholds. Their scale sizes are of the order of the wavelength of an ion sound wave. These Langmuir wave field characteristics indicate that the observed short wavelength ion sound waves are most probably generated during the thermalization of the burnt-out cavitons left behind by the Langmuir collapse. Moreover, the peak intensities of the observed short wavelength ion sound waves are comparable to the expected intensities of those ion sound waves radiated by the burnt-out cavitons. However, the speeds of the electron beams derived from the frequency drift of type III radio bursts are too slow to satisfy the needed adiabatic ion approximation. Therefore, some non-linear process such as the induced scattering on thermal ions most probably pumps the beam excited Langmuir waves towards the lower wavenumbers, where the adiabatic ion approximation is justified.

  13. Theoretical Kinetic Study of the Formic Acid Catalyzed Criegee Intermediate Isomerization: Multistructural Anharmonicity and Atmospheric Implications

    KAUST Repository

    Monge Palacios, Manuel

    2018-01-29

    We performed a theoretical study on the double hydrogen shift isomerization reaction of a six carbon atom Criegee intermediate (C6-CI), catalyzed by formic acid (HCOOH), to produce vinylhydroperoxide (VHP), C6-CI+HCOOH→VHP+HCOOH. This Criegee intermediate can serve as a surrogate for larger CIs derived from important volatile organic compounds like monoterpenes, whose reactivity is not well understood and are difficult to handle computationally. The reactant HCOOH exerts a pronounced catalytic effect on the studied reaction by lowering the barrier height, but the kinetic enhancement is hindered by the multistructural anharmonicity. First, the rigid ring-structure adopted by the saddle point to facilitate simultaneous transfer of two atoms does not allow formation of as many conformers as those formed by the reactant C6-CI. And second, the flexible carbon chain of C6-CI facilitates the formation of stabilizing intramolecular C–H···O hydrogen bonds; this stabilizing effect is less pronounced in the saddle point structure due to its tightness and steric effects. Thus, the contribution of the reactant C6-CI conformers to the multistructural partition function is larger than that of the saddle point conformers. The resulting low multistructural anharmonicity factor partially cancels out the catalytic effect of the carboxylic acid, yielding in a moderately large rate coefficient, k(298 K) = 4.9·10-13 cm3 molecule-1 s-1. We show that carboxylic acids may promote the conversion of stabilized Criegee intermediates into vinylhydroperoxides in the atmosphere, which generates OH radicals and leads to secondary organic aerosol, thereby affecting the oxidative capacity of the atmosphere and ultimately the climate.

  14. Differentiation of isomeric 2-aryldimethyltetrahydro-5-quinolinones by electron ionization and electrospray ionization mass spectrometry.

    Science.gov (United States)

    Kumar, Ch Dinesh; Chary, V Naresh; Dinesh, A; Reddy, P S; Srinivas, K; Gayatri, G; Sastry, G N; Prabhakar, S

    2011-10-15

    A series of isomeric 2-aryl-6,6-dimethyltetrahydro-5-quinolinones (set I) and 2-aryl-7,7-dimethyltetrahydro-5-quinolinones (set II) were studied under positive ion electron ionization (EI) and electrospray ionization (ESI) techniques. Under EI conditions, the molecular ions were found to be less stable in set I isomers, and they resulted in abundant fragment ions, i.e., [M-CH(3)](+), [M-CO](+.), [M-HCO](+), [M-(CH(3),CO)](+), and [M-(CH(3),CH(2)O)](+), when compared with set II isomers. In addition, the set I isomers showed specific fragment ions corresponding to [M-OH](+) and [M-OCH(3)](+). The retro-Diels-Alder (RDA) product ion was always higher in set II isomers. The ESI mass spectra produced [M + H](+) ions, and their decomposition showed favorable loss of CH(3) radical, CH(4) and C(2)H(6) molecules in set I isomers. The set II isomers, however, showed predominant RDA product ions, and specific loss of H(2)O. The selectivity in EI and ESI was attributed to the instability of set I isomers by the presence of a gem-dimethyl group at the α-position, and it was supported by the data from model compounds without a gem-dimethyl group. Density functional theory (DFT) calculations successfully corroborated the fragmentation pathways for diagnostic ions. This study revealed the effect of a gem-dimethyl group located at the α-position to the carbonyl having aromatic/unsaturated carbon on the other side of the carbonyl group. Copyright © 2011 John Wiley & Sons, Ltd.

  15. Structures of butyl ions formed by electron impact ionization of isomeric butyl halides and alkanes

    International Nuclear Information System (INIS)

    Shold, D.M.; Ausloos, P.

    1978-01-01

    Using a pulsed ion cyclotron resonance (ICR) spectrometer, it is demonstrated that at pressures of about 10 -6 Torr and at observation times ranging from 10 -3 to 0.5 s, isobutane, neopentane, 2,2-dimethylbutane, isobutyl halides, and tert-butyl halides form C 4 H 9 + ions having the tertiary structure. In n-alkanes, 2-methylbutane, 3-methylpentane, n-butyl halides, and sec-butyl halides, both sec-C 4 H 9 + and t-C 4 H 9 + ions are observed, the sec-C 4 H 9 + ions surviving without rearrangement for at least 0.1 s. However, in the case of the halides, a collision-induced isomerization of the sec-C 4 H 9 + to the t-C 4 H 9 + ions occurs. The efficiency of this process increases with the basicity of the alkyl halide. Radiolysis experiments carried out at atmospheric pressures indicate, in agreement with ICR and solution experiments, that at times as short as 10 -10 s the majority of the i-C 4 H 9 + ions from isobutyl bromide rearrange to the t-C 4 H 9 + structure. On the other hand, in the radiolysis of both n-hexane and 3-methylpentane, the abundance of t-C 4 H 9 + relative to sec-C 4 H 9 + is substantially smaller than that observed in the ICR experiments, and decreases with decreasing collision interval. It is suggested that about 90% of the i-C 4 H 9 + can rearrange to t-C 4 H 9 + by simple 1,2-hydride shift without involving secondary or protonated methylcyclopropane structures as intermediates. 4 figures, 2 tables

  16. Ultrafast isomerization dynamics of a unidirectional molecular rotor revealed by femtosecond stimulated raman spectroscopy (FSRS)

    NARCIS (Netherlands)

    Hall, Christopher R.; Conyard, Jamie; Laptenok, Siarhei; Browne, Wesley R.; Feringa, Ben L.; Heisler, Ismael A.; Meech, Stephen R.

    2016-01-01

    Unidirectional molecular rotors based on chiral overcrowded alkenes operate via sequential photochemical- and thermal-activated steps. Over the last decade the rotation rate limiting thermal step has been optimized through modification of the molecular structure. In recent years we have shown the

  17. Temperature waves and the Boltzmann kinetic equation for phonons

    International Nuclear Information System (INIS)

    Urushev, D.; Borisov, M.; Vavrek, A.

    1988-01-01

    The ordinary parabolic equation for thermal conduction based on the Fourier empiric law as well as the generalized thermal conduction equation based on the Maxwell law have been derived from the Boltzmann equation for the phonons within the relaxation time approximation. The temperature waves of the so-called second sound in crystals at low temperatures are transformed into Fourier waves at low frequencies with respect to the characteristic frequency of the U-processes. These waves are transformed into temperature waves similar to the second sound waves in He II at frequences higher than the U-processes characteristic. 1 fig., 19 refs

  18. Beating HF waves to generate VLF waves in the ionosphere

    Science.gov (United States)

    Kuo, Spencer; Snyder, Arnold; Kossey, Paul; Chang, Chia-Lie; Labenski, John

    2012-03-01

    Beat-wave generation of very low frequency (VLF) waves by two HF heaters in the ionosphere is formulated theoretically and demonstrated experimentally. The heater-induced differential thermal pressure force and ponderomotive force, which dominate separately in the D and F regions of the ionosphere, drive an electron current for the VLF emission. A comparison, applying appropriate ionospheric parameters shows that the ponderomotive force dominates in beat-wave generation of VLF waves. Three experiments, one in the nighttime in the absence of D and E layers and two in the daytime in the presence of D and E layers, were performed. X mode HF heaters of slightly different frequencies were transmitted at CW full power. VLF waves at 10 frequencies ranging from 3.5 to 21.5 kHz were generated. The frequency dependencies of the daytime and nighttime radiation intensities are quite similar, but the nighttime radiation is much stronger than the daytime one at the same radiation frequency. The intensity ratio is as large as 9 dB at 11.5 kHz. An experiment directly comparing VLF waves generated by the beat-wave approach and by the amplitude modulation (AM) approach was also conducted. The results rule out the likely contribution of the AM mechanism acting on the electrojet and indicate that beat-wave in the VLF range prefers to be generated in the F region of the ionosphere through the ponderomotive nonlinearity, consistent with the theory. In the nighttime experiment, the ionosphere was underdense to the HF heaters, suggesting a likely setting for effective beat-wave generation of VLF waves by the HF heaters.

  19. Self-excited hydrothermal waves in evaporating sessile drops

    OpenAIRE

    Sefiane K.; Moffat J.R.; Matar O.K.; Craster R.V.

    2008-01-01

    Pattern formation driven by the spontaneous evaporation of sessile drops of methanol, ethanol, and FC-72 using infrared thermography is observed and, in certain cases, interpreted in terms of hydrothermal waves. Both methanol and ethanol drops exhibit thermal wave trains, whose wave number depends strongly on the liquid volatililty and substrate thermal conductivity. The FC- 72 drops develop cellular structures whose size is proportional to the local thickness. Prior to this work, hydrotherma...

  20. Wave Generation Theory

    DEFF Research Database (Denmark)

    Frigaard, Peter; Høgedal, Michael; Christensen, Morten

    The intention of this manual is to provide some formulas and techniques which can be used for generating waves in hydraulic laboratories. Both long crested waves (2-D waves) and short crested waves (3-D waves) are considered.......The intention of this manual is to provide some formulas and techniques which can be used for generating waves in hydraulic laboratories. Both long crested waves (2-D waves) and short crested waves (3-D waves) are considered....