Science.gov

Sample records for cold cluster reactions

  1. Skin Reactions to Cold

    PubMed Central

    Talpash, Orest

    1976-01-01

    Although skin reactions to cold are seen surprisingly infrequently in Canada, it is important to manage them correctly when they do occur. Frostbite, cold urticarias, Raynaud's disease and phenomenon, and several miscellaneous changes are discussed. PMID:21308019

  2. Chemical Reactions in Clusters

    DTIC Science & Technology

    1992-11-04

    NH 3)n, n _> 4, clusters has been attributed to the (solvated) naphtholate anion.3a A single picosecond decay measurement has been reported which...vibrational energy in the cluster Sl state. The data are summarized in Table I. A model to explain these decay results can be constructed based on a proton...11 TITLE (Include Security Classification) Chemical Reactions in Clusters 12 PERSONAL AUTHOR(S) Elliot R. Bernstein 13a TYPE OF REPORT 13b TIME COVERED

  3. Reactions of intermetallic clusters

    SciTech Connect

    Farley, R.W.; Castleman, A.W. Jr. )

    1990-02-01

    Reaction of bismuth--alkali clusters with closed-shell HX acids provides insight into the structures, formation, and stabilities of these intermetallic species. HC1 and HI are observed to quantitatively strip Bi{sub {ital x}}Na{sub {ital y}} and Bi{sub {ital x}}K{sub {ital y}}, respectively, of their alkali component, leaving bare bismuth clusters as the only bismuth-containing species detected. Product bismuth clusters exhibit the same distribution observed when pure bismuth is evaporated in the source. Though evaporated simultaneously from the same crucible, this suggests alkali atoms condense onto existing bismuth clusters and have negligible effect on their formation and consequent distribution. The indistinguishibility of reacted and pure bismuth cluster distributions further argues against the simple replacement of alkali atoms with hydrogen in these reactions. This is considered further evidence that the alkali atoms are external to the stable bismuth Zintl anionic structures. Reactivities of Bi{sub {ital x}}Na{sub {ital y}} clusters with HC1 are estimated to lie between 3{times}10{sup {minus}13} for Bi{sub 4}Na, to greater than 4{times}10{sup {minus}11} for clusters possessing large numbers of alkali atoms. Bare bismuth clusters are observed in separate experiments to react significantly more slowly with rates of 1--9{times}10{sup {minus}14} and exhibit little variation of reactivity with size. The bismuth clusters may thus be considered a relatively inert substrate upon which the alkali overlayer reacts.

  4. Toward cold and dense antikaonic nuclear clusters

    NASA Astrophysics Data System (ADS)

    Yamazaki, Toshimitsu

    Experimental search for cold and dense anti-kaonic nuclear cluster systems has been tried since 1998. Recently, an important indication for the most basic cluster K - pp has been obtained from old data of DISTO on p + p →K + + p + Λ through Λ(1405) production as a doorway. This success now triggers an extended search for a double kaonic cluster K - K - pp. Ultimately we have possibility to investigate multi-kaonic objects and kaonic strangelets in heavy-ion reactions. In this paper I trace my personal reminiscences of collaborative work with Paul Kienle during which I enjoyed the same feeling and excitement as Paul for more than a decade.

  5. Aluminum cluster reactions

    SciTech Connect

    Leuchtner, R.E.; Harms, A.C.; Castleman, A.W. Jr. )

    1991-01-15

    Aluminum clusters, both anion and cation, are produced using laser vaporization and reacted under thermal conditions with oxygen in a flow tube reactor. An etching reaction is observed and bimolecular rate constants are reported for Al{sup +}{sub {ital n}}, {ital n}=1--33, and Al{sup {minus}}{sub {ital n}}, {ital n}=5--37. For certain clusters, namely Al{sup +}{sub 7}, Al{sup {minus}}{sub 13}, and Al{sup {minus}}{sub 23}, no apparent reactivity is observed (they are found to be produced from larger species). Interestingly, these correspond to predicted jellium shell closings with 20, 40, and 70 electrons, respectively. Besides these exceptions, and a small odd/even alternation in reaction rates, the overall reactivity is relatively insensitive to cluster size, and is found to range between about 1 {times} 10{sup {minus}12} and 5 {times} 10{sup {minus}12} cm{sup 3}/s.

  6. Polyneutrons as agents for cold nuclear reactions

    SciTech Connect

    Fisher, J.C. )

    1992-12-01

    In this paper new nuclear reactions are described where polyneutrons exchange neutron pairs with charged nuclides, liberating substantial energy with only minor production of neutrons and tritium. It is postulated that polyneutrons are bound in a totally paired collective phase analogous to the Bardeen-Cooper-Schrieffer superconducting phase, that massive precursor hydrogen nuclides are bound in the same collective phase, and the polyneutrons are generated from precursor hydrogen by reaction with neutrons. The concentration and disposition of precursor hydrogen, of lithium, and of neutron-moderating and neutron-absorbing materials in the reactor environment emerge as key variables in cold nuclear reaction processes.

  7. Nuclear waste vitrification efficiency: cold cap reactions

    SciTech Connect

    Hrma, Pavel R.; Kruger, Albert A.; Pokorny, Richard

    2012-12-15

    The cost and schedule of nuclear waste treatment and immobilization are greatly affected by the rate of glass production. Various factors influence the performance of a waste-glass melter. One of the most significant, and also one of the least understood, is the process of batch melting. Studies are being conducted to gain fundamental understanding of the batch reactions, particularly those that influence the rate of melting, and models are being developed to link batch makeup and melter operation to the melting rate. Batch melting takes place within the cold cap, i.e., a batch layer floating on the surface of molten glass. The conversion of batch to glass consists of various chemical reactions, phase transitions, and diffusion-controlled processes. These include water evaporation (slurry feed contains as high as 60% water), gas evolution, the melting of salts, the formation of borate melt, reactions of borate melt with molten salts and with amorphous oxides (Fe2O3 and Al2O3), the formation of intermediate crystalline phases, the formation of a continuous glass-forming melt, the growth and collapse of primary foam, and the dissolution of residual solids. To this list we also need to add the formation of secondary foam that originates from molten glass but accumulates on the bottom of the cold cap. This study presents relevant data obtained for a high-level-waste melter feed and introduces a one-dimensional (1D) mathematical model of the cold cap as a step toward an advanced three-dimensional (3D) version for a complete model of the waste glass melter. The 1D model describes the batch-to-glass conversion within the cold cap as it progresses in a vertical direction. With constitutive equations and key parameters based on measured data, and simplified boundary conditions on the cold-cap interfaces with the glass melt and the plenum space of the melter, the model provides sensitivity analysis of the response of the cold cap to the batch makeup and melter conditions

  8. NUCLEAR WASTE VITRIFICATION EFFICIENCY COLD CAP REACTIONS

    SciTech Connect

    KRUGER AA; HRMA PR; POKORNY R

    2011-07-29

    The cost and schedule of nuclear waste treatment and immobilization are greatly affected by the rate of glass production. Various factors influence the performance of a waste-glass melter. One of the most significant, and also one of the least understood, is the process of batch melting. Studies are being conducted to gain fundamental understanding of the batch reactions, particularly those that influence the rate of melting, and models are being developed to link batch makeup and melter operation to the melting rate. Batch melting takes place within the cold cap, i.e., a batch layer floating on the surface of molten glass. The conversion of batch to glass consists of various chemical reactions, phase transitions, and diffusion-controlled processes. These include water evaporation (slurry feed contains as high as 60% water), gas evolution, the melting of salts, the formation of borate melt, reactions of borate melt with molten salts and with amorphous oxides (Fe{sub 2}O{sub 3} and Al{sub 2}O{sub 3}), the formation of intermediate crystalline phases, the formation of a continuous glass-forming melt, the growth and collapse of primary foam, and the dissolution of residual solids. To this list we also need to add the formation of secondary foam that originates from molten glass but accumulates on the bottom of the cold cap. This study presents relevant data obtained for a high-level-waste melter feed and introduces a one-dimensional (1D) mathematical model of the cold cap as a step toward an advanced three-dimensional (3D) version for a complete model of the waste glass melter. The 1D model describes the batch-to-glass conversion within the cold cap as it progresses in a vertical direction. With constitutive equations and key parameters based on measured data, and simplified boundary conditions on the cold-cap interfaces with the glass melt and the plenum space of the melter, the model provides sensitivity analysis of the response of the cold cap to the batch makeup

  9. Barrier Distributions for Cold-Fusion Reactions

    SciTech Connect

    Ikezoe, Hiroshi; Mitsuoka, Shin-ichi; Nishio, Katsuhisa; Tsuruta, Kaoru; Watanabe, Yutaka; Jeong, Sunchan; Satou, Ken-ichiro

    2006-08-14

    Coulomb barrier distributions for the capture process in the cold fusion reactions for 48Ti, 54Cr, 56Fe, 64Ni, 70Zn projectiles incident on 208Pb target are obtained by the measurement of the quasi-elastic scattering cross sections at backward angles. The obtained barrier distributions are compared with the result of a coupled-channels calculation. It is found that the barrier distributions are well reproduced by the calculation taking account of the coupling of one phonon of the quadrupole vibration for these projectile nuclei and two phonons of the octupole vibration for 208Pb.

  10. Cold Fronts in Clusters of Galaxies: Observations and Modeling

    NASA Technical Reports Server (NTRS)

    Markevitch, Maxim

    2012-01-01

    Mergers of galaxy clusters -- some of the most energetic events in the Universe -- produce disturbances in hot intracluster medium, such as shocks and cold fronts, that can be used as tools to study the physics of galaxy clusters. Cold fronts may constrain viscosity and the structure and strength of the cluster magnetic fields. Combined with radio data, these observations also shed light on the production of ultrarelativistic particles that are known to coexist with the cluster thermal plasma. This talk will summarize the current X-ray observations of cluster mergers, as well as some recent radio data and high resolution hydrodynamic simulations.

  11. Cold state-selected molecular collisions and reactions.

    PubMed

    Stuhl, Benjamin K; Hummon, Matthew T; Ye, Jun

    2014-01-01

    Over the past decade, and particularly the past five years, a quiet revolution has been building at the border between atomic physics and experimental quantum chemistry. The rapid development of techniques for producing cold and even ultracold molecules without a perturbing rare-gas cluster shell is now enabling the study of chemical reactions and scattering at the quantum scattering limit with only a few partial waves contributing to the incident channel. Moreover, the ability to perform these experiments with nonthermal distributions comprising one or a few specific states enables the observation and even full control of state-to-state collision rates in this computation-friendly regime: This is perhaps the most elementary study possible of scattering and reaction dynamics.

  12. Clustering aspects of nuclear structure and reactions

    SciTech Connect

    Betts, R.R.; Rae, W.D.M.

    1986-01-01

    Some aspects of clustering phenomena in nuclear structure and reactions are reviewed. Particular emphasis is placed on the relationship between cluster-like states and shape-isomeric states which arise as a result of shell effects in deformed potentials. Some recent evidence in favor of this connection is presented and discussed. 50 refs., 17 figs.

  13. AGN jet-driven stochastic cold accretion in cluster cores

    NASA Astrophysics Data System (ADS)

    Prasad, Deovrat; Sharma, Prateek; Babul, Arif

    2017-10-01

    Several arguments suggest that stochastic condensation of cold gas and its accretion on to the central supermassive black hole (SMBH) is essential for active galactic nuclei (AGNs) feedback to work in the most massive galaxies that lie at the centres of galaxy clusters. Our 3-D hydrodynamic AGN jet-ICM (intracluster medium) simulations, looking at the detailed angular momentum distribution of cold gas and its time variability for the first time, show that the angular momentum of the cold gas crossing ≲1 kpc is essentially isotropic. With almost equal mass in clockwise and counterclockwise orientations, we expect a cancellation of the angular momentum on roughly the dynamical time. This means that a compact accretion flow with a short viscous time ought to form, through which enough accretion power can be channeled into jet mechanical energy sufficiently quickly to prevent a cooling flow. The inherent stochasticity, expected in feedback cycles driven by cold gas condensation, gives rise to a large variation in the cold gas mass at the centres of galaxy clusters, for similar cluster and SMBH masses, in agreement with the observations. Such correlations are expected to be much tighter for the smoother hot/Bondi accretion. The weak correlation between cavity power and Bondi power obtained from our simulations also matches observations.

  14. Transfer-type products accompanying cold fusion reactions

    SciTech Connect

    Adamian, G.G.; Antonenko, N.V.

    2005-12-15

    Production of nuclei heavier than the target is treated for projectile-target combinations used in cold fusion reactions leading to superheavy nuclei. These products are related to transfer-type or to asymmetry-exit-channel quasifission reactions. The production of isotopes in the transfer-type reactions emitting of {alpha} particles with large energies is discussed.

  15. Cold molecular gas in cooling flow clusters of galaxies

    NASA Astrophysics Data System (ADS)

    Salomé, P.; Combes, F.

    2003-12-01

    The results of a CO line survey in central cluster galaxies with cooling flows are presented. Cold molecular gas is detected with the IRAM 30 m telescope, through CO(1-0) and CO(2-1) emission lines in 6-10 among 32 galaxies. The corresponding gas masses are between 3*E8 and 4*E10 Msun. These results are in agreement with recent CO detections by \\cite{Edg01}. A strong correlation between the CO emission and the Hα luminosity is also confirmed. Cold gas exists in the center of cooling flow clusters and these detections may be interpreted as evidence of the long searched for very cold residual of the hot cooling gas. Tables 1-4 are also available at the CDS via anonymous ftp to cdsarc.u-strasbg.fr (130.79.128.5) http://cdsweb.u-strasbg.fr/cgi-bin/qcat?J/A+A/412/657

  16. Cluster preformation at the nuclear surface in cold fission

    NASA Astrophysics Data System (ADS)

    Poenaru, D. N.; Gherghescu, R. A.

    2017-04-01

    Microscopic theories of alpha decay and cluster radioactivity explain these decay modes as a quantum tunnelling of a preformed cluster at the nuclear surface. In the present work we show that in a spontaneous cold-fission process the shell plus pairing corrections, calculated with Strutinsky's procedure based on the two-center shell model, may give a strong argument for preformation of a light fission fragment near the nuclear surface. It is obtained when the radius of the light fragment, R 2, is increased linearly with the separation distance, R, of the two fragments, while for R 2 = const one gets the well-known two-hump potential barrier for heavy and superheavy nuclei. Nuclear-physics community also contributed to nanocluster physics by applying the macroscopic-microscopic method to explain the shell effects experimentally observed since 1984. Applications are shown for two nuclei, 260Rf and 264Sg, whose half-life against spontaneous fission is very well known. We stress a new aspect of the cold spontaneous fission, unifying its theory with that of α- and cluster decays, all having in common a preformed light cluster which will penetrate the potential barrier by quantum tunelling.

  17. SIGNATURES OF STAR CLUSTER FORMATION BY COLD COLLAPSE

    SciTech Connect

    Kuznetsova, Aleksandra; Hartmann, Lee; Ballesteros-Paredes, Javier

    2015-12-10

    Subvirial gravitational collapse is one mechanism by which star clusters may form. Here we investigate whether this mechanism can be inferred from observations of young clusters. To address this question, we have computed smoothed particle hydrodynamics simulations of the initial formation and evolution of a dynamically young star cluster through cold (subvirial) collapse, starting with an ellipsoidal, turbulently seeded distribution of gas, and forming sink particles representing (proto)stars. While the initial density distributions of the clouds do not have large initial mass concentrations, gravitational focusing due to the global morphology leads to cluster formation. We use the resulting structures to extract observable morphological and kinematic signatures for the case of subvirial collapse. We find that the signatures of the initial conditions can be erased rapidly as the gas and stars collapse, suggesting that kinematic observations need to be made early in cluster formation and/or at larger scales, away from the growing cluster core. Our results emphasize that a dynamically young system is inherently evolving on short timescales, so that it can be highly misleading to use current-epoch conditions to study aspects such as star formation rates as a function of local density. Our simulations serve as a starting point for further studies of collapse including other factors such as magnetic fields and stellar feedback.

  18. Signatures of Star Cluster Formation by Cold Collapse

    NASA Astrophysics Data System (ADS)

    Kuznetsova, Aleksandra; Hartmann, Lee; Ballesteros-Paredes, Javier

    2015-12-01

    Subvirial gravitational collapse is one mechanism by which star clusters may form. Here we investigate whether this mechanism can be inferred from observations of young clusters. To address this question, we have computed smoothed particle hydrodynamics simulations of the initial formation and evolution of a dynamically young star cluster through cold (subvirial) collapse, starting with an ellipsoidal, turbulently seeded distribution of gas, and forming sink particles representing (proto)stars. While the initial density distributions of the clouds do not have large initial mass concentrations, gravitational focusing due to the global morphology leads to cluster formation. We use the resulting structures to extract observable morphological and kinematic signatures for the case of subvirial collapse. We find that the signatures of the initial conditions can be erased rapidly as the gas and stars collapse, suggesting that kinematic observations need to be made early in cluster formation and/or at larger scales, away from the growing cluster core. Our results emphasize that a dynamically young system is inherently evolving on short timescales, so that it can be highly misleading to use current-epoch conditions to study aspects such as star formation rates as a function of local density. Our simulations serve as a starting point for further studies of collapse including other factors such as magnetic fields and stellar feedback.

  19. Cluster Dynamics: Fast Reactions and Coulomb Explosion

    NASA Astrophysics Data System (ADS)

    Poth, Lutz; Wisniewski, Eric S.; Welford Castleman, A., Jr.

    2002-07-01

    One of the enduring mysteries of chemistry is exactly what happens during the few femtoseconds it takes for a chemical reaction to transpire. We see what goes in and what comes out, but the in between happens so fast it has proved devilishly hard to study. One promising area of investigation involves the use of clusters—tiny atomic or molecular assemblages with weak bonding. Clusters can be rapidly ionized using laser pulses of very short duration, producing like charges of sufficient intensity and closeness to cause explosive repulsion, called Coulomb explosion. By carefully adjusting the delivery interval between femtosecond-duration laser pulses to clusters, the authors have begun to reveal the secrets of reaction dynamics.

  20. Neutron-halo nuclei in cold synthesis and cluster decay of heavy nuclei: {ital Z}=104 nucleus as an example

    SciTech Connect

    Gupta, R.K.; Singh, S.; Muenzenberg, G.; Scheid, W. ||

    1995-05-01

    Nuclei at the neutron-drip line are studied. The light neutron-halo nuclei are found to play an important role for both cold fusion reactions and exotic cluster decay studies of heavy nuclei at the neutron-drip line. For cold fusion reactions, beams of neutron-halo nuclei are shown to occur as natural extensions of the conventional lighter beams but with the corresponding target nuclei as the heavy neutron-rich radioactive nuclei. Thus, in synthesizing the various isotopes of a neutron-rich cool compound nucleus, both the target and projectile nuclei have to be richer in neutrons, with their proton numbers remaining the same. On the other hand, neutron-halo (cluster) decays are favored for a relatively less neutron-rich parent nucleus. Possible consequences of this work for the shell structure effects in neutron-rich heavy nuclei are also pointed out. This follows from the fact that the so far observed phenomena of both cold fusion and cluster radioactivity are associated with closed or nearly closed shell nuclei. Calculations are made for {sup 274,288}104, using the quantum mechanical fragmentation theory for cold fusion reaction studies and a performed cluster model for cluster decay studies.

  1. Formation of superheavy nuclei in cold fusion reactions

    SciTech Connect

    Feng Zhaoqing; Jin Genming; Li Junqing; Scheid, Werner

    2007-10-15

    Within the concept of the dinuclear system (DNS), a dynamical model is proposed for describing the formation of superheavy nuclei in complete fusion reactions by incorporating the coupling of the relative motion to the nucleon transfer process. The capture of two heavy colliding nuclei, the formation of the compound nucleus, and the de-excitation process are calculated by using an empirical coupled channel model, solving a master equation numerically and applying statistical theory, respectively. Evaporation residue excitation functions in cold fusion reactions are investigated systematically and compared with available experimental data. Maximal production cross sections of superheavy nuclei in cold fusion reactions with stable neutron-rich projectiles are obtained. Isotopic trends in the production of the superheavy elements Z=110, 112, 114, 116, 118, and 120 are analyzed systematically. Optimal combinations and the corresponding excitation energies are proposed.

  2. Reproducible cold fusion reaction using a complex cathode

    SciTech Connect

    Arata, Y.; Zhang, Y.C. )

    1992-09-01

    This paper discusses a new complex cathode which was developed, consisting of a nickel (or palladium) rod with a palladium layer applied by plasma spraying. High reproducibility of a cold fusion reaction is confirmed by using this cathode. The palladium layer activates the surface functions of the deuterated cathode, and reliable evidence is obtained that a new type of heat generation occurred in the complex cathode.

  3. An extended cold gas absorber in a central cluster galaxy

    NASA Astrophysics Data System (ADS)

    Smith, Russell J.; Edge, Alastair C.

    2017-10-01

    We present the serendipitous discovery of an extended cold gas structure projected close to the brightest cluster galaxy (BCG) of the z=0.045 cluster Abell 3716, from archival integral field spectroscopy. The gas is revealed through narrow Na D line absorption, seen against the stellar light of the BCG, which can be traced for $\\sim$25 kpc, with a width of 2-4 kpc. The gas is offset to higher velocity than the BCG (by $\\sim$100 km/s), showing that it is infalling rather than outflowing; the intrinsic linewidth is $\\sim$80 km/s (FWHM). Very weak H$\\alpha$ line emission is detected from the structure, and a weak dust absorption feature is suggested from optical imaging, but no stellar counterpart has been identified. We discuss some possible interpretations for the absorber: as a projected low-surface-brightness galaxy, as a stream of gas that was stripped from an infalling cluster galaxy, or as a "retired" cool-core nebula filament.

  4. Effects of the cosmological constant on cold dark matter clusters

    NASA Astrophysics Data System (ADS)

    Membrado, M.; Pacheco, A. F.

    2014-07-01

    Context. Cold dark matter inhomogeneities are considered in a homogeneous background of matter, radiation, and the cosmological constant in a flat universe. Aims: We investigate the influence of the cosmological constant on the non-linear collapse of cold dark matter clusters. Methods: For simplicity, a spherical infall model has been used to describe the collapse of non-relativistic mass shells; besides, an average distribution of density around a cluster of galaxies has been taken. Boundary conditions are imposed by the solution of the linearized equation for the growth of matter perturbations and by the cold dark matter power spectrum. Results: For an average cluster, the radii of shells and masses enclosed by them have been obtained at their zero proper acceleration (ZA) redshifts, at their turn-around (TA) redshifts and at their virialization (VIR) redshifts. According to our results at present, the shell that reaches its turn-around point shows [rTA] 0 = 6.85 Mpc and [ℳTA] 0 = 6.76 × 1014 ℳ⊙. The virializing shell fulfills [rTA] 0 = 4.57 [rVIR] 0 and [ℳTA] 0 = 1.95 [ℳVIR] 0. These results differ appreciably from those derived from a model with cosmological constant equal to zero in a flat universe: [rTA(Λ = 0)] 0 = 6.62 [rVIR(Λ = 0)] 0 and [ℳTA(Λ = 0)] 0 = 5.26 [ℳVIR(Λ = 0)] 0; this discrepancy could be considered as a new independent proof of the existence of dark energy. The shell with zero proper acceleration presents [rZA] 0 = 1.59 [rTA] 0 and [ℳZA] 0 = 1.63 [ℳTA] 0. We have found that there is a limit to the mass of the average cluster, which is able to virialize; its value is { ℳVIR } MAX = 8.1 × 1014 M⊙. As expected, we found that shells present null proper acceleration at redshift values that are smaller than 0.755. Conclusions: We have noticed that the cosmological constant imposes an upper limit for the mass enclosed by shells, which are able to reach zero proper velocity. Hence, this mass is the maximum mass of the

  5. Synthesis of the heaviest nuclei in cold fusion reactions

    NASA Astrophysics Data System (ADS)

    Münzenberg, G.; Morita, K.

    2015-12-01

    Cold fusion of heavy ions paved the way to superheavy elements. It was proposed by Yu.Ts. Oganessian more than forty years ago in 1974 [1,2]. First experiments were carried out at JINR Dubna, starting with the reaction 40Ar + 208Pb → 248Fm* where several hundreds to thousand atoms were produced on one day. The large production rate indicating an enhancement of the fusion cross section, especially for the evaporation of two or three neutrons, proved the concept of cold-fusion with the use of the doubly magic nucleus 208Pb as a target. The Dubna experiments were extended to the transactinide region beyond rutherfordium. The breakthrough came with the separation in-flight. Two different approaches were used: kinematic separation with the velocity filter SHIP [3] at GSI Darmstadt, and with the gasfilled separator GARIS [4,5] at RIKEN. With SHIP the concept of cold fusion of massive nuclear systems was convincingly confirmed by the observation of the one-neutron evaporation channel in the production of 247Rf in an irradiation of 208Pb with 50Ti [6] in 1981 which opened the way to the transactinide region. At SHIP the elements bohrium (107) to copernicium (112) were discovered [7]. A new closed shell region around hassium was found. The RIKEN experiments started in 2002. They confirmed the GSI results and in addition improved the data on structure and production of elements hassium to copernicium significantly. The heaviest element ever created in a cold fusion reaction, Z = 113, was observed at GARIS [8,9].

  6. A HIGH FIDELITY SAMPLE OF COLD FRONT CLUSTERS FROM THE CHANDRA ARCHIVE

    SciTech Connect

    Owers, Matt S.; Nulsen, Paul E. J.; Markevitch, Maxim; Couch, Warrick J.

    2009-10-20

    This paper presents a sample of 'cold front' clusters selected from the Chandra archive. The clusters are selected based purely on the existence of surface brightness edges in their Chandra images which are modeled as density jumps. A combination of the derived density and temperature jumps across the fronts is used to select nine robust examples of cold front clusters: 1ES0657 - 558, Abell 1201, Abell 1758N, MS1455.0+2232, Abell 2069, Abell 2142, Abell 2163, RXJ1720.1+2638, and Abell 3667. This sample is the subject of an ongoing study aimed at relating cold fronts to cluster merger activity, and understanding how the merging environment affects the cluster constituents. Here, temperature maps are presented along with the Chandra X-ray images. A dichotomy is found in the sample in that there exists a subsample of cold front clusters which are clearly mergers based on their X-ray morphologies, and a second subsample of clusters which harbor cold fronts, but have surprisingly relaxed X-ray morphologies, and minimal evidence for merger activity at other wavelengths. For this second subsample, the existence of a cold front provides the sole evidence for merger activity at X-ray wavelengths. We discuss how cold fronts can provide additional information which may be used to constrain merger histories, and also the possibility of using cold fronts to distinguish major and minor mergers.

  7. Cold gas stripping in satellite galaxies: from pairs to clusters

    NASA Astrophysics Data System (ADS)

    Brown, Toby; Catinella, Barbara; Cortese, Luca; Lagos, Claudia del P.; Davé, Romeel; Kilborn, Virginia; Haynes, Martha P.; Giovanelli, Riccardo; Rafieferantsoa, Mika

    2017-04-01

    In this paper, we investigate environment-driven gas depletion in satellite galaxies, taking full advantage of the atomic hydrogen (H I) spectral stacking technique to quantify the gas content for the entire gas-poor to -rich regimes. We do so using a multiwavelength sample of 10 600 satellite galaxies, selected according to stellar mass (log M⋆/M⊙ ≥ 9) and redshift (0.02 ≤ z ≤ 0.05) from the Sloan Digital Sky Survey, with H I data from the Arecibo Legacy Fast ALFA survey. Using key H I-to-stellar mass scaling relations, we present evidence that the gas content of satellite galaxies is, to a significant extent, dependent on the environment in which a galaxy resides. For the first time, we demonstrate that systematic environmental suppression of gas content at both fixed stellar mass and fixed specific star formation rate in satellite galaxies begins in halo masses typical of the group regime (log Mh/M⊙ < 13.5), well before galaxies reach the cluster environment. We also show that environment-driven gas depletion is more closely associated with halo mass than local density. Our results are then compared with state-of-the-art semi-analytic models and hydrodynamical simulations and discussed within this framework, showing that more work is needed if models are to reproduce the observations. We conclude that the observed decrease of gas content in the group and cluster environments cannot be reproduced by starvation of the gas supply alone and invoke fast acting processes such as ram-pressure stripping of cold gas to explain this.

  8. The Properties of X-ray Cold Fronts in a Statistical Sample of Simulated Galaxy Clusters

    NASA Astrophysics Data System (ADS)

    Hallman, Eric J.; Skillman, Samuel W.; Jeltema, Tesla E.; Smith, Britton D.; O'Shea, Brian W.; Burns, Jack O.; Norman, Michael L.

    2010-12-01

    We examine the incidence of cold fronts in a large sample of galaxy clusters extracted from a (512 h -1 Mpc) hydrodynamic/N-body cosmological simulation with adiabatic gas physics computed with the Enzo adaptive mesh refinement code. This simulation contains a sample of roughly 4000 galaxy clusters with M >=1014 M sun at z = 0. For each simulated galaxy cluster, we have created mock 0.3-8.0 keV X-ray observations and spectroscopic-like temperature maps. We have searched these maps with a new automated algorithm to identify the presence of cold fronts in projection. Using a threshold of a minimum of 10 cold front pixels in our images, corresponding to a total comoving length L cf>156 h -1 kpc, we find that roughly 10%-12% of all projections in a mass-limited sample would be classified as cold front clusters. Interestingly, the fraction of clusters with extended cold front features in our synthetic maps of a mass-limited sample trends only weakly with redshift out to z = 1.0. However, when using different selection functions, including a simulated flux limit, the trending with redshift changes significantly. The likelihood of finding cold fronts in the simulated clusters in our sample is a strong function of cluster mass. In clusters with M>7.5 × 1014 M sun the cold front fraction is 40%-50%. We also show that the presence of cold fronts is strongly correlated with disturbed morphology as measured by quantitative structure measures. Finally, we find that the incidence of cold fronts in the simulated cluster images is strongly dependent on baryonic physics.

  9. THE PROPERTIES OF X-RAY COLD FRONTS IN A STATISTICAL SAMPLE OF SIMULATED GALAXY CLUSTERS

    SciTech Connect

    Hallman, Eric J.; Skillman, Samuel W.; Smith, Britton D.; Burns, Jack O.; Jeltema, Tesla E.; Norman, Michael L.

    2010-12-10

    We examine the incidence of cold fronts in a large sample of galaxy clusters extracted from a (512 h {sup -1} Mpc) hydrodynamic/N-body cosmological simulation with adiabatic gas physics computed with the Enzo adaptive mesh refinement code. This simulation contains a sample of roughly 4000 galaxy clusters with M {>=}10{sup 14} M{sub sun} at z = 0. For each simulated galaxy cluster, we have created mock 0.3-8.0 keV X-ray observations and spectroscopic-like temperature maps. We have searched these maps with a new automated algorithm to identify the presence of cold fronts in projection. Using a threshold of a minimum of 10 cold front pixels in our images, corresponding to a total comoving length L{sub cf}>156 h {sup -1} kpc, we find that roughly 10%-12% of all projections in a mass-limited sample would be classified as cold front clusters. Interestingly, the fraction of clusters with extended cold front features in our synthetic maps of a mass-limited sample trends only weakly with redshift out to z = 1.0. However, when using different selection functions, including a simulated flux limit, the trending with redshift changes significantly. The likelihood of finding cold fronts in the simulated clusters in our sample is a strong function of cluster mass. In clusters with M>7.5 x 10{sup 14} M{sub sun} the cold front fraction is 40%-50%. We also show that the presence of cold fronts is strongly correlated with disturbed morphology as measured by quantitative structure measures. Finally, we find that the incidence of cold fronts in the simulated cluster images is strongly dependent on baryonic physics.

  10. Range of plasma ions in cold cluster gases near the critical point

    NASA Astrophysics Data System (ADS)

    Zhang, G.; Quevedo, H. J.; Bonasera, A.; Donovan, M.; Dyer, G.; Gaul, E.; Guardo, G. L.; Gulino, M.; La Cognata, M.; Lattuada, D.; Palmerini, S.; Pizzone, R. G.; Romano, S.; Smith, H.; Trippella, O.; Anzalone, A.; Spitaleri, C.; Ditmire, T.

    2017-05-01

    We measure the range of plasma ions in cold cluster gases by using the Petawatt laser at the University of Texas-Austin. The produced plasma propagated in all directions some hitting the cold cluster gas not illuminated by the laser. From the ratio of the measured ion distributions at different angles we can estimate the range of the ions in the cold cluster gas. It is much smaller than estimated using popular models, which take only into account the slowing down of charged particles in uniform matter. We discuss the ion range in systems prepared near a liquid-gas phase transition.

  11. Systemic reactions with aeroallergen cluster immunotherapy in a clinical practice.

    PubMed

    Copenhaver, Christopher C; Parker, Anne; Patch, Steven

    2011-11-01

    Subcutaneous allergen-specific immunotherapy is a proven, highly effective treatment for immunoglobulin E-mediated diseases. Despite its proven benefits, only a small percentage of patients with allergic disease use immunotherapy, in part because of the inconvenience associated with treatment. Cluster allergen immunotherapy may offer patients a more convenient treatment option but is prescribed infrequently because of the perception that accelerated immunotherapy buildup leads a higher rate of systemic reactions. To examine the safety of cluster immunotherapy and identify risk factors for systemic reactions during cluster buildup. A retrospective, observational review in a large, multicenter allergy practice group was conducted for patients receiving cluster immunotherapy between May 2008 and October 2010. Data from 441 patients receiving cluster immunotherapy were collected. Forty-eight patients (10.9%) experienced systemic reactions. Based on the World Allergy Organization Subcutaneous Immunotherapy Systemic Reaction Grading System, 18 grade 1 reactions (38.3%), 23 grade 2 reactions (48.9%), 5 grade 3 reactions (10.6%), 1 grade 4 reaction (2.1%), and no grade 5 reactions were seen. Risk factors for a systemic reaction included: female sex, physician diagnosis of asthma, age 21 to 40 years, and inclusion of certain allergens in the immunotherapy vaccine. Cluster immunotherapy allows patients to reach their immunotherapy maintenance dose more rapidly and may lead to more rapid symptomatic improvement. However, the cluster buildup may lead to a higher rate of systemic reactions. Identifying risk factors for systemic reactions will help improve the safety of cluster immunotherapy. Copyright © 2011 American College of Allergy. Published by Elsevier Inc. All rights reserved.

  12. Cluster Productions in Intermediate-Energy Proton-Nucleus Reactions

    SciTech Connect

    Iwamoto, Hiroki; Uozumi, Yusuke

    2008-04-17

    We propose a model to describe cluster productions within the framework of the intranuclear cascade (INC) model. In our model, combination of the 'surface coalescence' and the 'knockout' is implemented to describe cluster productions in intermediate-energy nuclear reactions. In the present work, the basic ingredients of our INC model are defined and applied to nucleon and cluster productions for the proton-nucleus reactions. Although our INC model has some difficulties and room for improvement, it gives a good overall agreement with experimental data of not only nucleon productions but also cluster productions at intermediate energies.

  13. Solvation and chemical reaction of sodium in water clusters

    NASA Astrophysics Data System (ADS)

    Bobbert, C.; Schulz, C. P.

    Nam(H2O)n Clusters ( n = 1...200, m = 1...50) are formed in a recently build pick-up arrangement. Preformed water clusters traverse a sodium oven, where sodium atoms are picked up. At low sodium vapour pressure ( < 1×10-4 mbar) pure Na(H2O)n clusters are observed in the mass spectra. At high sodium vapour pressure ( > 1×10-3 mbar) the water cluster pick up more than 50 Na atoms and reaction products Na(NaOH)n ( n = 2, 4...50) dominate the mass spectra. The even number of NaOH units in the products indicate that also in a finite cluster the reaction occurs in pairs as in the macroscopic reaction.

  14. Formation of cold ion-neutral clusters using superfluid helium nanodroplets

    NASA Astrophysics Data System (ADS)

    Falconer, Travis M.; Lewis, William K.; Bemish, Raymond J.; Miller, Roger E.; Glish, Gary L.

    2010-05-01

    A strategy for forming and detecting cold ion-neutral clusters using superfluid helium nanodroplets is described. Sodium cations generated via thermionic emission are directed toward a beam of helium droplets that can also pick up neutral molecules and form a cluster with the captured Na+. The composition of the clusters is determined by mass spectrometric analysis following a desolvation step. It is shown that the polar molecules H2O and HCN are picked up and form ion-neutral clusters with sizes and relative abundances that are in good agreement with those predicted by the statistics used to describe neutral cluster formation in helium droplets. [Na(H2O)n]+ clusters containing six to 43 water molecules were observed, a size range of sodiated water clusters difficult to access in the gas phase. Clusters containing N2 were in lower abundance than expected, suggesting that the desolvation process heats the clusters sufficiently to dissociate those containing nonpolar molecules.

  15. A light water excess heat reaction suggests that cold fusion may be alkali-hydrogen fusion

    SciTech Connect

    Bush, R.T. )

    1992-09-01

    This paper reports that Mills and Kneizys presented data in support of a light water excess heat reaction obtained with an electrolytic cell highly reminiscent of the Fleischmann-Pons cold fusion cell. The claim of Mills and Kneizys that their excess heat reaction can be explained on the basis of a novel chemistry, which supposedly also explains cold fusion, is rejected in favor of their reaction being, instead, a light water cold fusion reaction. It is the first known light water cold fusion reaction to exhibit excess heat, it may serve as a prototype to expand our understanding of cold fusion. From this new reactions are deduced, including those common to past cold fusion studies. This broader pattern of nuclear reactions is typically seen to involve a fusion of the nuclides of the alkali atoms with the simplest of the alkali-type nuclides, namely, protons, deuterons, and tritons. Thus, the term alkali-hydrogen fusion seems appropriate for this new type of reaction with three subclasses: alkali-hydrogen fusion, alkali-deuterium fusion, and alkali-tritium fusion. A new three-dimensional transmission resonance model (TRM) is sketched. Finally, preliminary experimental evidence in support of the hypothesis of a light water nuclear reaction and alkali-hydrogen fusion is reported. Evidence is presented that appears to strongly implicate the transmission resonance phenomenon of the new TRM.

  16. Reactions of hydrogen halides with clusters of ammonia molecules

    SciTech Connect

    Breen, J.J.; Kilgore, K.; Wei, S.; Tzeng, W.B.; Keesee, R.G.; Castleman, A.W. Jr. )

    1989-11-02

    Reactions between an ammonia cluster beam and an effusive source of hydrogen halide molecules are shown to form mixed clusters containing as many as four hydrogen halide molecules. Multiphoton ionization of the product clusters using the third harmonic of a Q-switched Nd:YAG laser leads mainly to species of the comparison H{sup +}(NH{sub 3}){sub n}(NH){sub m}, where X = Cl or I and n is greater than m. In addition, for the case where X = I the species NH{sub 3}{center dot}HX{sup +} and H{sup +}(NH{sub 4})(HX) are positively observed. Evidently they arise due to the fragmentation of clusters containing more than one HI molecule; H{sup +}(NH{sub 3}){sub 2}HI is the smallest mixed cluster observed to be formed under single collision conditions. These results, along with information contained in the mixed cluster distributions, suggest a replacement reaction mechanism for the formation of the mixed clusters. Evidence is obtained which suggests that a solvated ion pair arises in HI-ammonia clusters containing about 10 NH{sub 3} molecules.

  17. Size-dependent reactions of ammonium bisulfate clusters with dimethylamine.

    PubMed

    Bzdek, Bryan R; Ridge, Douglas P; Johnston, Murray V

    2010-11-04

    The reaction kinetics of ammonium bisulfate clusters with dimethylamine (DMA) gas were investigated using Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS). Clusters ranged in size from 1 to 10 bisulfate ions. Although displacement of the first several ammonium ions by DMA occurred with near unit efficiency, displacement of the final ammonium ion was cluster size dependent. For small clusters, all ammonium ions are exposed to incoming DMA molecules, allowing for facile exchange ("surface" exchange). However, with increasing cluster size, an ammonium ion can be trapped in an inaccessible region of the cluster ("core" exchange), thereby rendering exchange difficult. DMA was also observed to add onto existing dimethylaminium bisulfate clusters above a critical size, whereas ammonia did not add onto ammonium bisulfate clusters. The results suggest that as the cluster size increases, di-dimethylaminium sulfate formation becomes more favorable. The results of this study give further evidence to suggest that ambient sub-3 nm diameter particles are likely to contain aminium salts rather than ammonium salts.

  18. An unusual reaction to cold: a sporadic case of familial polymorphous cold eruption?

    PubMed

    Urano, Y; Shikiji, T; Sasaki, S; Fukuhara, K; Arase, S

    1998-09-01

    A 14-year-old Japanese girl had a lifelong history of skin lesions developing after generalized exposure to cold air; the lesions were often accompanied by systemic symptoms such as fever and chills. The skin lesions were non-pruritic, maculopapular, erythematous eruptions and were neither urticarial nor angioedematous. An ice-cube test was negative. Laboratory examinations showed marked leucocytosis during an acute attack. On the basis of clinical features, histological findings and laboratory data, although these symptoms were sporadic, the most likely diagnosis was familial polymorphous cold eruption, which has also been referred to as familial cold urticaria. Serum levels of granulocyte colony-stimulating factor and interleukin 6 were significantly elevated during an acute attack after cold exposure, suggesting that both cytokines played important parts in the development of her condition.

  19. Catalytic reactions on neutral Rh oxide clusters more efficient than on neutral Rh clusters.

    PubMed

    Yamada, Akira; Miyajima, Ken; Mafuné, Fumitaka

    2012-03-28

    Gas phase catalytic reactions involving the reduction of N(2)O and oxidation of CO were observed at the molecular level on isolated neutral rhodium clusters, Rh(n) (n = 10-28), using mass spectrometry. Sequential oxygen transfer reactions, Rh(n)O(m-1) + N(2)O → Rh(n)O(m) + N(2) (m = 1, 2, 3,…), were monitored and the rate constant for each reaction step was determined as a function of the cluster size. Oxygen extraction reactions by a CO molecule, Rh(n)O(m) + CO → Rh(n)O(m-1) + CO(2) (m = 1, 2, 3,…), were also observed when a small amount of CO was mixed with the reactant N(2)O gas. The rate constants of the oxygen extraction reactions by CO for m ≥ 4 were found to be two or three orders of magnitude higher than the rate constants for m ≤ 3, which indicates that the catalytic reaction proceeds more efficiently when the reaction cycles turn over around Rh(n)O(m) (m ≥ 4) than around bare Rh(n). Rhodium clusters operate as more efficient catalysts when they are oxidized than non- or less-oxidized rhodium clusters, which is consistent with theoretical and experimental studies on the catalytic CO oxidation reaction on a rhodium surface.

  20. Redshift space clustering of galaxies and cold dark matter model

    NASA Technical Reports Server (NTRS)

    Bahcall, Neta A.; Cen, Renyue; Gramann, Mirt

    1993-01-01

    The distorting effect of peculiar velocities on the power speturm and correlation function of IRAS and optical galaxies is studied. The observed redshift space power spectra and correlation functions of IRAS and optical the galaxies over the entire range of scales are directly compared with the corresponding redshift space distributions using large-scale computer simulations of cold dark matter (CDM) models in order to study the distortion effect of peculiar velocities on the power spectrum and correlation function of the galaxies. It is found that the observed power spectrum of IRAS and optical galaxies is consistent with the spectrum of an Omega = 1 CDM model. The problems that such a model currently faces may be related more to the high value of Omega in the model than to the shape of the spectrum. A low-density CDM model is also investigated and found to be consistent with the data.

  1. Redshift space clustering of galaxies and cold dark matter model

    NASA Technical Reports Server (NTRS)

    Bahcall, Neta A.; Cen, Renyue; Gramann, Mirt

    1993-01-01

    The distorting effect of peculiar velocities on the power speturm and correlation function of IRAS and optical galaxies is studied. The observed redshift space power spectra and correlation functions of IRAS and optical the galaxies over the entire range of scales are directly compared with the corresponding redshift space distributions using large-scale computer simulations of cold dark matter (CDM) models in order to study the distortion effect of peculiar velocities on the power spectrum and correlation function of the galaxies. It is found that the observed power spectrum of IRAS and optical galaxies is consistent with the spectrum of an Omega = 1 CDM model. The problems that such a model currently faces may be related more to the high value of Omega in the model than to the shape of the spectrum. A low-density CDM model is also investigated and found to be consistent with the data.

  2. STREAMING COLD COSMIC-RAY BACK-REACTION AND THERMAL INSTABILITIES ALONG THE BACKGROUND MAGNETIC FIELD

    SciTech Connect

    Nekrasov, Anatoly K.; Shadmehri, Mohsen E-mail: nekrasov.anatoly@gmail.com

    2012-09-01

    Using a multi-fluid approach, we investigate the streaming and thermal instabilities of electron-ion-cosmic-ray astrophysical objects in which homogeneous cold cosmic rays have a drift velocity perpendicular to the background magnetic field. One-dimensional perturbations along the magnetic field are considered. The induced return current of the background plasma and back-reaction of cosmic rays are taken into account. It is shown that the cosmic-ray back-reaction results in a streaming instability with considerably higher growth rates than that due to the return current of the background plasma. This increase is by a factor of the square root of the ratio of the background plasma mass density to the cosmic-ray mass density. The maximal growth rate and the corresponding wavenumber are then found. Thermal instability is shown to be not subject to the action of cosmic rays in the model under consideration. The dispersion relation for thermal instability includes ion inertia. In the limit of a fast thermal energy exchange between electrons and ions, the isobaric and isochoric growth rates are obtained. The results can be useful for the investigation of electron-ion astrophysical objects such as galaxy clusters, including the dynamics of streaming cosmic rays.

  3. Response of observables for cold anionic water clusters to cluster thermal history.

    PubMed

    Madarász, Adám; Rossky, Peter J; Turi, László

    2010-02-18

    We have used mixed quantum classical molecular dynamics simulations to explore the role of structural relaxation when binding an excess electron to neutral water clusters. The structural and spectral properties of the water cluster anions were investigated as a function of the size (n = 45 and 104), nominal temperature (T(nom) = 50, 100, and 150 K), and preparation method of the parent neutral clusters. In particular, we consider two different protocols for preparing the initial neutral clusters, which differ markedly in their thermal history. In the first, warm equilibrium neutral clusters are gradually quenched to increasingly lower temperature. In the second, neutral clusters are formed spontaneously at approximately 0 K and then warmed to the same target temperatures, yielding inherently metastable, nonequilibrium structures. Electron attachment to these alternative sets of clusters shows that below a critical temperature (approximately 200 K), the metastable water clusters bind a surface state excess electron significantly more strongly than the quenched, equilibrium clusters. The structural analysis indicates that these cluster anions with larger vertical detachment energies (VDEs) more frequently stabilize the electron by double-acceptor-type water molecules and exhibit a weak temperature dependence of the VDE compared with the quenched clusters. These results suggest that the alternative classes of cluster anions seen experimentally may reflect differences in the thermal history of such clusters.

  4. Nanochemistry - Chemical Reactions of Iron and Benzene Within Molecular Clusters

    NASA Astrophysics Data System (ADS)

    Feigerle, C. S.; Bililign, S.; Miller, John C.

    2000-06-01

    Molecular clusters represent a nanoscale test tube where chemical reactions can be examined in a unique way for the effects of the local environment and the possibility of size-dependent reactions. Previous experiments have shown that the ionization/dissociation of iron pentacarbonyl clusters can lead to the formation of iron ions and iron cluster ions and that these species can further react with dopant molecules to yield chemically rearranged products. The present experiments characterize similar reactions with benzene molecules and clusters. Heteroclusters of the form [Fe(CO)5]m(C6H6)nArp are created in an expanding supersonic jet of the component molecules. Following ionization by a 30 ps, 266 nm laser pulse, extensive dissociation, aggregation, and chemical rearrangement occurs leading to ionic products which are characterized by mass spectrometry. Cluster ions of the type Fem(C6H6)n + are observed as products. The stability of the sandwich form of the ion, Fe(benzene)2 +, is inferred from the data. Evidence for a similar special stability for the double-decker, Fe2(benzene)3 +, is presented.

  5. The Therapist Personal Reaction Questionnaire: A Cluster Analysis.

    ERIC Educational Resources Information Center

    Tryon, Georgiana Shick

    1989-01-01

    Analyzed Therapist Personal Reaction Questionnaire. Participants consisted of 6 practicum trainee graduate students and 208 undergraduate clients. Found two clusters--one related to counselor feelings toward client, one related to counselor feelings toward interview. Results indicated that more attractive clients were seen more frequently and for…

  6. Ionization reactions of ion complexes in mesoscopic water clusters

    NASA Astrophysics Data System (ADS)

    Consta, Styliani; Kapral, Raymond

    1999-12-01

    The free energy and dynamics of the dissociation reactions of the [Na+(Cl-)2] ion complex in mesoscopic water clusters are examined. The free energy surface shows the existence of stable single and double solvent-separated complex species formed from ionization of the stable double-contact ion complex. The reaction occurs on the cluster surface for mesoscale clusters composed of tens of water molecules. Passage between stable species is an activated process but barrier crossing has a large diffusive component so that dynamical corrections to transition state theory are large. The structure of the decay of the time-dependent rate constant reflects the diffusive character of the recrossing dynamics so that a plateau is not established on a 10 ps time scale in contrast to ionization dynamics in bulk fluids.

  7. Cluster description of cold (neutronless) α ternary fission of 252Cf

    NASA Astrophysics Data System (ADS)

    Săndulescu, A.; Carstoiu, F.; Bulboacă, I.; Greiner, W.

    1999-10-01

    A coplanar three body cluster model (two deformed fragments and an α particle) similar to the model used for the description of cold binary fission was employed for the description of cold (neutronless) α accompanied fission of 252Cf. No preformation factors were considered. The three body potential was computed with the help of a double folding potential generated by the M3Y-NN effective interaction and realistic fragment ground state deformations. From the minimum action principle, the α particle trajectory equations, the corresponding ternary barriers, and an approximate WKB expression for the barrier penetrability are obtained. The relative cold ternary yields were calculated as the ratio of the penetrability of a given ternary fragmentation and the sum of the penetrabilities of all possible cold ternary fragmentations. Different scenarios were considered depending on the trajectories of the fragments. It was shown that two regions of cold fragmentation exist, a deformed one corresponding to large fragment deformations and a spherical one around 132Sn, similarly to the case of the cold binary fission of 252Cf. We have shown that for the scenario corresponding to the Lagrange point, where all forces acting on the α particle are in equilibrium, the cold α ternary yields of 252Cf are strongly correlated with the cold binary yields of the daughter nucleus 248Cm into the same heavy fragments. For all other scenarios only the spherical splittings are favored. We concluded that due to the present available experimental data on cold α ternary yields only the Lagrange scenario could describe the cold α ternary fission of 252Cf.

  8. Is Cold Dark Matter Still a Strong Buy? The Lesson From Galaxy Clusters

    NASA Astrophysics Data System (ADS)

    Governato, Fabio; Ghigna, Sebastiano; Moore, Ben

    For the last few years the Cold Dark Matter model (ticker: CDM), has been the dominant theory of structure formation. We briefly review the recent advancements and predictions of the model in the field of galaxy clusters. A new set of very high resolution simulations of galaxy clusters show that they have (1) density profiles with central slopes very close to -1.6 and (2) abundance of subhalos similar to the ones observed in real clusters. These results show a remarkably small cluster to cluster variation and a weak dependence from the particular CDM cosmology chosen (LCDM having ~40% less substructure than SCDM). While still a speculative theory with a high prediction/evidence ratio, subject to strong challenges from observational data and competition from other hierarchical theories, we give CDM a rating of ``market outperform'' and of ``long term BUY''.

  9. Modeling Active Galactic Nucleus Feedback in Cool-core Clusters: The Formation of Cold Clumps

    NASA Astrophysics Data System (ADS)

    Li, Yuan; Bryan, Greg L.

    2014-07-01

    We perform high-resolution (15-30 pc) adaptive mesh simulations to study the impact of momentum-driven active galactic nucleus (AGN) feedback in cool-core clusters, focusing in this paper on the formation of cold clumps. The feedback is jet-driven with an energy determined by the amount of cold gas within 500 pc of the super-massive black hole. When the intracluster medium in the core of the cluster becomes marginally stable to radiative cooling, with the thermal instability to the free-fall timescale ratio t TI/t ff < 3-10, cold clumps of gas start to form along the propagation direction of the AGN jets. By tracing the particles in the simulations, we find that these cold clumps originate from low entropy (but still hot) gas that is accelerated by the jet to outward radial velocities of a few hundred km s-1. This gas is out of hydrostatic equilibrium and so can cool. The clumps then grow larger as they decelerate and fall toward the center of the cluster, eventually being accreted onto the super-massive black hole. The general morphology, spatial distribution, and estimated Hα morphology of the clumps are in reasonable agreement with observations, although we do not fully replicate the filamentary morphology of the clumps seen in the observations, probably due to missing physics.

  10. Modeling active galactic nucleus feedback in cool-core clusters: The formation of cold clumps

    SciTech Connect

    Li, Yuan; Bryan, Greg L.

    2014-07-10

    We perform high-resolution (15-30 pc) adaptive mesh simulations to study the impact of momentum-driven active galactic nucleus (AGN) feedback in cool-core clusters, focusing in this paper on the formation of cold clumps. The feedback is jet-driven with an energy determined by the amount of cold gas within 500 pc of the super-massive black hole. When the intracluster medium in the core of the cluster becomes marginally stable to radiative cooling, with the thermal instability to the free-fall timescale ratio t{sub TI}/t{sub ff} < 3-10, cold clumps of gas start to form along the propagation direction of the AGN jets. By tracing the particles in the simulations, we find that these cold clumps originate from low entropy (but still hot) gas that is accelerated by the jet to outward radial velocities of a few hundred km s{sup –1}. This gas is out of hydrostatic equilibrium and so can cool. The clumps then grow larger as they decelerate and fall toward the center of the cluster, eventually being accreted onto the super-massive black hole. The general morphology, spatial distribution, and estimated Hα morphology of the clumps are in reasonable agreement with observations, although we do not fully replicate the filamentary morphology of the clumps seen in the observations, probably due to missing physics.

  11. Ionization and fragmentation of cold clusters of PAH molecules - collisions with keV ions

    NASA Astrophysics Data System (ADS)

    Holm, A. I. S.; Zettergren, H.; Gatchell, M.; Johansson, H. A. B.; Seitz, F.; Schmidt, H. T.; Rousseau, P.; Ławicki, A.; Capron, M.; Domaracka, A.; Lattouf, E.; Maclot, S.; Maisonny, R.; Chesnel, J.-Y.; Manil, B.; Adoui, L.; Huber, B. A.; Cederquist, H.

    2012-11-01

    We discuss the ionization and fragmentation of isolated monomers and cold clusters of polycyclic aromatic hydrocarbon (PAH) molecules in collisions with keV ions in low or high charge states. With low charge state projectile ions, PAH cluster or monomer targets are thermally excited through electronic stopping processes directly in close peripheral or penetrating collisions while only single or few electrons are removed. With high charge state projectiles, electrons are very effectively removed from both the cluster and the monomer target already at very large distances with very little direct target heating. Singly charged and internally very hot PAH monomers are dominant fragmentation products following collisions between Xe20+ ions and PAH clusters. We suggest that this due to an unusually strong dominance of multiple-ionization over single ionization for PAH clusters interacting with highly charged ions. Here, charge and excitation energy is very rapidly redistributed within the clusters before they Coulomb explode and we suggest that these Coulomb explosions induce strong internal heating in the individual PAH molecules. We thus conclude that PAH cluster fragmentation always dominates strongly for all ionization processes regardless if these are due to interactions with ions in high or low charge states. These findings are discussed in view of simple models for cluster evaporation or single and multiple ionizations of PAH clusters.

  12. Cold Fronts and Gas Sloshing in Galaxy Clusters with Anisotropic Thermal Conduction

    NASA Astrophysics Data System (ADS)

    ZuHone, J. A.; Markevitch, M.; Ruszkowski, M.; Lee, D.

    2013-01-01

    Cold fronts in cluster cool cores should be erased on short timescales by thermal conduction, unless protected by magnetic fields that are "draped" parallel to the front surfaces, suppressing conduction perpendicular to the sloshing fronts. We present a series of MHD simulations of cold front formation in the core of a galaxy cluster with anisotropic thermal conduction, exploring a parameter space of conduction strengths parallel and perpendicular to the field lines. Including conduction has a strong effect on the temperature distribution of the core and the appearance of the cold fronts. Though magnetic field lines are draping parallel to the front surfaces, preventing conduction directly across them, the temperature jumps across the fronts are nevertheless reduced. The geometry of the field is such that the cold gas below the front surfaces can be connected to hotter regions outside via field lines along directions perpendicular to the plane of the sloshing motions and along sections of the front that are not perfectly draped. This results in the heating of this gas below the front on a timescale of a Gyr, but the sharpness of the density and temperature jumps may nevertheless be preserved. By modifying the gas density distribution below the front, conduction may indirectly aid in suppressing Kelvin-Helmholtz instabilities. If conduction along the field lines is unsuppressed, we find that the characteristic sharp jumps seen in Chandra observations of cold front clusters do not form. Therefore, the presence of cold fronts in hot clusters is in contradiction with our simulations with full Spitzer conduction. This suggests that the presence of cold fronts in hot clusters could be used to place upper limits on conduction in the bulk of the intracluster medium. Finally, the combination of sloshing and anisotropic thermal conduction can result in a larger flux of heat to the core than either process in isolation. While still not sufficient to prevent a cooling

  13. COLD FRONTS AND GAS SLOSHING IN GALAXY CLUSTERS WITH ANISOTROPIC THERMAL CONDUCTION

    SciTech Connect

    ZuHone, J. A.; Markevitch, M.; Lee, D.

    2013-01-10

    Cold fronts in cluster cool cores should be erased on short timescales by thermal conduction, unless protected by magnetic fields that are 'draped' parallel to the front surfaces, suppressing conduction perpendicular to the sloshing fronts. We present a series of MHD simulations of cold front formation in the core of a galaxy cluster with anisotropic thermal conduction, exploring a parameter space of conduction strengths parallel and perpendicular to the field lines. Including conduction has a strong effect on the temperature distribution of the core and the appearance of the cold fronts. Though magnetic field lines are draping parallel to the front surfaces, preventing conduction directly across them, the temperature jumps across the fronts are nevertheless reduced. The geometry of the field is such that the cold gas below the front surfaces can be connected to hotter regions outside via field lines along directions perpendicular to the plane of the sloshing motions and along sections of the front that are not perfectly draped. This results in the heating of this gas below the front on a timescale of a Gyr, but the sharpness of the density and temperature jumps may nevertheless be preserved. By modifying the gas density distribution below the front, conduction may indirectly aid in suppressing Kelvin-Helmholtz instabilities. If conduction along the field lines is unsuppressed, we find that the characteristic sharp jumps seen in Chandra observations of cold front clusters do not form. Therefore, the presence of cold fronts in hot clusters is in contradiction with our simulations with full Spitzer conduction. This suggests that the presence of cold fronts in hot clusters could be used to place upper limits on conduction in the bulk of the intracluster medium. Finally, the combination of sloshing and anisotropic thermal conduction can result in a larger flux of heat to the core than either process in isolation. While still not sufficient to prevent a cooling

  14. Considerations on immunization anxiety-related reactions in clusters.

    PubMed

    Palacios, Ricardo

    2014-01-01

    A cluster of adverse events following immunization (AEFI) represents a stress test for an immunization program. The community can suspect on vaccine-related reaction leading to mistrust on the immunization program. An immunization anxiety-related reaction is one of the hypotheses to be tested and can be reasonably accepted when the vaccine-related and immunization error-related reactions are ruled out and no coincidental events can explain the cases. Immunization program approaches widely accepted to understand and respond to adverse events are root-cause analysis and systems analysis. Psychiatric cognitive frame will support the root-cause analysis assigning a causal relationship to individual temporary disorders of the affected vaccinees. Communication will focus on vaccine safety and absence of errors in the immunization program. Systems analysis addresses the whole context considering the fear spread as a systemic threat. Socio-psychological frame offers a broader opportunity to understand and respond to a specific community. Management is based on communication to change community belief in misperceptions of vaccine risks and support the idea of immunization as a causal factor, different from the vaccine. Communities can consider use of psychiatric labels, Mass Psychogenic Illness or Mass Hysteria, as an act of inconsiderateness. Labels like immunization anxiety-related reactions in clusters or collective immunization anxiety-related reactions are recommended to bridge the causal perception of the community with the result of the scientific investigation of the cases.

  15. Knockout driven reactions in complex molecules and their clusters

    NASA Astrophysics Data System (ADS)

    Gatchell, Michael; Zettergren, Henning

    2016-08-01

    Energetic ions lose some of their kinetic energy when interacting with electrons or nuclei in matter. Here, we discuss combined experimental and theoretical studies on such impulse driven reactions in polycyclic aromatic hydrocarbons (PAHs), fullerenes, and pure or mixed clusters of these molecules. These studies show that the nature of excitation is important for how complex molecular systems respond to ion/atom impact. Rutherford-like nuclear scattering processes may lead to prompt atom knockout and formation of highly reactive fragments, while heating of the molecular electron clouds in general lead to formation of more stable and less reactive fragments. In this topical review, we focus on recent studies of knockout driven reactions, and present new calculations of the angular dependent threshold (displacement) energies for such processes in PAHs. The so-formed fragments may efficiently form covalent bonds with neighboring molecules in clusters. These unique molecular growth processes may be important in astrophysical environments such as low velocity shock waves.

  16. Reactions and clustering of water with silica surface.

    PubMed

    Ma, Yuchen; Foster, A S; Nieminen, R M

    2005-04-08

    The interaction between silica surface and water is an important topic in geophysics and materials science, yet little is known about the reaction process. In this study we use first-principles molecular dynamics to simulate the hydrolysis process of silica surface using large cluster models. We find that a single water molecule is stable near the surface but can easily dissociate at three-coordinated silicon atom defect sites in the presence of other water molecules. These extra molecules provide a mechanism for hydrogen transfer from the original water molecule, hence catalyzing the reaction. The two-coordinated silicon atom is inert to the water molecule, and water clusters up to pentamer could be stably adsorbed at this site at room temperature.

  17. Galaxy clusters and cold dark matter - A low-density unbiased universe?

    NASA Technical Reports Server (NTRS)

    Bahcall, Neta A.; Cen, Renyue

    1992-01-01

    Large-scale simulations of a universe dominated by cold dark matter (CDM) are tested against two fundamental properties of clusters of galaxies: the cluster mass function and the cluster correlation function. We find that standard biased CDM models are inconsistent with these observations for any bias parameter b. A low-density, low-bias CDM-type model, with or without a cosmological constant, appears to be consistent with both the cluster mass function and the cluster correlations. The low-density model agrees well with the observed correlation function of the Abell, Automatic Plate Measuring Facility (APM), and Edinburgh-Durham cluster catalogs. The model is in excellent agreement with the observed dependence of the correlation strength on cluster mean separation, reproducing the measured universal dimensionless cluster correlation. The low-density model is also consistent with other large-scale structure observations, including the APM angular galaxy-correlations, and for lambda = 1-Omega with the COBE results of the microwave background radiation fluctuations.

  18. Synthesis of transactinide nuclei in cold fusion reactions using radioactive beams

    SciTech Connect

    Smolanczuk, Robert

    2010-06-15

    Chances of synthesis of transactinide nuclei in cold fusion reactions (one-neutron-out reactions) using radioactive beams are evaluated. Because in most of the cases intensities of radioactive beams are significantly less than those of the stable beams, reactions with the greatest radioactive-beam intensities for the particular elements are considered. The results are compared with the recent ones obtained by Loveland [Phys. Rev. C 76, 014612 (2007)], who investigated the same nuclei.

  19. Combustion Synthesis Reaction Behavior of Cold-Rolled Ni/Al and Ti/Al Multilayers

    DTIC Science & Technology

    2011-04-01

    6   Figure 4 . Combustion synthesis process of the cold-rolled Ni/Al multilayer foils: (a) reaction front of the displacement of the reaction...Reactive Nanostructured Foil Used as a Heat Source for Joining Titanium . J. Appl. Phys. 2004, 96 ( 4 ), 2336–2342. 16. Wang, J.; Besnoin, E...2011 2. REPORT TYPE Final 3. DATES COVERED (From - To) January 2006–January 2008 4 . TITLE AND SUBTITLE Combustion Synthesis Reaction Behavior of

  20. The peculiar velocities of rich clusters in the hot and cold dark matter scenarios

    NASA Technical Reports Server (NTRS)

    Rhee, George F.; West, Michael J.; Villumsen, Jens V.

    1993-01-01

    We present the results of a study of the peculiar velocities of rich clusters of galaxies. The peculiar motion of rich clusters in various cosmological scenarios is of interest for a number of reasons. Observationally, one can measure the peculiar motion of clusters to greater distances than galaxies because cluster peculiar motions can be determined to greater accuracy. One can also test the slope of distance indicator relations using clusters to see if galaxy properties vary with environment. We have used N-body simulations to measure the amplitude and rms cluster peculiar velocity as a function of bias parameter in the hot and cold dark matter scenarios. In addition to measuring the mean and rms peculiar velocity of clusters in the two models, we determined whether the peculiar velocity vector of a given cluster is well aligned with the gravity vector due to all the particles in the simulation and the gravity vector due to the particles present only in the clusters. We have investigated the peculiar velocities of rich clusters of galaxies in the cold dark matter and hot dark matter galaxy formation scenarios. We have derived peculiar velocities and associated errors for the scenarios using four values of the bias parameter ranging from b = 1 to b = 2.5. The growth of the mean peculiar velocity with scale factor has been determined and compared to that predicted by linear theory. In addition, we have compared the orientation of force and velocity in these simulations to see if a program such as that proposed by Bertschinger and Dekel (1989) for elliptical galaxy peculiar motions can be applied to clusters. The method they describe enables one to recover the density field from large scale redshift distance samples. The method makes it possible to do this when only radial velocities are known by assuming that the velocity field is curl free. Our analysis suggests that this program if applied to clusters is only realizable for models with a low value of the bias

  1. Basic distinctions between cold- and hot-fusion reactions in the synthesis of superheavy elements

    NASA Astrophysics Data System (ADS)

    Nasirov, A. K.; Muminov, A. I.; Giardina, G.; Mandaglio, G.

    2014-07-01

    Superheavy elements (SHE) of charge number in the range of Z = 106-112 were synthesized in so-called cold-fusion reactions. The smallness of the excitation energy of compound nuclei is the main advantage of cold-fusion reactions. However, the synthesis of SHEs of charge number in the region of Z ≥ 112 is strongly complicated in cold-fusion reactions by a sharp decrease in the cross section of a compound nucleus formation in the entrance channel because of superiority of quasifission in the competition with complete fusion. Two favorable circumstances contributed to the success of the experiments aimed at the synthesis of the Z = 113-118 elements and performed at the Laboratory of Nuclear Reactions at the Joint Institute for Nuclear Research: large cross sections for the production of a compound nucleus, which are characteristic of hot-fusion reactions, and an increase in the fission barrier for nuclei toward the stability island. The factor that complicates the formation of a compound nucleus in cold-fusion reactions is discussed.

  2. Dielectron attachment and hydrogen evolution reaction in water clusters.

    PubMed

    Barnett, Robert N; Giniger, Rina; Cheshnovsky, Ori; Landman, Uzi

    2011-06-30

    Binding of excess electrons to nanosize water droplets, with a focus on the hitherto largely unexplored properties of doubly-charged clusters, were investigated experimentally using mass spectrometry and theoretically with large-scale first-principles simulations based on spin-density-functional theory, with all the valence electrons (that is, 8e per water molecule) and excess electrons treated quantum mechanically. Singly-charged clusters (H(2)O)(n)(-1) were detected for n = 6-250, and our calculated vertical detachment energies agree with previously measured values in the entire range 15 ≤ n ≤ 105, giving a consistent interpretation in terms of internal, surface and diffuse states of the excess electron. Doubly-charged clusters were measured in the range of 83 ≤ n ≤ 123, with (H(2)O)(n)(-2) clusters found for 83 ≤ n < 105, and mass-shifted peaks corresponding to (H(2)O)(n-2)(OH(-))(2) detected for n ≥ 105. The simulations revealed surface and internal dielectron, e(-)(2), localization modes and elucidated the mechanism of the reaction (H(2)O)(n)(-2) → (H(2)O)(n-2) (OH(-))(2) + H(2) (for n ≥ 105), which was found to occur via concerted approach of a pair of protons belonging to two water molecules located in the first shell of the dielectron internal hydration cavity, culminating in formation of a hydrogen molecule 2H(+) + e(-)(2) → H(2). Instability of the dielectron internal localization impedes the reaction for smaller (n < 105) doubly-charged clusters.

  3. A Lagrangian analysis of cold cloud clusters and their life cycles with satellite observations

    NASA Astrophysics Data System (ADS)

    Esmaili, Rebekah Bradley; Tian, Yudong; Vila, Daniel Alejandro; Kim, Kyu-Myong

    2016-10-01

    Cloud movement and evolution signify the complex water and energy transport in the atmosphere-ocean-land system. Detecting, clustering, and tracking clouds as semicoherent clusters enable study of their evolution which can complement climate model simulations and enhance satellite retrieval algorithms, where there are gaps between overpasses. Using a cluster tracking algorithm, in this study we examine the trajectories, size, and brightness temperature of millions of cloud clusters over their lifespan, from infrared satellite observations at 30 min, 4 km resolution, for a period of 11 years. We found that the majority of cold clouds were both small and short lived and that their frequency and location are influenced by El Niño. Also, this large sample of individually tracked clouds shows their horizontal size and temperature evolution. Long-lived clusters tended to achieve their temperature and size maturity milestones at different times, while these stages often occurred simultaneously in short-lived clusters. On average, clusters with this lag also exhibited a greater rainfall contribution than those where minimum temperature and maximum size stages occurred simultaneously. Furthermore, by examining the diurnal cycle of cluster development over Africa and the Indian subcontinent, we observed differences in the local timing of the maximum occurrence at different life cycle stages. Over land there was a strong diurnal peak in the afternoon, while over the ocean there was a semidiurnal peak composed of longer-lived clusters in the early morning hours and shorter-lived clusters in the afternoon. Building on regional specific work, this study provides a global long-term survey of object-based cloud characteristics.

  4. Dissolution, speciation, and reaction of acetaldehyde in cold sulfuric acid

    NASA Astrophysics Data System (ADS)

    Michelsen, Rebecca R.; Ashbourn, Samantha F. M.; Iraci, Laura T.

    2004-12-01

    The uptake of gas-phase acetaldehyde [CH3CHO, ethanal] by aqueous sulfuric acid solutions was studied under upper tropospheric/lower stratospheric (UT/LS) conditions. The solubility of acetaldehyde was found to be low, between 2 × 102 M atm-1 and 1.5 × 105 M atm-1 under the ranges of temperature (211-241 K) and acid composition (39-76 weight percent, wt%, H2SO4) studied. Under most conditions, acetaldehyde showed simple solubility behavior when exposed to sulfuric acid. Under moderately acidic conditions (usually 47 wt% H2SO4), evidence of reaction was observed. Enhancement of uptake at long times was occasionally detected in conjunction with reaction. The source of these behaviors and the effect of acetaldehyde speciation on solubility are discussed. Implications for the uptake of oxygenated organic compounds by tropospheric aerosols are considered.

  5. Formation of superheavy elements in cold fusion reactions

    NASA Astrophysics Data System (ADS)

    Smolańczuk, Robert

    2001-04-01

    We calculate the formation cross sections of transactinides (superheavy elements), as well as heavy actinides (No and Lr), which have been or might be obtained in fusion reactions with the evaporation of only one neutron. We use both more realistic fusion barrier and survival probability of the compound nucleus in comparison with the original phenomenological model [Phys. Rev. C 59, 2634 (1999)] that prompted the Berkeley experiment on the synthesis of a new superheavy element 118 [Phys. Rev. Lett. 83, 1104 (1999)]. Calculations are performed for asymmetric and symmetric target-projectile combinations and for reactions with stable and radioactive-ion beams. The formation cross sections measured at GSI-Darmstadt for transactinides and heavy actinides, as well as that for superheavy element 118 reported by the LBNL-Berkeley group, are reproduced within a factor of 2.4, on average. Based on the obtained relatively large cross sections, we predict that optimal reactions with stable beams for the synthesis of so far unobserved superheavy elements 119, 120, and 121 are 209Bi(86Kr, 1n)294119, 208Pb(88Sr, 1n)295120, and 209Bi(88Sr, 1n)296121, respectively. This is because of the magic of both the target and the projectile that leads to larger Q value and, consequently, lower effective fusion barrier with larger transmission probability. The same effect is responsible for relatively large cross sections predicted for the symmetric reactions 136Xe(124Sn, 1n)259Rf, 136Xe(136Xe, 1n)271Hs,138Ba(136Xe, 1n)273110, and 140Ce(136Xe, 1n)275112. Although shell effects in the magic nuclei 124Sn, 136Xe, 138Ba, and 140Ce are not as strong as in 208Pb and 209Bi, they act on both the target and the projectile and lead to the prediction of measurable cross sections.

  6. Cool Core Cycles: Cold Gas and AGN Jet Feedback in Cluster Cores

    NASA Astrophysics Data System (ADS)

    Prasad, Deovrat; Sharma, Prateek; Babul, Arif

    2015-10-01

    Using high-resolution 3D and 2D (axisymmetric) hydrodynamic simulations in spherical geometry, we study the evolution of cool cluster cores heated by feedback-driven bipolar active galactic nuclei (AGNs) jets. Condensation of cold gas, and the consequent enhanced accretion, is required for AGN feedback to balance radiative cooling with reasonable efficiencies, and to match the observed cool core properties. A feedback efficiency (mechanical luminosity ≈ ɛ {\\dot{M}}{{acc}}{c}2; where {\\dot{M}}{{acc}} is the mass accretion rate at 1 kpc) as small as 6 × 10-5 is sufficient to reduce the cooling/accretion rate by ˜10 compared to a pure cooling flow in clusters (with {M}200≲ 7× {10}14 {M}⊙ ). This value is much smaller compared to the ones considered earlier, and is consistent with the jet efficiency and the fact that only a small fraction of gas at 1 kpc is accreted onto the supermassive black hole (SMBH). The feedback efficiency in earlier works was so high that the cluster core reached equilibrium in a hot state without much precipitation, unlike what is observed in cool-core clusters. We find hysteresis cycles in all our simulations with cold mode feedback: condensation of cold gas when the ratio of the cooling-time to the free-fall time ({t}{{cool}}/{t}{{ff}}) is ≲10 leads to a sudden enhancement in the accretion rate; a large accretion rate causes strong jets and overheating of the hot intracluster medium such that {t}{{cool}}/{t}{{ff}}\\gt 10; further condensation of cold gas is suppressed and the accretion rate falls, leading to slow cooling of the core and condensation of cold gas, restarting the cycle. Therefore, there is a spread in core properties, such as the jet power, accretion rate, for the same value of core entropy or {t}{{cool}}/{t}{{ff}}. A smaller number of cycles is observed for higher efficiencies and for lower mass halos because the core is overheated to a longer cooling time. The 3D simulations show the formation of a few-kpc scale

  7. Formation of superheavy elements in cold fusion reactions

    SciTech Connect

    Smolanczuk, Robert

    2001-04-01

    We calculate the formation cross sections of transactinides (superheavy elements), as well as heavy actinides (No and Lr), which have been or might be obtained in fusion reactions with the evaporation of only one neutron. We use both more realistic fusion barrier and survival probability of the compound nucleus in comparison with the original phenomenological model [Phys. Rev. C 59, 2634 (1999)] that prompted the Berkeley experiment on the synthesis of a new superheavy element 118 [Phys. Rev. Lett. 83, 1104 (1999)]. Calculations are performed for asymmetric and symmetric target-projectile combinations and for reactions with stable and radioactive-ion beams. The formation cross sections measured at GSI-Darmstadt for transactinides and heavy actinides, as well as that for superheavy element 118 reported by the LBNL-Berkeley group, are reproduced within a factor of 2.4, on average. Based on the obtained relatively large cross sections, we predict that optimal reactions with stable beams for the synthesis of so far unobserved superheavy elements 119, 120, and 121 are {sup 209}Bi({sup 86}Kr, 1n){sup 294}119, {sup 208}Pb({sup 88}Sr, 1n){sup 295}120, and {sup 209}Bi({sup 88}Sr, 1n){sup 296}121, respectively. This is because of the magic of both the target and the projectile that leads to larger Q value and, consequently, lower effective fusion barrier with larger transmission probability. The same effect is responsible for relatively large cross sections predicted for the symmetric reactions {sup 136}Xe({sup 124}Sn, 1n){sup 259}Rf, {sup 136}Xe({sup 136}Xe, 1n){sup 271}Hs,{sup 138}Ba({sup 136}Xe, 1n){sup 273}110, and {sup 140}Ce({sup 136}Xe, 1n){sup 275}112. Although shell effects in the magic nuclei {sup 124}Sn, {sup 136}Xe, {sup 138}Ba, and {sup 140}Ce are not as strong as in {sup 208}Pb and {sup 209}Bi, they act on both the target and the projectile and lead to the prediction of measurable cross sections.

  8. Cold Urticaria

    MedlinePlus

    ... throat when consuming cold food or drink Severe reactions may include: A whole-body response (anaphylaxis), which ... to cold water. The majority of cold urticaria reactions occur when skin is exposed to temperatures lower ...

  9. Progress towards antihydrogen production by the reaction of cold antiprotons with positronium atoms

    SciTech Connect

    Charlton, M.; Laricchia, G.; Deutch, B.I.

    1995-03-01

    An experiment aimed at producing antihydrogen atoms by the reaction of cold antiprotons stored in a Penning trap with injected ground state positronium atoms is described. The apparatus developed in an attempt to observe the charge conjugate reaction using proton projectiles is discussed. Technically feasible upgrades to this apparatus are identified which may allow, in conjunction with the PS200 trap, antihydrogen production at LEAR.

  10. THE EFFECT OF ANISOTROPIC VISCOSITY ON COLD FRONTS IN GALAXY CLUSTERS

    SciTech Connect

    ZuHone, J. A.; Markevitch, M.; Biffi, V.

    2015-01-10

    Cold fronts—contact discontinuities in the intracluster medium (ICM) of galaxy clusters—should be disrupted by Kelvin-Helmholtz (K-H) instabilities due to the associated shear velocity. However, many observed cold fronts appear stable. This opens the possibility of placing constraints on microphysical mechanisms that stabilize them, such as the ICM viscosity and/or magnetic fields. We performed exploratory high-resolution simulations of cold fronts arising from subsonic gas sloshing in cluster cores using the grid-based Athena MHD code, comparing the effects of isotropic Spitzer and anisotropic Braginskii viscosity (expected in a magnetized plasma). Magnetized simulations with full Braginskii viscosity or isotropic Spitzer viscosity reduced by a factor f ∼ 0.1 are both in qualitative agreement with observations in terms of suppressing K-H instabilities. The rms velocity of turbulence within the sloshing region is only modestly reduced by Braginskii viscosity. We also performed unmagnetized simulations with and without viscosity and find that magnetic fields have a substantial effect on the appearance of the cold fronts, even if the initial field is weak and the viscosity is the same. This suggests that determining the dominant suppression mechanism of a given cold front from X-ray observations (e.g., viscosity or magnetic fields) by comparison with simulations is not straightforward. Finally, we performed simulations including anisotropic thermal conduction, and find that including Braginskii viscosity in these simulations does not significantly affect the evolution of cold fronts; they are rapidly smeared out by thermal conduction, as in the inviscid case.

  11. Tumor necrosis factor-alpha release during systemic reaction in cold urticaria.

    PubMed

    Tillie-Leblond, I; Gosset, P; Janin, A; Dalenne, R; Joseph, M; Wallaert, B; Tonnel, A B

    1994-02-01

    Primary cold urticaria (PCU) characterized by the association of urticaria, angioedema, and sometimes a shock-like reaction after cold exposure, is usually considered to be linked with histamine and prostaglandin D2 release by mast cells. To determine the involvement of cytokines, we studied the release of tumor necrosis factor-alpha (TNF-alpha) in the blood of the efferent vein after immersion of the hand in chilled water. Five patients with PCU were compared with a control population (three patients with nonphysical urticaria and three healthy subjects). Among patients with PCU who underwent the cold immersion test, two exhibited a shock-like reaction with a large urticarial plaque (patients 1 and 2), one had only a mild cutaneous reaction, and two had no reaction. Patient 1 was reevaluated after 6 months of treatment with H1 and H2 antihistamines: he did not respond to this challenge. All controls were strictly negative. Histamine was released within the first minute after the challenge in the three patients with PCU, but at a higher level for the two patients who had a systemic reaction. TNF-alpha was undetectable in the blood of the patient with only a mild cutaneous reaction, whereas TNF-alpha release was observed for the two patients with a systemic reaction, 2 and 6 minutes after the end of the cold immersion test. The two other patients and the control subjects released neither histamine nor TNF-alpha. In parallel, pathologic and immunohistochemical (with a rabbit anti-TNF-alpha antibody) studies were performed on skin biopsy specimens collected 10 minutes after ice-cube test.(ABSTRACT TRUNCATED AT 250 WORDS)

  12. Cross sections calculated for cold fusion reactions for producing superheavy nuclei

    NASA Astrophysics Data System (ADS)

    Smolańczuk, Robert

    2008-08-01

    We propose a handy formula for calculating the formation cross sections for optimal bombarding energies for transactinides (superheavy elements). By means of the proposed formula the cross sections for asymmetric and symmetric cold fusion reactions (one-neutron-out reactions) are calculated. The fusion barrier and its position are calculated by using the folding heavy-ion potential that for spherical reaction partners has the form of a seventh-order polynomial of the radial coordinate with built-in dependence on the thickness of the nuclear surface, as well as on the separation energy of the least bound nucleon. Possibilities of further experimental exploitation of cold fusion in producing the superheavy nuclei are briefly discussed.

  13. Possibilities for synthesis of new isotopes of superheavy nuclei in cold fusion reactions

    NASA Astrophysics Data System (ADS)

    Bao, X. J.; Gao, Y.; Li, J. Q.; Zhang, H. F.

    2016-04-01

    In order to find a way to produce superheavy nuclei (SHN), which appear in the gap between the SHN synthesized by cold fusion and those by hot fusion, or those so far not yet been produced in the laboratory, we tried to make use of a set of projectile isotopic chains, to use a radioactive beam projectile, and to test symmetric fusion reactions for gaining more neutrons to synthesize neutron-richer SHN based on the dinuclear system (DNS) model via cold fusion reactions. It is found that the nuclei 265Mt,Ds,272268,273Rg, and 274,275,276Cn may be produced with the detectable evaporation residual cross sections. The intensities of radioactive beams are significantly less than those of the stable beams, therefore using a stable beam is predicted to be the most favorable method for producing SHN. From the symmetric reaction system 136Xe+136Xe , no fusion event was found.

  14. Cross sections calculated for cold fusion reactions for producing superheavy nuclei

    SciTech Connect

    Smolanczuk, Robert

    2008-08-15

    We propose a handy formula for calculating the formation cross sections for optimal bombarding energies for transactinides (superheavy elements). By means of the proposed formula the cross sections for asymmetric and symmetric cold fusion reactions (one-neutron-out reactions) are calculated. The fusion barrier and its position are calculated by using the folding heavy-ion potential that for spherical reaction partners has the form of a seventh-order polynomial of the radial coordinate with built-in dependence on the thickness of the nuclear surface, as well as on the separation energy of the least bound nucleon. Possibilities of further experimental exploitation of cold fusion in producing the superheavy nuclei are briefly discussed.

  15. Synthesis of transactinide nuclei in cold fusion reactions using radioactive beams

    NASA Astrophysics Data System (ADS)

    Smolańczuk, Robert

    2010-06-01

    Chances of synthesis of transactinide nuclei in cold fusion reactions (one-neutron-out reactions) using radioactive beams are evaluated. Because in most of the cases intensities of radioactive beams are significantly less than those of the stable beams, reactions with the greatest radioactive-beam intensities for the particular elements are considered. The results are compared with the recent ones obtained by Loveland [Phys. Rev. CPRVCAN0556-281310.1103/PhysRevC.76.014612 76, 014612 (2007)], who investigated the same nuclei.

  16. Temporal relationships between colds, upper respiratory viruses detected by polymerase chain reaction, and otitis media in young children followed through a typical cold season.

    PubMed

    Winther, Birgit; Alper, Cuneyt M; Mandel, Ellen M; Doyle, William J; Hendley, J Owen

    2007-06-01

    Otitis media is a frequent complication of a viral upper respiratory tract infection, and the reported co-incidence of those diseases increases with assay sensitivity and sampling density. We determined the incidence of otitis-media complications in young children when referenced to cold-like illnesses and to concurrent virus recovery from the nasopharynx. A total of 60 children from 24 families were followed from October 2003 through April 30, 2004, by daily parental recording of illness signs, weekly pneumatic otoscopic examinations, and periodic polymerase chain reaction assay of collected nasal fluids for common viruses. One hundred ninety-nine cold-like illnesses were observed, but a sample for virus assay was not collected concurrent with 71 episodes. Of the remainder, 73% of cold-like illnesses were temporally related to recovery of 1 or a combination of the assayed viruses, with rhinovirus predominating. For non-cold-like illness periods, 54 (18%) of 297 assays were positive for virus, and the virus frequency distribution was similar to that for cold-like illnesses. There were 93 diagnosed otitis-media episodes; 65 (70%) of these occurred during a cold-like illness. For the 79 otitis-media episodes with available nasal samples, 61 (77%) were associated with a positive virus result. In this population, the otitis-media complication rate for a cold-like illness was 33%. A cold-like illness was not a prerequisite for polymerase chain reaction detection of viruses in the nose and nasopharynx of young children. Viral detection by polymerase chain reaction in the absence of a cold-like illness is associated with complications in some subjects. Otitis media is a complication of viral infection both with and without concurrent cold-like illnesses, thus downwardly biasing coincidence estimates that use cold-based illnesses as the denominator.

  17. Cosmology and astrophysics from relaxed galaxy clusters - V. Consistency with cold dark matter structure formation

    NASA Astrophysics Data System (ADS)

    Mantz, A. B.; Allen, S. W.; Morris, R. G.

    2016-10-01

    This is the fifth in a series of papers studying the astrophysics and cosmology of massive, dynamically relaxed galaxy clusters. Our sample comprises 40 clusters identified as being dynamically relaxed and hot in Papers I and II of this series. Here we use constraints on cluster mass profiles from X-ray data to test some of the basic predictions of cosmological structure formation in the cold dark matter (CDM) paradigm. We present constraints on the concentration-mass relation for massive clusters, finding a power-law mass dependence with a slope of κm = -0.16 ± 0.07, in agreement with CDM predictions. For this relaxed sample, the relation is consistent with a constant as a function of redshift (power-law slope with 1 + z of κζ = -0.17 ± 0.26), with an intrinsic scatter of σln c = 0.16 ± 0.03. We investigate the shape of cluster mass profiles over the radial range probed by the data (typically ˜50 kpc-1 Mpc), and test for departures from the simple Navarro-Frenk-White (NFW) form, for which the logarithmic slope of the density profile tends to -1 at small radii. Specifically, we consider as alternatives the generalized NFW (GNFW) and Einasto parametrizations. For the GNFW model, we find an average value of (minus) the logarithmic inner slope of β = 1.02 ± 0.08, with an intrinsic scatter of σβ = 0.22 ± 0.07, while in the Einasto case we constrain the average shape parameter to be α = 0.29 ± 0.04 with an intrinsic scatter of σα = 0.12 ± 0.04. Our results are thus consistent with the simple NFW model on average, but we clearly detect the presence of intrinsic, cluster-to-cluster scatter about the average.

  18. Cosmology and astrophysics from relaxed galaxy clusters – V. Consistency with cold dark matter structure formation

    SciTech Connect

    Mantz, A. B.; Allen, S. W.; Morris, R. G.

    2016-07-15

    This is the fifth in a series of papers studying the astrophysics and cosmology of massive, dynamically relaxed galaxy clusters. Our sample comprises 40 clusters identified as being dynamically relaxed and hot in Papers I and II of this series. Here we use constraints on cluster mass profiles from X-ray data to test some of the basic predictions of cosmological structure formation in the cold dark matter (CDM) paradigm. We present constraints on the concentration–mass relation for massive clusters, finding a power-law mass dependence with a slope of κm = -0.16 ± 0.07, in agreement with CDM predictions. For this relaxed sample, the relation is consistent with a constant as a function of redshift (power-law slope with 1 + z of κζ = -0.17 ± 0.26), with an intrinsic scatter of σln c = 0.16 ± 0.03. We investigate the shape of cluster mass profiles over the radial range probed by the data (typically ~50 kpc–1 Mpc), and test for departures from the simple Navarro–Frenk–White (NFW) form, for which the logarithmic slope of the density profile tends to -1 at small radii. Specifically, we consider as alternatives the generalized NFW (GNFW) and Einasto parametrizations. For the GNFW model, we find an average value of (minus) the logarithmic inner slope of β = 1.02 ± 0.08, with an intrinsic scatter of σβ = 0.22 ± 0.07, while in the Einasto case we constrain the average shape parameter to be α = 0.29 ± 0.04 with an intrinsic scatter of σα = 0.12 ± 0.04. Our results are thus consistent with the simple NFW model on average, but we clearly detect the presence of intrinsic, cluster-to-cluster scatter about the average.

  19. Cosmology and astrophysics from relaxed galaxy clusters – V. Consistency with cold dark matter structure formation

    DOE PAGES

    Mantz, A. B.; Allen, S. W.; Morris, R. G.

    2016-07-15

    This is the fifth in a series of papers studying the astrophysics and cosmology of massive, dynamically relaxed galaxy clusters. Our sample comprises 40 clusters identified as being dynamically relaxed and hot in Papers I and II of this series. Here we use constraints on cluster mass profiles from X-ray data to test some of the basic predictions of cosmological structure formation in the cold dark matter (CDM) paradigm. In addition, we present constraints on the concentration–mass relation for massive clusters, finding a power-law mass dependence with a slope of κm = –0.16 ± 0.07, in agreement with CDM predictions.more » For this relaxed sample, the relation is consistent with a constant as a function of redshift (power-law slope with 1 + z of κζ = –0.17 ± 0.26), with an intrinsic scatter of σln c = 0.16 ± 0.03. We investigate the shape of cluster mass profiles over the radial range probed by the data (typically ~50 kpc–1 Mpc), and test for departures from the simple Navarro–Frenk–White (NFW) form, for which the logarithmic slope of the density profile tends to –1 at small radii. Specifically, we consider as alternatives the generalized NFW (GNFW) and Einasto parametrizations. For the GNFW model, we find an average value of (minus) the logarithmic inner slope of β = 1.02 ± 0.08, with an intrinsic scatter of σβ = 0.22 ± 0.07, while in the Einasto case we constrain the average shape parameter to be α = 0.29 ± 0.04 with an intrinsic scatter of σα = 0.12 ± 0.04. Our results are thus consistent with the simple NFW model on average, but we clearly detect the presence of intrinsic, cluster-to-cluster scatter about the average.« less

  20. Deep Chandra Observation and Numerical Studies of the Nearest Cluster Cold Front in the Sky

    NASA Technical Reports Server (NTRS)

    Werner, N.; ZuHone, J. A.; Zhuravleva, I.; Ichinohe, Y.; Simionescu, A.; Allen, S. W.; Markevitch, M.; Fabian, A. C.; Keshet, U.; Roediger, E.; Ruszkowski, M.; Sanders, J. S.

    2015-01-01

    We present the results of a very deep (500 ks) Chandra observation, along with tailored numerical simulations, of the nearest, best resolved cluster cold front in the sky, which lies 90 kpc (19 arcmin) to the north-west of M87. The northern part of the front appears the sharpest, with a width smaller than 2.5 kpc (1.5 Coulomb mean free paths; at 99 per cent confidence). Everywhere along the front, the temperature discontinuity is narrower than 4-8 kpc and the metallicity gradient is narrower than 6 kpc, indicating that diffusion, conduction and mixing are suppressed across the interface. Such transport processes can be naturally suppressed by magnetic fields aligned with the cold front. Interestingly, comparison to magnetohydrodynamic simulations indicates that in order to maintain the observed sharp density and temperature discontinuities, conduction must also be suppressed along the magnetic field lines. However, the northwestern part of the cold front is observed to have a non-zero width. While other explanations are possible, the broadening is consistent with the presence of Kelvin-Helmholtz instabilities (KHI) on length-scales of a few kpc. Based on comparison with simulations, the presence of KHI would imply that the effective viscosity of the intracluster medium is suppressed by more than an order of magnitude with respect to the isotropic Spitzer-like temperature dependent viscosity. Underneath the cold front, we observe quasi-linear features that are approximately 10 per cent brighter than the surrounding gas and are separated by approximately 15 kpc from each other in projection. Comparison to tailored numerical simulations suggests that the observed phenomena may be due to the amplification of magnetic fields by gas sloshing in wide layers below the cold front, where the magnetic pressure reaches approximately 5-10 per cent of the thermal pressure, reducing the gas density between the bright features.

  1. Deep Chandra observation and numerical studies of the nearest cluster cold front in the sky

    NASA Astrophysics Data System (ADS)

    Werner, N.; ZuHone, J. A.; Zhuravleva, I.; Ichinohe, Y.; Simionescu, A.; Allen, S. W.; Markevitch, M.; Fabian, A. C.; Keshet, U.; Roediger, E.; Ruszkowski, M.; Sanders, J. S.

    2016-01-01

    We present the results of a very deep (500 ks) Chandra observation, along with tailored numerical simulations, of the nearest, best resolved cluster cold front in the sky, which lies 90 kpc (19 arcmin) to the north-west of M 87. The northern part of the front appears the sharpest, with a width smaller than 2.5 kpc (1.5 Coulomb mean free paths; at 99 per cent confidence). Everywhere along the front, the temperature discontinuity is narrower than 4-8 kpc and the metallicity gradient is narrower than 6 kpc, indicating that diffusion, conduction and mixing are suppressed across the interface. Such transport processes can be naturally suppressed by magnetic fields aligned with the cold front. Interestingly, comparison to magnetohydrodynamic simulations indicates that in order to maintain the observed sharp density and temperature discontinuities, conduction must also be suppressed along the magnetic field lines. However, the northwestern part of the cold front is observed to have a non-zero width. While other explanations are possible, the broadening is consistent with the presence of Kelvin-Helmholtz instabilities (KHI) on length-scales of a few kpc. Based on comparison with simulations, the presence of KHI would imply that the effective viscosity of the intracluster medium is suppressed by more than an order of magnitude with respect to the isotropic Spitzer-like temperature dependent viscosity. Underneath the cold front, we observe quasi-linear features that are ˜10 per cent brighter than the surrounding gas and are separated by ˜15 kpc from each other in projection. Comparison to tailored numerical simulations suggests that the observed phenomena may be due to the amplification of magnetic fields by gas sloshing in wide layers below the cold front, where the magnetic pressure reaches ˜5-10 per cent of the thermal pressure, reducing the gas density between the bright features.

  2. Deep Chandra Observation and Numerical Studies of the Nearest Cluster Cold Front in the Sky

    NASA Technical Reports Server (NTRS)

    Werner, N.; ZuHone, J. A.; Zhuravleva, I.; Ichinohe, Y.; Simionescu, A.; Allen, S. W.; Markevitch, M.; Fabian, A. C.; Keshet, U.; Roediger, E.; hide

    2015-01-01

    We present the results of a very deep (500 ks) Chandra observation, along with tailored numerical simulations, of the nearest, best resolved cluster cold front in the sky, which lies 90 kpc (19 arcmin) to the north-west of M87. The northern part of the front appears the sharpest, with a width smaller than 2.5 kpc (1.5 Coulomb mean free paths; at 99 per cent confidence). Everywhere along the front, the temperature discontinuity is narrower than 4-8 kpc and the metallicity gradient is narrower than 6 kpc, indicating that diffusion, conduction and mixing are suppressed across the interface. Such transport processes can be naturally suppressed by magnetic fields aligned with the cold front. Interestingly, comparison to magnetohydrodynamic simulations indicates that in order to maintain the observed sharp density and temperature discontinuities, conduction must also be suppressed along the magnetic field lines. However, the northwestern part of the cold front is observed to have a non-zero width. While other explanations are possible, the broadening is consistent with the presence of Kelvin-Helmholtz instabilities (KHI) on length-scales of a few kpc. Based on comparison with simulations, the presence of KHI would imply that the effective viscosity of the intracluster medium is suppressed by more than an order of magnitude with respect to the isotropic Spitzer-like temperature dependent viscosity. Underneath the cold front, we observe quasi-linear features that are approximately 10 per cent brighter than the surrounding gas and are separated by approximately 15 kpc from each other in projection. Comparison to tailored numerical simulations suggests that the observed phenomena may be due to the amplification of magnetic fields by gas sloshing in wide layers below the cold front, where the magnetic pressure reaches approximately 5-10 per cent of the thermal pressure, reducing the gas density between the bright features.

  3. Dynamics and Magnetization in Galaxy Cluster Cores Traced by X-ray Cold Fronts

    NASA Astrophysics Data System (ADS)

    Keshet, Uri; Markevitch, Maxim; Birnboim, Yuval; Loeb, Abraham

    2010-08-01

    Cold fronts (CFs)—density and temperature plasma discontinuities—are ubiquitous in cool cores of galaxy clusters, where they appear as X-ray brightness edges in the intracluster medium, nearly concentric with the cluster center. We analyze the thermodynamic profiles deprojected across core CFs found in the literature. While the pressure appears continuous across these CFs, we find that all of them require significant centripetal acceleration beneath the front. This is naturally explained by a tangential, nearly sonic bulk flow just below the CF, and a tangential shear flow involving a fair fraction of the plasma beneath the front. Such shear should generate near-equipartition magnetic fields on scales lsim50pc from the front and could magnetize the entire core. Such fields would explain the apparent stability of cool core CFs and the recently reported CF-radio minihalo association.

  4. DYNAMICS AND MAGNETIZATION IN GALAXY CLUSTER CORES TRACED BY X-RAY COLD FRONTS

    SciTech Connect

    Keshet, Uri; Markevitch, Maxim; Birnboim, Yuval; Loeb, Abraham

    2010-08-10

    Cold fronts (CFs)-density and temperature plasma discontinuities-are ubiquitous in cool cores of galaxy clusters, where they appear as X-ray brightness edges in the intracluster medium, nearly concentric with the cluster center. We analyze the thermodynamic profiles deprojected across core CFs found in the literature. While the pressure appears continuous across these CFs, we find that all of them require significant centripetal acceleration beneath the front. This is naturally explained by a tangential, nearly sonic bulk flow just below the CF, and a tangential shear flow involving a fair fraction of the plasma beneath the front. Such shear should generate near-equipartition magnetic fields on scales {approx}<50pc from the front and could magnetize the entire core. Such fields would explain the apparent stability of cool core CFs and the recently reported CF-radio minihalo association.

  5. Nucleus-nucleus cold fusion reactions analyzed with the l-dependent ``fusion by diffusion'' model

    NASA Astrophysics Data System (ADS)

    Cap, T.; Siwek-Wilczyńska, K.; Wilczyński, J.

    2011-05-01

    We present a modified version of the Fusion by Diffusion (FBD) model aimed at describing the synthesis of superheavy nuclei in cold fusion reactions, in which a low excited compound nucleus emits only one neutron. The modified FBD model accounts for the angular momentum dependence of three basic factors determining the evaporation residue cross section: the capture cross section σcap(l), the fusion probability Pfus(l), and the survival probability Psurv(l). The fusion hindrance factor, the inverse of Pfus(l), is treated in terms of thermal fluctuations in the shape degrees of freedom and is expressed as a solution of the Smoluchowski diffusion equation. The l dependence of Pfus(l) results from the l-dependent potential energy surface of the colliding system. A new parametrization of the distance of starting point of the diffusion process is introduced. An analysis of a complete set of 27 excitation functions for production of superheavy nuclei in cold fusion reactions, studied in experiments at GSI Darmstadt, RIKEN Tokyo, and LBNL Berkeley, is presented. The FBD model satisfactorily reproduces shapes and absolute cross sections of all the cold fusion excitation functions. It is shown that the peak position of the excitation function for a given 1n reaction is determined by the Q value of the reaction and the height of the fission barrier of the final nucleus. This fact could possibly be used in future experiments (with well-defined beam energy) for experimental determination of the fission barrier heights.

  6. Spectroscopic hint of a cold stream in the direction of the globular cluster NGC 1851

    NASA Astrophysics Data System (ADS)

    Sollima, A.; Gratton, R. G.; Carballo-Bello, J. A.; Martínez-Delgado, D.; Carretta, E.; Bragaglia, A.; Lucatello, S.; Peñarrubia, J.

    2012-10-01

    We present the results of a spectroscopic survey performed in the outskirts of the globular cluster NGC 1851 with VIsible MultiObject Spectrograph (VIMOS)/Very Large Telescope (VLT). The radial velocities of 107 stars in a region between 12 and 33 arcmin around the cluster have been derived. We clearly identify the cluster stellar population over the entire field of view, indicating the presence of a significant fraction of stars outside the tidal radius predicted by King models. We also find tentative evidence of a cold (σv ≤ 20 km s-1) peak in the distribution of velocities at vr ˜ 180 km s-1 constituted mainly by main-sequence stars whose location in the colour-magnitude diagram is compatible with a stream at a similar distance to this cluster. If confirmed, this evidence would strongly support the extragalactic origin of this feature. Based on VIsible MultiObject Spectrograph (VIMOS) observations collected with the Very Large Telescope at the European Southern Observatory, Cerro Paranal, Chile, within the observing programme 082.D-0244.Alexander von Humboldt Fellow for Advanced Research.

  7. Galaxy and cluster formation in a universe dominated by cold dark matter

    SciTech Connect

    Primack, J.R.

    1984-07-01

    The dark matter (DM) that appears to be gravitationally dominant on all astronomical scales larger than the cores of galaxies can be classified, on the basis of its characteristic free-streaming damping mass M/sub D/, as hot (M/sub D/ approx. 10/sup 15/ M/sub mass/), warm (M/sub D/ approx. 10/sup 11/ M/sub mass/), or cold (M/sub D < 10/sup 8/ M/sub mass/). For the case of cold DM, the shape of the DM fluctuation spectrum is determined by (a) the primordial spectrum (on scales larger than the horizon), and (b) stagspansion, the stagnation of the growth of DM fluctuations that enter the horizon while the universe is still radiation-dominated. An attractive feature of the cold dark matter hypothesis is its considerable predictive power: the post-recombination fluctuation spectrum is calculable, and it in turn governs the formation of galaxies and clusters. Good agreement with the data is obtained for a Zeldovich spectrum of primordial fluctuations.

  8. Jets and a cold chaotic disk in the central pc of the Perseus cluster

    NASA Astrophysics Data System (ADS)

    Fujita, Yutaka; Nagai, Hiroshi

    2017-08-01

    We detect a new jet at the center of NGC 1275 in the Perseus cluster with Very Long Baseline Array at 15 and 43 GHz. The jet is found north of the central Active galactic nucleus (AGN) and the size is ˜2 mas (˜0.8 pc). It seems to be the counterjet of a known radio jet expanding to the south. From the ratio of the lengths of the two jets, the inclination angle of the jet is estimated to be about 65 degs. The large angle can strongly constrain gamma-ray emission mechanism from the AGN. Contrary to the south jet, the new north jet is strongly absorbed, which suggests that the AGN is surround by a parsec-scale cold disk with the density of ≥ 105 cm-3. The spectrum of the north jets indicates that the disk is highly inhomogeneous. Our results supports the idea that gas accretes on the AGN at the center of a cluster via a cold chaotic disk.

  9. The evolution of X-ray clusters in a cold plus hot dark matter universe

    NASA Technical Reports Server (NTRS)

    Bryan, Greg L.; Klypin, Anatoly; Loken, Chris; Norman, Michael L.; Burns, Jack O.

    1994-01-01

    We present the first self-consistently computed results on the evolution of X-ray properties of galaxy clusters in a cold + hot dark matter (CHDM) model. We have performed a hydrodynamic plus N-body simulation for the COBE-compatible CHDM model with standard mass components: Omega(sub hot) = 0.3, Omega (sub cold) = 0.6 and Omega(sub baryon) = 0.1 (h = 0.5). In contrast with the CDM model, which fails to reproduce the observed temperature distribution function dN/dT (Bryan et al. 1994b), the CHDM model fits the observational dN/dT quite well. Our results on X-ray luminosity are less firm but even more intriguing. We find that the resulting X-ray luminosity functions at redshifts z = 0.0, 0.2, 0.4, 0.7 are well fit by observations, where they overlap. The fact that both temperatures and luminosities provide a reasonable fit to the available observational data indicates that, unless we are missing some essential physics, there is neither room nor need for a large fraction of gas in rich clusters: 10% (or less) in baryons is sufficient to explain their X-ray properties. We also see a tight correlation between X-ray luminosity and gas temperature.

  10. The evolution of X-ray clusters in a cold plus hot dark matter universe

    NASA Technical Reports Server (NTRS)

    Bryan, Greg L.; Klypin, Anatoly; Loken, Chris; Norman, Michael L.; Burns, Jack O.

    1994-01-01

    We present the first self-consistently computed results on the evolution of X-ray properties of galaxy clusters in a cold + hot dark matter (CHDM) model. We have performed a hydrodynamic plus N-body simulation for the COBE-compatible CHDM model with standard mass components: Omega(sub hot) = 0.3, Omega (sub cold) = 0.6 and Omega(sub baryon) = 0.1 (h = 0.5). In contrast with the CDM model, which fails to reproduce the observed temperature distribution function dN/dT (Bryan et al. 1994b), the CHDM model fits the observational dN/dT quite well. Our results on X-ray luminosity are less firm but even more intriguing. We find that the resulting X-ray luminosity functions at redshifts z = 0.0, 0.2, 0.4, 0.7 are well fit by observations, where they overlap. The fact that both temperatures and luminosities provide a reasonable fit to the available observational data indicates that, unless we are missing some essential physics, there is neither room nor need for a large fraction of gas in rich clusters: 10% (or less) in baryons is sufficient to explain their X-ray properties. We also see a tight correlation between X-ray luminosity and gas temperature.

  11. Influence of projectile neutron number on cross section in cold fusion reactions

    SciTech Connect

    Dragojevic, Irena; Dragojevic, I.; Gregorich, K.E.; Dullmann, Ch.E.; Folden III, C.M.; Garcia, M.A.; Gates, J.M.; Nelson, S.L.; Sudowe, R.; Nitsche, H.

    2007-09-01

    Elements 107-112 [1,2] have been discovered in reactions between {sup 208}Pb or {sup 209}Bi targets and projectiles ranging from {sup 54}Cr through {sup 70}Zn. In such reactions, the compound nucleus can be formed at excitation energies as low as {approx}12 MeV, thus this type of reaction has been referred to as 'cold fusion'. The study of cold fusion reactions is an indispensable approach to gaining a better understanding of heavy element formation and decay. A theoretical model that successfully predicts not only the magnitudes of cold fusion cross sections, but also the shapes of excitation functions and the cross section ratios between various reaction pairs was recently developed by Swiatecki, Siwek-Wilczynska, and Wilczynski [3,4]. This theoretical model, also referred to as Fusion by Diffusion, has been the guide in all of our cold fusion studies. One particularly interesting aspect of this model is the large predicted difference in cross sections between projectiles differing by two neutrons. The projectile pair where this difference is predicted to be largest is {sup 48}Ti and {sup 50}Ti. To test and extend this model, {sup 208}Pb({sup 48}Ti,n){sup 255}Rf and {sup 208}Pb({sup 50}Ti,n){sup 257}Rf excitation functions were recently measured at the Lawrence Berkeley National Laboratory's (LBNL) 88-Inch Cyclotron utilizing the Berkeley Gas-filled Separator (BGS). The {sup 50}Ti reaction was carried out with thin lead targets ({approx}100 {micro}g/cm{sup 2}), and the {sup 48}Ti reaction with both thin and thick targets ({approx}470 {micro}g/cm{sup 2}). In addition to this reaction pair, reactions with projectile pairs {sup 52}Cr and {sup 54}Cr [5], {sup 56}Fe and {sup 58}Fe [6], and {sup 62}Ni [7] and {sup 64}Ni [8] will be discussed and compared to the Fusion by Diffusion predictions. The model predictions show a very good agreement with the data.

  12. COLD ELECTRON REACTIONS PRODUCING THE ENERGETIC ISOMER OF HYDROGEN CYANIDE IN INTERSTELLAR CLOUDS

    SciTech Connect

    Mendes, Mario B.; Buhr, Henrik; Berg, Max H.; Froese, Michael; Grieser, Manfred; Jordon-Thaden, Brandon; Krantz, Claude; Novotny, Oldrich; Novotny, Steffen; Orlov, Dmitry A.; Petrignani, Annemieke; Repnow, Roland; Schwalm, Dirk; Shornikov, Andrey; Stuetzel, Julia; Wolf, Andreas; Heber, Oded; Rappaport, Michael L.; Zajfman, Daniel

    2012-02-10

    Using event-by-event fragment momentum spectroscopy in a storage-ring merged-beams experiment, we find laboratory evidence that in the dissociative recombination (DR) of HCNH{sup +} with cold electrons the energetic isomer HNC is produced with a high yield, similar to that of HCN. With a newly implemented mass-sensitive fragment imaging detector, we analyze the kinetic energy release of the triatomic fragments DCN/DNC from the DR reaction of the isotopologue DCND{sup +} with cold (near 10 K) electrons. The results show that the internal energy of these fragments is extremely high, far exceeding the isomerization barrier between DNC and DCN. From this laboratory characterization of the DR reaction we conclude that also the triatomic fragment HCN/HNC from the DR of HCNH{sup +} will carry a large amount of ro-vibrational excitation and show that this implies an isomeric production ratio in a narrow range near unity.

  13. Role of the neck degree of freedom in cold fusion reactions

    NASA Astrophysics Data System (ADS)

    Adamian, G. G.; Antonenko, N. V.; Lenske, H.

    2015-05-01

    Mass parameters for collective variables of dinuclear systems formed in cold fusion reactions are microscopically calculated with the linear response theory making use of the width of single-particle states and the fluctuation-dissipation theorem. The single-particle spectrum and potential energy surface of the adiabatic two-center shell model are used. The microscopical mass parameter in the neck is found to be much larger than one obtained with the hydrodynamical model. Therefore, the dinuclear system lives a rather long time, comparable to the characteristic time of fusion and, correspondingly, the fusion can be considered at fixed neck parameter. With an adiabatic melting of the dinuclear system along the internuclear distance into a compound system one cannot explain the experimental trends in cold fusion reactions.

  14. Nuclear reaction products that would appear if substantial cold fusion occurred

    SciTech Connect

    Mueller, D.; Grisham, L.R. . Plasma Physics Lab.)

    1989-11-01

    This paper reports on recent claims of net energy production by cold fusion that have prompted an examination of all the positive Q value, two-body nuclear reactions that might result from the fusion of any of the isotopes in the apparatus used by Fleischmann and Pons. Any energy production that may result from cold fusion would be accompanied by copious production of nuclear reaction products (on the order of 10{sup 13}/s). Furthermore, the elementary properties of the alpha particle at the deuteron + deuteron threshold are discussed. An important property of the alpha at this high excitation is its nearly prompt (10{sup {minus}20} s) decay by particle emission to {sup 3}He + n or triton + proton.

  15. Cold Electron Reactions Producing the Energetic Isomer of Hydrogen Cyanide in Interstellar Clouds

    NASA Astrophysics Data System (ADS)

    Mendes, Mario B.; Buhr, Henrik; Berg, Max H.; Froese, Michael; Grieser, Manfred; Heber, Oded; Jordon-Thaden, Brandon; Krantz, Claude; Novotný, Oldřich; Novotny, Steffen; Orlov, Dmitry A.; Petrignani, Annemieke; Rappaport, Michael L.; Repnow, Roland; Schwalm, Dirk; Shornikov, Andrey; Stützel, Julia; Zajfman, Daniel; Wolf, Andreas

    2012-02-01

    Using event-by-event fragment momentum spectroscopy in a storage-ring merged-beams experiment, we find laboratory evidence that in the dissociative recombination (DR) of HCNH+ with cold electrons the energetic isomer HNC is produced with a high yield, similar to that of HCN. With a newly implemented mass-sensitive fragment imaging detector, we analyze the kinetic energy release of the triatomic fragments DCN/DNC from the DR reaction of the isotopologue DCND+ with cold (near 10 K) electrons. The results show that the internal energy of these fragments is extremely high, far exceeding the isomerization barrier between DNC and DCN. From this laboratory characterization of the DR reaction we conclude that also the triatomic fragment HCN/HNC from the DR of HCNH+ will carry a large amount of ro-vibrational excitation and show that this implies an isomeric production ratio in a narrow range near unity.

  16. Effect of charge polarization on the Coulomb barrier for cold-fusion reactions

    SciTech Connect

    Ichikawa, Takatoshi; Iwamoto, Akira

    2005-06-01

    We estimate the decrease of the Coulomb-barrier height between colliding partners due to charge polarizations in the entrance channel for cold-fusion reactions. The resulting charge displacements between protons and neutrons are the sum of the surface- and volume-charge components. We show the difference between the charge polarization of light and heavy nuclei and the decrease of the Coulomb barrier height for synthesizing superheavy elements.

  17. A reassessment of surface friction model for maximum cold fusion reactions in superheavy mass region

    SciTech Connect

    Fukushima, A.; Wada, T.; Ohta, M.; Nasirov, A.; Aritomo, Y.

    2007-02-26

    We have made a study on the capture process of 40,48Ca+ 208Pb systems with a dynamical approach based on the surface friction model. The deformation of the nuclei due to the mutual excitation is taken into account. We have calculated the capture cross sections for several values of the friction coefficients. It was shown that, in the cold fusion reactions, the friction parameters of the surface friction model needs to be reexamined.

  18. Formation of complex organic molecules in cold objects: the role of gas-phase reactions

    NASA Astrophysics Data System (ADS)

    Balucani, Nadia; Ceccarelli, Cecilia; Taquet, Vianney

    2015-04-01

    While astrochemical models are successful in reproducing many of the observed interstellar species, they have been struggling to explain the observed abundances of complex organic molecules. Current models tend to privilege grain surface over gas-phase chemistry in their formation. One key assumption of those models is that radicals trapped in the grain mantles gain mobility and react on lukewarm ( ≳ 30 K) dust grains. Thus, the recent detections of methyl formate (MF) and dimethyl ether (DME) in cold objects represent a challenge and may clarify the respective role of grain-surface and gas-phase chemistry. We propose here a new model to form DME and MF with gas-phase reactions in cold environments, where DME is the precursor of MF via an efficient reaction overlooked by previous models. Furthermore, methoxy, a precursor of DME, is also synthesized in the gas phase from methanol, which is desorbed by a non-thermal process from the ices. Our new model reproduces fairly well the observations towards L1544. It also explains, in a natural way, the observed correlation between DME and MF. We conclude that gas-phase reactions are major actors in the formation of MF, DME and methoxy in cold gas. This challenges the exclusive role of grain-surface chemistry and favours a combined grain-gas chemistry.

  19. The rise and fall of a challenger: the Bullet Cluster in Λ cold darkmatter simulations

    NASA Astrophysics Data System (ADS)

    Thompson, Robert; Dave, Romeel; Nagamine, Kentaro

    2016-01-01

    The Bullet Cluster has provided some of the best evidence for the Λ cold dark matter (ΛCDM) model via direct empirical proof of the existence of collisionless dark matter, while posing a serious challenge owing to the unusually high inferred pairwise velocities of its progenitor clusters. Here we investigate the probability of finding such a high-velocity pair in large-volume N-body simulations, particularly focusing on differences between halo finding algorithms. We find that algorithms that do not account for the kinematics of infalling groups yield vastly different statistics and probabilities. When employing the Rockstar (RS) halo finder that considers particle velocities, we find numerous Bullet-like pair candidates that closely match not only the high pairwise velocity, but also the mass, mass ratio, separation distance, and collision angle of the initial conditions that have been shown to produce the Bullet Cluster in non-cosmological hydrodynamic simulations. The probability of finding a high pairwise velocity pair among haloes with Mhalo≥1014 M⊙ is 4.6×10-4 using RS, while it is ≈34× lower using a friends-of-friends (FOF) based approach as in previous studies. This is because the typical spatial extent of Bullet progenitors is such that FOF tends to group them into a single halo despite clearly distinct kinematics. Further requiring an appropriately high average mass among the two progenitors, we find the comoving number density of potential Bullet-like candidates to be on the order of ≈10-10 Mpc-3. Our findings suggest that ΛCDM straightforwardly produces massive, high relative velocity halo pairs analogous to Bullet Cluster progenitors, and hence the Bullet Cluster does not present a challenge to the ΛCDM model.

  20. The rise and fall of a challenger: the Bullet Cluster in Λ cold dark matter simulations

    NASA Astrophysics Data System (ADS)

    Thompson, Robert; Davé, Romeel; Nagamine, Kentaro

    2015-09-01

    The Bullet Cluster has provided some of the best evidence for the Λ cold dark matter (ΛCDM) model via direct empirical proof of the existence of collisionless dark matter, while posing a serious challenge owing to the unusually high inferred pairwise velocities of its progenitor clusters. Here, we investigate the probability of finding such a high-velocity pair in large-volume N-body simulations, particularly focusing on differences between halo-finding algorithms. We find that algorithms that do not account for the kinematics of infalling groups yield vastly different statistics and probabilities. When employing the ROCKSTAR halo finder that considers particle velocities, we find numerous Bullet-like pair candidates that closely match not only the high pairwise velocity, but also the mass, mass ratio, separation distance, and collision angle of the initial conditions that have been shown to produce the Bullet Cluster in non-cosmological hydrodynamic simulations. The probability of finding a high pairwise velocity pair among haloes with Mhalo ≥ 1014 M⊙ is 4.6 × 10-4 using ROCKSTAR, while it is ≈34 × lower using a friends-of-friends (FoF)-based approach as in previous studies. This is because the typical spatial extent of Bullet progenitors is such that FoF tends to group them into a single halo despite clearly distinct kinematics. Further requiring an appropriately high average mass among the two progenitors, we find the comoving number density of potential Bullet-like candidates to be of the order of ≈10-10 Mpc-3. Our findings suggest that ΛCDM straightforwardly produces massive, high relative velocity halo pairs analogous to Bullet Cluster progenitors, and hence the Bullet Cluster does not present a challenge to the ΛCDM model.

  1. Cold-Curing Structural Epoxy Resins: Analysis of the Curing Reaction as a Function of Curing Time and Thickness.

    PubMed

    Corcione, Carola Esposito; Freuli, Fabrizio; Frigione, Mariaenrica

    2014-09-22

    The curing reaction of a commercial cold-curing structural epoxy resin, specifically formulated for civil engineering applications, was analyzed by thermal analysis as a function of the curing time and the sample thickness. Original and remarkable results regarding the effects of curing time on the glass transition temperature and on the residual heat of reaction of the cold-cured epoxy were obtained. The influence of the sample thickness on the curing reaction of the cold-cured resin was also deeply investigated. A highly exothermal reaction, based on a self-activated frontal polymerization reaction, was supposed and verified trough a suitable temperature signal acquisition system, specifically realized for this measurement. This is one of the first studies carried out on the curing behavior of these peculiar cold-cured epoxy resins as a function of curing time and thickness.

  2. Cold-Curing Structural Epoxy Resins: Analysis of the Curing Reaction as a Function of Curing Time and Thickness

    PubMed Central

    Esposito Corcione, Carola; Freuli, Fabrizio; Frigione, Mariaenrica

    2014-01-01

    The curing reaction of a commercial cold-curing structural epoxy resin, specifically formulated for civil engineering applications, was analyzed by thermal analysis as a function of the curing time and the sample thickness. Original and remarkable results regarding the effects of curing time on the glass transition temperature and on the residual heat of reaction of the cold-cured epoxy were obtained. The influence of the sample thickness on the curing reaction of the cold-cured resin was also deeply investigated. A highly exothermal reaction, based on a self-activated frontal polymerization reaction, was supposed and verified trough a suitable temperature signal acquisition system, specifically realized for this measurement. This is one of the first studies carried out on the curing behavior of these peculiar cold-cured epoxy resins as a function of curing time and thickness. PMID:28788215

  3. Cold-induced precipitation of a monoclonal IgM: a negative activation enthalpy reaction.

    PubMed

    Meliga, Stefano C; Farrugia, William; Ramsland, Paul A; Falconer, Robert J

    2013-01-17

    Cold-induced precipitation of a monoclonal IgM cryoglobulin isolated from a patient with Waldenström's macroglobulinemia was observed to have a negative activation enthalpy. The rate of the reaction increased, as the temperature decreased. Differential scanning calorimetry of the monoclonal IgM showed precipitation as an inverted peak during a downward temperature scan. The transition temperature was between 14 and 15 °C and was possibly concentration dependent. At temperatures below the transition the precipitation was best described by second-order kinetics. The difference in change in enthalpy between precipitation and disassociation suggests that cold-induced precipitation had a fast precipitation stage followed by a slower consolidation reaction. Negligible curvature of the Eyring plot suggested the precipitation reaction was dominated by van der Waal forces and hydrogen bonding. Conversely, during an upward temperature scan, disassociation was observed as a positive enthalpy peak. This reaction had two stages, a reaction undoing consolidation followed by heat-induced disassociation that had first-order kinetics.

  4. Cosmology and astrophysics from relaxed galaxy clusters – V. Consistency with cold dark matter structure formation

    SciTech Connect

    Mantz, A. B.; Allen, S. W.; Morris, R. G.

    2016-07-15

    This is the fifth in a series of papers studying the astrophysics and cosmology of massive, dynamically relaxed galaxy clusters. Our sample comprises 40 clusters identified as being dynamically relaxed and hot in Papers I and II of this series. Here we use constraints on cluster mass profiles from X-ray data to test some of the basic predictions of cosmological structure formation in the cold dark matter (CDM) paradigm. In addition, we present constraints on the concentration–mass relation for massive clusters, finding a power-law mass dependence with a slope of κm = –0.16 ± 0.07, in agreement with CDM predictions. For this relaxed sample, the relation is consistent with a constant as a function of redshift (power-law slope with 1 + z of κζ = –0.17 ± 0.26), with an intrinsic scatter of σln c = 0.16 ± 0.03. We investigate the shape of cluster mass profiles over the radial range probed by the data (typically ~50 kpc–1 Mpc), and test for departures from the simple Navarro–Frenk–White (NFW) form, for which the logarithmic slope of the density profile tends to –1 at small radii. Specifically, we consider as alternatives the generalized NFW (GNFW) and Einasto parametrizations. For the GNFW model, we find an average value of (minus) the logarithmic inner slope of β = 1.02 ± 0.08, with an intrinsic scatter of σβ = 0.22 ± 0.07, while in the Einasto case we constrain the average shape parameter to be α = 0.29 ± 0.04 with an intrinsic scatter of σα = 0.12 ± 0.04. Our results are thus consistent with the simple NFW model on average, but we clearly detect the presence of intrinsic, cluster-to-cluster scatter about the average.

  5. Cosmology and astrophysics from relaxed galaxy clusters – V. Consistency with cold dark matter structure formation

    SciTech Connect

    Mantz, A. B.; Allen, S. W.; Morris, R. G.

    2016-07-15

    This is the fifth in a series of papers studying the astrophysics and cosmology of massive, dynamically relaxed galaxy clusters. Our sample comprises 40 clusters identified as being dynamically relaxed and hot in Papers I and II of this series. Here we use constraints on cluster mass profiles from X-ray data to test some of the basic predictions of cosmological structure formation in the cold dark matter (CDM) paradigm. In addition, we present constraints on the concentration–mass relation for massive clusters, finding a power-law mass dependence with a slope of κm = –0.16 ± 0.07, in agreement with CDM predictions. For this relaxed sample, the relation is consistent with a constant as a function of redshift (power-law slope with 1 + z of κζ = –0.17 ± 0.26), with an intrinsic scatter of σln c = 0.16 ± 0.03. We investigate the shape of cluster mass profiles over the radial range probed by the data (typically ~50 kpc–1 Mpc), and test for departures from the simple Navarro–Frenk–White (NFW) form, for which the logarithmic slope of the density profile tends to –1 at small radii. Specifically, we consider as alternatives the generalized NFW (GNFW) and Einasto parametrizations. For the GNFW model, we find an average value of (minus) the logarithmic inner slope of β = 1.02 ± 0.08, with an intrinsic scatter of σβ = 0.22 ± 0.07, while in the Einasto case we constrain the average shape parameter to be α = 0.29 ± 0.04 with an intrinsic scatter of σα = 0.12 ± 0.04. Our results are thus consistent with the simple NFW model on average, but we clearly detect the presence of intrinsic, cluster-to-cluster scatter about the average.

  6. Investigating the mechanism of the selective hydrogenation reaction of cinnamaldehyde catalyzed by Ptn clusters.

    PubMed

    Li, Laicai; Wang, Wei; Wang, Xiaolan; Zhang, Lin

    2016-08-01

    Cinnamaldehyde (CAL) belongs to the group of aromatic α,β-unsaturated aldehydes; the selective hydrogenation of CAL plays an important role in the fine chemical and pharmaceutical industries. Using Ptn clusters as catalytic models, we studied the selective hydrogenation reaction mechanism for CAL catalyzed by Ptn (n = 6, 10, 14, 18) clusters by means of B3LYP in density functional theory at the 6-31+ G(d) level (the LanL2DZ extra basis set was used for the Pt atom). The rationality of the transition state was proved by vibration frequency analysis and intrinsic reaction coordinate computation. Moreover, atoms in molecules theory and nature bond orbital theory were applied to discuss the interaction among orbitals and the bonding characteristics. The results indicate that three kinds of products, namely 3-phenylpropyl aldehyde, 3-phenyl allyl alcohol and cinnamyl alcohol, are produced in the selective hydrogenation reaction catalyzed by Ptn clusters; each pathway possesses two reaction channels. Ptn clusters are more likely to catalyze the activation and hydrogenation of the C = O bond in CAL molecules, eventually producing cinnamic alcohol, which proves that Ptn clusters have a strong reaction selectivity to catalyze CAL. The reaction selectivity of the catalyzer cluster is closely related to the size of the Ptn cluster, with Pt14 clusters having the greatest reaction selectivity. Graphical Abstract The reaction mechanism for the selective hydrogenation reaction ofcinnamaldehyde catalyzed by Ptn clusters was studied by densityfunctional theory. The reactionselectivity of cluster catalyzer was concluded to be closely related to the size of Ptn clusters, with Pt14 clusters having the greatest reaction selectivity.

  7. A cold pulsed source of hydrogen and hydrogen clusters: development and extreme-ultraviolet studies

    NASA Astrophysics Data System (ADS)

    Trickl, T.; Kung, A. H.; Lee, Y. T.

    2010-10-01

    We describe the development and application of a differentially pumped pulsed cold H2 and (H2)2 beam source. The nozzle was cooled with liquid nitrogen and, actuated by a piezoelectric valve with pressures up to 5 bar, produced gas pulses 250 μs long. Strong limitations by collisions with the fast hydrogen molecules returning from the walls of the source chamber could be overcome by surrounding the volume around nozzle and skimmer with cold surfaces. As a consequence, the beam intensities for both the monomer and the clusters could be greatly enhanced. The valve was operated without any realignment for more than one year. The beam source was characterized by a number of photo-ionization studies. As a part of these efforts the presumably first laser-based single-photon ionization spectra of H2 and (H2)2 were obtained. We estimate that more than ten H3+ ions could be detected per laser shot at a wavelength of 74.2 nm and a pressure of 5 bar. The auto-ionization lines of H2 were recorded with a resolution of about 0.54 cm-1. A line width of about 629 MHz was obtained in the B←X band system of hydrogen observed by resonance-enhanced two-photon ionization. Further potential improvements of the experiment are discussed.

  8. Nucleus-nucleus cold fusion reactions analyzed with the l-dependent 'fusion by diffusion' model

    SciTech Connect

    Cap, T.; Siwek-Wilczynska, K.; Wilczynski, J.

    2011-05-15

    We present a modified version of the Fusion by Diffusion (FBD) model aimed at describing the synthesis of superheavy nuclei in cold fusion reactions, in which a low excited compound nucleus emits only one neutron. The modified FBD model accounts for the angular momentum dependence of three basic factors determining the evaporation residue cross section: the capture cross section {sigma}{sub cap}(l), the fusion probability P{sub fus}(l), and the survival probability P{sub surv}(l). The fusion hindrance factor, the inverse of P{sub fus}(l), is treated in terms of thermal fluctuations in the shape degrees of freedom and is expressed as a solution of the Smoluchowski diffusion equation. The l dependence of P{sub fus}(l) results from the l-dependent potential energy surface of the colliding system. A new parametrization of the distance of starting point of the diffusion process is introduced. An analysis of a complete set of 27 excitation functions for production of superheavy nuclei in cold fusion reactions, studied in experiments at GSI Darmstadt, RIKEN Tokyo, and LBNL Berkeley, is presented. The FBD model satisfactorily reproduces shapes and absolute cross sections of all the cold fusion excitation functions. It is shown that the peak position of the excitation function for a given 1n reaction is determined by the Q value of the reaction and the height of the fission barrier of the final nucleus. This fact could possibly be used in future experiments (with well-defined beam energy) for experimental determination of the fission barrier heights.

  9. Toward cold and dense antikaonic nuclear clusters. Talk at symposium "Creativity-Innovation—the seed for frontier science" on the occasion of the 80th birthday of Professor Paul Kienle

    NASA Astrophysics Data System (ADS)

    Yamazaki, Toshimitsu

    2012-05-01

    Experimental search for cold and dense anti-kaonic nuclear cluster systems has been tried since 1998. Recently, an important indication for the most basic cluster K - pp has been obtained from old data of DISTO on p + p → K + + p + Λ through Λ(1405) production as a doorway. This success now triggers an extended search for a double kaonic cluster K - K - pp. Ultimately we have possibility to investigate multi-kaonic objects and kaonic strangelets in heavy-ion reactions. In this paper I trace my personal reminiscences of collaborative work with Paul Kienle during which I enjoyed the same feeling and excitement as Paul for more than a decade.

  10. On fusion/fission chain reactions in the Fleischmann-Pons cold fusion experiment

    SciTech Connect

    Anghaie, S.; Froelich, P.; Monkhorst, H.J. )

    1990-05-01

    In this paper the possibility of fusion/fission chain reactions following d-d source reactions in electrochemical cold fusion experiments have been investigated. The recycling factors for the charged particles in fusion reactions with consumable nuclei deuteron, {sup 6}Li nd {sup 7}Li, are estimated. It is concluded that, based on the established nuclear fusion cross sections and electronic stopping power, the recycling factor is four to five orders of magnitude less than required for close to critical conditions. It is argued that the cross generation of charged particles by neutrons does not play a significant role in this process, even if increased densities at the surface of electrodes do occur.

  11. Gas-phase reactions of nickel and nickel oxide clusters with nitrogen oxides. 3. Reactions of cations with nitric oxide

    SciTech Connect

    Vann, W.D.; Bell, R.C.; Castleman, A.W. Jr.

    1999-12-16

    A fast flow reactor-quadrupole mass spectrometer system coupled with a laser vaporization source is used to study the gas-phase reactions of nickel and nickel oxide cluster cations with nitric oxide. Pseudo-first-order bimolecular rate constants are reported for the reactions of NO with nickel and nickel oxide cluster cations and O{sub 2} reactions with nickel cluster cations. The product distributions indicate that several different reaction mechanisms occur between NO and NI{sub x}{sup +} and Ni{sub x}O{sub y}{sup +}. Competing processes such as oxidation, NO addition, and replacement of oxygen with nitric oxide are observed to occur. Also, the presence of magic peaks in the distributions indicates unusually stable product cluster species.

  12. A new mathematical model to simulate AVA cold-induced vasodilation reaction to local cooling.

    PubMed

    Rida, Mohamad; Karaki, Wafaa; Ghaddar, Nesreen; Ghali, Kamel; Hoballah, Jamal

    2014-11-01

    The purpose of this work was to integrate a new mathematical model with a bioheat model, based on physiology and first principles, to predict thermoregulatory arterio-venous anastomoses (AVA) and cold-induced vasodilation (CIVD) reaction to local cooling. The transient energy balance equations of body segments constrained by thermoregulatory controls were solved numerically to predict segmental core and skin temperatures, and arterial blood flow for given metabolic rate and environmental conditions. Two similar AVA-CIVD mechanisms were incorporated. The first was activated during drop in local skin temperature (<32 °C). The second mechanism was activated at a minimum finger skin temperature, T(CIVD, min), where the AVA flow is dilated and constricted once the skin temperature reached a maximum value. The value of T(CIVD,min) was determined empirically from values reported in literature for hand immersions in cold fluid. When compared with published data, the model predicted accurately the onset time of CIVD at 25 min and T(CIVD,min) at 10 °C for hand exposure to still air at 0 °C. Good agreement was also obtained between predicted finger skin temperature and experimentally published values for repeated immersion in cold water at environmental conditions of 30, 25, and 20 °C. The CIVD thermal response was found related to core body temperature, finger skin temperature, and initial finger sensible heat loss rate upon exposure to cold fluid. The model captured central and local stimulations of the CIVD and accommodated observed variability reported in literature of onset time of CIVD reaction and T(CIVD,min).

  13. Characteristic Scale and Bimodality in Galaxies: Cold Streams, Shock Heating, Feedback and Clustering

    NASA Astrophysics Data System (ADS)

    Dekel, Avishai; Birnboim, Yuval

    2004-12-01

    We address the origin of the robustly observed bi-modality in galaxy properties at a characteristic stellar mass of ~ 3 × 10 10Msolar. As seen in large surveys at low redshift and indicated at z ~ 1, less massive galaxies tend to be star-forming blue (some very blue) discs in the ``field'', correlated along a ``fundamental line'' of L/M, surface brightness, internal velocity and metallicity rising with mass. More massive galaxies are mostly spheroids of red (some very red) old stars in groups or clusters, with surface brightness and metallicity ~constant and halo M/L rising with mass. The spheroids tend to host AGNs. We propose that the bi-modality is the combined effect of the thermal history of the infalling gas and several feedback processes, aided by the gravitational growth of fluctuations into groups of galaxies. In haloes below a critical mass ~ 10 12Msolar, single discs are built by cold streams, not heated by a shock in the extended dark halo, yielding efficient early star formation. It is regulated by supernova and radiative feedback into a long sequence of bursts, giving rise to the blue galaxies along the fundamental line. Further grwoth along the blue sequence into L*-size galaxies is allowed above the threshold mass by mergers and by cold streams, especially in low density environments. This phase of star formation is possibly observed as LIRGs at z <~ 1 and as luminous dusty objects at z ~ 2. Only above the critical mass is the infalling gas shock-heated to near the virial temperature. This hot, dilute gas is vulnerable to feedback from an energetic source such as an AGN, which shuts off the cold gas supply and prevents further disc growth and star formation, especially in clustered galaxies. Subsequent passive evolution, accompanied by gas-poor mergeres, lead to ``red-and-dead'' massive spheroids sharing a common halo in a group, some existing already at z ~ 1. The critical mass is predicted to slightly rise with z. When the detailed models of

  14. High Performance Computer Cluster for Theoretical Studies of Roaming in Chemical Reactions

    DTIC Science & Technology

    2016-08-30

    High-performance Computer Cluster for Theoretical Studies of Roaming in Chemical Reactions A dedicated high-performance computer cluster was...purchased in order to carry out extensive and state-of-the art computations of chemical reaction dynamics. The specific aim of this computational research...SPONSORING/MONITORING AGENCY NAME(S) AND ADDRESS (ES) U.S. Army Research Office P.O. Box 12211 Research Triangle Park, NC 27709-2211 Computer cluster

  15. High-resolution electron microscopy observation and dislocation reaction mechanism of fivefold twinning in a Cu-rich precipitate in a cold rolled ferritic steel containing copper

    SciTech Connect

    Wang, Ling; Wang, Wei; Chen, Bolin; Zhou, Xiying; Li, Zhongwen; Zhou, Bangxin; Wang, Lumin

    2014-09-15

    Ferritic steels containing copper have been studied as model systems for clusters/precipitate formation in reactor pressure vessel steels. The samples were aged at 400 °C for 4000 h and subsequently cold rolled to 30% reduction at room temperature. The microstructural characteristics of the samples were analyzed using high-resolution transmission electron microscopy. Direct evidence was found that the fivefold twinning occurs via simultaneous emission of two Shockley partial dislocations from two particular α-Fe/Cu interfaces, and then the pileup tips of the twofold twin. - Highlights: • Fivefold twin is observed in a Cu-rich precipitate in cold rolled ferritic steels. • A dislocation reaction mechanism for the fivefold twin formation is proposed. • Two particular mismatching α-Fe/Cu-rich precipitate interfaces play a critical role.

  16. Chemisorption and reactions on clusters of nickel atoms

    NASA Technical Reports Server (NTRS)

    Waber, J. T.; Adachi, H.; Yu, T.

    1982-01-01

    The nucleation and growth of metallic clusters on a substantially amorphous substrate are discussed with emphasis on the geometrical and electronic structure of the clusters. Several clusters of different symmetry containing five to nine nickel atoms were studied. It was found that the energy range of primary d-like states is not significantly different from the width of the d-band states in nickel metal, as long as the interatomic distance is comparable to that in the bulk metal. The approach of one or more molecules to the cluster is examined using at the hydrogenation of acetylene and the dehydrogenation of ethylene as examples.

  17. Systematics of calculated cold-fusion barriers for reactions leading to compound systems from Z=104 to Z=126

    SciTech Connect

    Moeller, P.; Armbruster, P.; Hofmann, S.; Muenzenberg, G.

    1998-12-21

    We have previously shown that just as the decay properties of nuclei in the heavy region depend strongly on shell structure, shell structure also dramatically affects the fusion entrance channel. The six most recently discovered new elements were all formed in cold-fusion reactions. We discuss here the effect of the doubly-magic structure of the target in cold-fusion reactions on the fusion barrier and present a systematic study of cold-fusion heavy-ion reaction barriers for elements from Rf to Z=126. We find that the systematics of the optimum reaction energy may change near Z=112, because here the highest point on the interaction barrier shifts in location from near the touching distance at r/R{sub 0}{approx_equal}1.5 to r/R{sub 0}{approx_equal}1.0, which is a shape configuration just slightly more deformed than the ground state.

  18. Systematics of calculated cold-fusion barriers for reactions leading to compound systems from Z=104 to Z=126

    SciTech Connect

    Moller, P.; Hofmann, S.; Munzenberg, G.

    1998-12-01

    We have previously shown that just as the decay properties of nuclei in the heavy region depend strongly on shell structure, shell structure also dramatically affects the fusion entrance channel. The six most recently discovered new elements were all formed in cold-fusion reactions. We discuss here the effect of the doubly-magic structure of the target in cold-fusion reactions on the fusion barrier and present a systematic study of cold-fusion heavy-ion reaction barriers for elements from Rf to Z=126. We find that the systematics of the optimum reaction energy may change near Z=112, because here the highest point on the interaction barrier shifts in location from near the touching distance at r/R{sub 0}{approx}1.5 to r/R{sub 0}{approx}1.0, which is a shape configuration just slightly more deformed than the ground state. {copyright} {ital 1998 American Institute of Physics.}

  19. Molecular-dynamics analysis of mobile helium cluster reactions near surfaces of plasma-exposed tungsten

    NASA Astrophysics Data System (ADS)

    Hu, Lin; Hammond, Karl D.; Wirth, Brian D.; Maroudas, Dimitrios

    2015-10-01

    We report the results of a systematic atomic-scale analysis of the reactions of small mobile helium clusters (Hen, 4 ≤ n ≤ 7) near low-Miller-index tungsten (W) surfaces, aiming at a fundamental understanding of the near-surface dynamics of helium-carrying species in plasma-exposed tungsten. These small mobile helium clusters are attracted to the surface and migrate to the surface by Fickian diffusion and drift due to the thermodynamic driving force for surface segregation. As the clusters migrate toward the surface, trap mutation (TM) and cluster dissociation reactions are activated at rates higher than in the bulk. TM produces W adatoms and immobile complexes of helium clusters surrounding W vacancies located within the lattice planes at a short distance from the surface. These reactions are identified and characterized in detail based on the analysis of a large number of molecular-dynamics trajectories for each such mobile cluster near W(100), W(110), and W(111) surfaces. TM is found to be the dominant cluster reaction for all cluster and surface combinations, except for the He4 and He5 clusters near W(100) where cluster partial dissociation following TM dominates. We find that there exists a critical cluster size, n = 4 near W(100) and W(111) and n = 5 near W(110), beyond which the formation of multiple W adatoms and vacancies in the TM reactions is observed. The identified cluster reactions are responsible for important structural, morphological, and compositional features in the plasma-exposed tungsten, including surface adatom populations, near-surface immobile helium-vacancy complexes, and retained helium content, which are expected to influence the amount of hydrogen re-cycling and tritium retention in fusion tokamaks.

  20. Molecular-dynamics analysis of mobile helium cluster reactions near surfaces of plasma-exposed tungsten

    SciTech Connect

    Hu, Lin; Maroudas, Dimitrios; Hammond, Karl D.; Wirth, Brian D.

    2015-10-28

    We report the results of a systematic atomic-scale analysis of the reactions of small mobile helium clusters (He{sub n}, 4 ≤ n ≤ 7) near low-Miller-index tungsten (W) surfaces, aiming at a fundamental understanding of the near-surface dynamics of helium-carrying species in plasma-exposed tungsten. These small mobile helium clusters are attracted to the surface and migrate to the surface by Fickian diffusion and drift due to the thermodynamic driving force for surface segregation. As the clusters migrate toward the surface, trap mutation (TM) and cluster dissociation reactions are activated at rates higher than in the bulk. TM produces W adatoms and immobile complexes of helium clusters surrounding W vacancies located within the lattice planes at a short distance from the surface. These reactions are identified and characterized in detail based on the analysis of a large number of molecular-dynamics trajectories for each such mobile cluster near W(100), W(110), and W(111) surfaces. TM is found to be the dominant cluster reaction for all cluster and surface combinations, except for the He{sub 4} and He{sub 5} clusters near W(100) where cluster partial dissociation following TM dominates. We find that there exists a critical cluster size, n = 4 near W(100) and W(111) and n = 5 near W(110), beyond which the formation of multiple W adatoms and vacancies in the TM reactions is observed. The identified cluster reactions are responsible for important structural, morphological, and compositional features in the plasma-exposed tungsten, including surface adatom populations, near-surface immobile helium-vacancy complexes, and retained helium content, which are expected to influence the amount of hydrogen re-cycling and tritium retention in fusion tokamaks.

  1. Heating cold clumps by jet-inflated bubbles in cooling flow clusters

    NASA Astrophysics Data System (ADS)

    Hillel, Shlomi; Soker, Noam

    2014-12-01

    We simulate the evolution of dense-cool clumps embedded in the intracluster medium (ICM) of cooling flow clusters of galaxies in response to multiple jet-activity cycles, and find that the main heating process of the clumps is mixing with the hot shocked jets' gas, the bubbles, while shocks have a limited role. We use the PLUTO hydrodynamical code in two dimensions with imposed axisymmetry, to follow the thermal evolution of the clumps. We find that the inflation process of hot bubbles, which appear as X-ray deficient cavities in observations, is accompanied by complicated induced vortices inside and around the bubbles. The vorticity induces efficient mixing of the hot bubbles' gas with the ICM and cool clumps, resulting in a substantial increase of the temperature and entropy of the clumps. For the parameters used by us, heating by shocks barely competes with radiative cooling, even after 25 consecutive shocks excited during 0.5 Gyr of simulation. Some clumps are shaped to filamentary structure that can turn to observed optical filaments. We find that not all clumps are heated. Those that cool to very low temperatures will fall in and feed the central supermassive black hole, hence closing the feedback cycle in what is termed the cold feedback mechanism.

  2. MAGNETOHYDRODYNAMIC SIMULATIONS OF THE FORMATION OF COLD FRONTS IN CLUSTERS OF GALAXIES: EFFECTS OF ANISOTROPIC VISCOSITY

    SciTech Connect

    Suzuki, Kentaro; Ogawa, Takayuki; Matsumoto, Yosuke; Matsumoto, Ryoji E-mail: ogawa@astro.s.chiba-u.ac.jp E-mail: matumoto@astro.s.chiba-u.ac.jp

    2013-05-10

    We carried out three-dimensional magnetohydrodynamic simulations to study the effects of plasma viscosity on the formation of sharp discontinuities of density and temperature distributions, cold fronts, in clusters of galaxies. By fixing the gravitational potential that confines the cool, dense plasma in a moving subcluster, we simulated its interaction with the hot, lower density plasma around the subcluster. At the initial state, the intracluster medium (ICM) is assumed to be threaded by uniform magnetic fields. The enhancement of plasma viscosity along the direction of magnetic fields is incorporated as anisotropic viscosity depending on the direction of magnetic fields. We found that the Kelvin-Helmholtz instability at the surface of the subcluster grows even in models with anisotropic viscosity, because its effects on the velocity shear across the magnetic field lines are suppressed. We also found that magnetic fields around the interface between the subcluster and ICM are amplified even in the presence of viscosity, while magnetic fields behind the subcluster are amplified up to {beta}{sup -1} {approx} 0.01 in models with viscosity, whereas they are amplified up to {beta}{sup -1} {approx} 0.1 in models without viscosity, where {beta} is the ratio of gas pressure to magnetic pressure.

  3. Cluster reactions: An approach to understanding the fundamentals of heterogeneous catalysis

    SciTech Connect

    Castleman, A.W. Jr.

    1994-11-01

    The physical basis for catalysis is not well understood and the motivation for this ongoing research is to provide a basis for unraveling the role which composition, morphology and electronic states have on the functioning of catalysts for various classes of reactions. The work during the first two and one-half year grant period has focused on unsupported clusters of selected composition, charge state, and size. Research has proceeded along three general lines of inquiry: (1) investigation of the reactivity of these cluster materials and determination of the influence of their charged state; (2) determination of the kinetics of association (adsorption) of various reactants and unraveling the mechanisms of certain oxidation reactions known to be catalyzed on metal cluster alloys, oxides and carbides, and (3) thermochemical measurement of the absorption of gaseous species onto alloy and metal oxide and carbide cluster systems. The authors have pursued the role of metal and metal-oxide clusters, and the charge states of these, as they function to influence the reactions of adsorbed species including ammonia, alcohols, water, NO{sub x}, as well as CO and hydrogen. Evidence has been obtained that small positively charged nickel clusters function to catalyze reactions between adsorbed CO and hydrogen. In supportive studies, they have investigated the clustering of ammonia, methanol and water to nickel clusters of varying size. These studies, in conjunction with density functional calculations which are in progress, provide insight into cluster structures and knowledge of adsorption energies.

  4. THE NATURE OF FILAMENTARY COLD GAS IN THE CORE OF THE VIRGO CLUSTER

    SciTech Connect

    Werner, N.; Canning, R. E. A.; Allen, S. W.; Simionescu, A.; Von der Linden, A.; Oonk, J. B. R.; Kos, J.; Van Weeren, R. J.; Nulsen, P. E. J.; Edge, A. C.; Fabian, A. C.; Reynolds, C. S.; Ruszkowski, M.

    2013-04-20

    We present a multi-wavelength study of the emission-line nebulae located {approx}38'' (3 kpc in projection) southeast of the nucleus of M87, the central dominant galaxy of the Virgo Cluster. We report the detection of far-infrared (FIR) [C II] line emission at 158 {mu}m from the nebulae using observations made with the Herschel Photodetector Array Camera and Spectrometer (PACS). The infrared line emission is extended and co-spatial with optical H{alpha}+ [N II], far-ultraviolet C IV lines, and soft X-ray emission. The filamentary nebulae evidently contain multi-phase material spanning a temperature range of at least five orders of magnitude, from {approx}100 K to {approx}10{sup 7} K. This material has most likely been uplifted by the active galactic nucleus from the center of M87. The thermal pressure of the 10{sup 4} K phase appears to be significantly lower than that of the surrounding hot intracluster medium (ICM), indicating the presence of additional turbulent and magnetic pressure in the filaments. If the turbulence in the filaments is subsonic then the magnetic field strength required to balance the pressure of the surrounding ICM is B {approx} 30-70 {mu}G. The spectral properties of the soft X-ray emission from the filaments indicate that it is due to thermal plasma with kT {approx} 0.5-1 keV, which is cooling by mixing with the cold gas and/or radiatively. Charge exchange can be ruled out as a significant source of soft X-rays. Both cooling and mixing scenarios predict gas with a range of temperatures. This is at first glance inconsistent with the apparent lack of X-ray emitting gas with kT < 0.5 keV. However, we show that the missing very soft X-ray emission could be absorbed by the cold gas in the filaments with an integrated hydrogen column density of N{sub H} {approx} 1.6 Multiplication-Sign 10{sup 21} cm{sup -2}, providing a natural explanation for the apparent temperature floor to the X-ray emission at kT {approx} 0.5 keV. The FIR through ultraviolet

  5. Photonuclear reaction to test cluster structure of Lithium

    SciTech Connect

    Akkurt, Iskender

    2008-11-11

    The lithium can be pictured as an {alpha} particle with 2 extra nucleon surrounding it. A photonuclear reaction experiment has been performed to test this structure at Maxlab in Lund-Sweden. The cross-section of the {sup 6}Li({gamma},n) reaction have been measured using TOF methods and the results were compared with results of {sup 6}Li({gamma},p) and also {sup 4}He({gamma},n) reaction.

  6. Conversion of Nuclear Waste to Molten Glass: Cold-Cap Reactions in Crucible Tests

    DOE PAGES

    Xu, Kai; Hrma, Pavel; Rice, Jarrett A.; ...

    2016-05-23

    The feed-to-glass conversion, which comprises complex chemical reactions and phase transitions, occurs in the cold cap during nuclear waste vitrification. Here, to investigate the conversion process, we analyzed heat-treated samples of a simulated high-level waste feed using X-ray diffraction, electron probe microanalysis, leaching tests, and residual anion analysis. Feed dehydration, gas evolution, and borate phase formation occurred at temperatures below 700°C before the emerging glass-forming melt was completely connected. Above 700°C, intermediate aluminosilicate phases and quartz particles gradually dissolved in the continuous borosilicate melt, which expanded with transient foam. Finally, knowledge of the chemistry and physics of feed-to-glass conversion willmore » help us control the conversion path by changing the melter feed makeup to maximize the glass production rate.« less

  7. Conversion of Nuclear Waste to Molten Glass: Cold-Cap Reactions in Crucible Tests

    SciTech Connect

    Xu, Kai; Hrma, Pavel; Rice, Jarrett A.; Schweiger, Michael J.; Riley, Brian J.; Overman, Nicole R.; Kruger, Albert A.

    2016-05-23

    The feed-to-glass conversion, which comprises complex chemical reactions and phase transitions, occurs in the cold cap during nuclear waste vitrification. Here, to investigate the conversion process, we analyzed heat-treated samples of a simulated high-level waste feed using X-ray diffraction, electron probe microanalysis, leaching tests, and residual anion analysis. Feed dehydration, gas evolution, and borate phase formation occurred at temperatures below 700°C before the emerging glass-forming melt was completely connected. Above 700°C, intermediate aluminosilicate phases and quartz particles gradually dissolved in the continuous borosilicate melt, which expanded with transient foam. Finally, knowledge of the chemistry and physics of feed-to-glass conversion will help us control the conversion path by changing the melter feed makeup to maximize the glass production rate.

  8. Conversion of Nuclear Waste to Molten Glass: Cold-Cap Reactions in Crucible Tests

    SciTech Connect

    Xu, Kai; Hrma, Pavel; Rice, Jarrett A.; Schweiger, Michael J.; Riley, Brian J.; Overman, Nicole R.; Kruger, Albert A.

    2016-05-23

    The feed-to-glass conversion, which comprises complex chemical reactions and phase transitions, occurs in the cold cap during nuclear waste vitrification. Here, to investigate the conversion process, we analyzed heat-treated samples of a simulated high-level waste feed using X-ray diffraction, electron probe microanalysis, leaching tests, and residual anion analysis. Feed dehydration, gas evolution, and borate phase formation occurred at temperatures below 700°C before the emerging glass-forming melt was completely connected. Above 700°C, intermediate aluminosilicate phases and quartz particles gradually dissolved in the continuous borosilicate melt, which expanded with transient foam. Finally, knowledge of the chemistry and physics of feed-to-glass conversion will help us control the conversion path by changing the melter feed makeup to maximize the glass production rate.

  9. Fusion by diffusion. II. Synthesis of transfermium elements in cold fusion reactions

    SciTech Connect

    Swiatecki, W.J.; Siwek-Wilczynska, K.; Wilczynski, J.

    2005-01-01

    We describe a method of estimating cross sections for the synthesis of very heavy nuclei by the fusion of two lighter ones. The cross section is considered to be the product of three factors: the cross section for the projectile to overcome the Coulomb barrier, the probability that the resulting composite nucleus reaches the compound nucleus configuration by a shape fluctuation treated as a diffusion of probability in one dimension, and the probability that the excited compound nucleus survives fission. Semi-empirical formulas for the mean Coulomb barrier height and its distribution around the mean are constructed. After overcoming the Coulomb barrier the system is assumed to be injected into an 'asymmetric fission valley' by a rapid growth of the neck between the target and projectile at approximately frozen asymmetry and elongation. Diffusion in the elongation coordinate in this valley can occasionally bring the system over the saddle separating the injection point from the compound nucleus configuration. This is the stage that accounts for the hindrance to fusion observed for very heavy reacting systems. The competition between deexcitation of the compound nucleus by neutron emission and fission is treated by standard methods, but an interesting insight allows one to predict in an elementary way the location of the maximum in the resulting excitation function. Adjusting one parameter in the theory causes the calculated peak cross sections to agree within about a factor of 2 or so with 12 measured or estimated values for 'cold' one-neutron-out reactions where targets of {sup 208}Pb and {sup 209}Bi are bombarded with projectiles ranging from {sup 48}Ca to {sup 70}Zn. The centroids of the excitation functions agree with theory to within 1 or 2 MeV for the six cases where they have been determined, and their widths are reproduced. 'Hot' fusion reactions, where several neutrons are emitted, are not treated, except that a comparison is made between the hindrance

  10. Constraints on cold dark matter theories from observations of massive x-ray-luminous clusters of galaxies at high redshift

    NASA Technical Reports Server (NTRS)

    Luppino, G. A.; Gioia, I. M.

    1995-01-01

    During the course of a gravitational lensing survey of distant, X-ray selected Einstein Observatory Extended Medium Sensitivity Survey (EMSS) clusters of galaxies, we have studied six X-ray-luminous (L(sub x) greater than 5 x 10(exp 44)(h(sub 50)(exp -2))ergs/sec) clusters at redshifts exceeding z = 0.5. All of these clusters are apparently massive. In addition to their high X-ray luminosity, two of the clusters at z approximately 0.6 exhibit gravitationally lensed arcs. Furthermore, the highest redshift cluster in our sample, MS 1054-0321 at z = 0.826, is both extremely X-ray luminous (L(sub 0.3-3.5keV)=9.3 x 10(exp 44)(h(sub 50)(exp -2))ergs/sec) and exceedingly rich with an optical richness comparable to an Abell Richness Class 4 cluster. In this Letter, we discuss the cosmological implications of the very existence of these clusters for hierarchical structure formation theories such as standard Omega = 1 CDM (cold dark matter), hybrid Omega = 1 C + HDM (hot dark matter), and flat, low-density Lambda + CDM models.

  11. Constraints on cold dark matter theories from observations of massive x-ray-luminous clusters of galaxies at high redshift

    NASA Technical Reports Server (NTRS)

    Luppino, G. A.; Gioia, I. M.

    1995-01-01

    During the course of a gravitational lensing survey of distant, X-ray selected Einstein Observatory Extended Medium Sensitivity Survey (EMSS) clusters of galaxies, we have studied six X-ray-luminous (L(sub x) greater than 5 x 10(exp 44)(h(sub 50)(exp -2))ergs/sec) clusters at redshifts exceeding z = 0.5. All of these clusters are apparently massive. In addition to their high X-ray luminosity, two of the clusters at z approximately 0.6 exhibit gravitationally lensed arcs. Furthermore, the highest redshift cluster in our sample, MS 1054-0321 at z = 0.826, is both extremely X-ray luminous (L(sub 0.3-3.5keV)=9.3 x 10(exp 44)(h(sub 50)(exp -2))ergs/sec) and exceedingly rich with an optical richness comparable to an Abell Richness Class 4 cluster. In this Letter, we discuss the cosmological implications of the very existence of these clusters for hierarchical structure formation theories such as standard Omega = 1 CDM (cold dark matter), hybrid Omega = 1 C + HDM (hot dark matter), and flat, low-density Lambda + CDM models.

  12. Cluster-transfer reactions with radioactive beams: A spectroscopic tool for neutron-rich nuclei

    NASA Astrophysics Data System (ADS)

    Bottoni, S.; Leoni, S.; Fornal, B.; Raabe, R.; Rusek, K.; Benzoni, G.; Bracco, A.; Crespi, F. C. L.; Morales, A. I.; Bednarczyk, P.; Cieplicka-Oryńczak, N.; Królas, W.; Maj, A.; Szpak, B.; Callens, M.; Bouma, J.; Elseviers, J.; De Witte, H.; Flavigny, F.; Orlandi, R.; Reiter, P.; Seidlitz, M.; Warr, N.; Siebeck, B.; Hellgartner, S.; Mücher, D.; Pakarinen, J.; Vermeulen, M.; Bauer, C.; Georgiev, G.; Janssens, R. V. F.; Balabanski, D.; Sferrazza, M.; Kowalska, M.; Rapisarda, E.; Voulot, D.; Lozano Benito, M.; Wenander, F.

    2015-08-01

    An exploratory experiment performed at REX-ISOLDE to investigate cluster-transfer reactions with radioactive beams in inverse kinematics is presented. The aim of the experiment was to test the potential of cluster-transfer reactions at the Coulomb barrier as a mechanism to explore the structure of exotic neutron-rich nuclei. The reactions 7Li(98Rb,α xn ) and 7Li(98Rb,t xn ) were studied through particle-γ coincidence measurements, and the results are presented in terms of the observed excitation energies and spins. Moreover, the reaction mechanism is qualitatively discussed as a transfer of a clusterlike particle within a distorted-wave Born approximation framework. The results indicate that cluster-transfer reactions can be described well as a direct process and that they can be an efficient method to investigate the structure of neutron-rich nuclei at medium-high excitation energies and spins.

  13. Cluster-transfer reactions with radioactive beams: A spectroscopic tool for neutron-rich nuclei

    DOE PAGES

    Bottoni, S.; Leoni, S.; Fornal, B.; ...

    2015-08-27

    An exploratory experiment performed at REX-ISOLDE to investigate cluster-transfer reactions with radioactive beams in inverse kinematics is presented. The aim of the experiment was to test the potential of cluster-transfer reactions at the Coulomb barrier as a mechanism to explore the structure of exotic neutron-rich nuclei. The reactions 7Li(98Rb,αxn) and 7Li(98Rb,txn) were studied through particle-γ coincidence measurements, and the results are presented in terms of the observed excitation energies and spins. Moreover, the reaction mechanism is qualitatively discussed as a transfer of a clusterlike particle within a distorted-wave Born approximation framework. The results indicate that cluster-transfer reactions can be describedmore » well as a direct process and that they can be an efficient method to investigate the structure of neutron-rich nuclei at medium-high excitation energies and spins.« less

  14. Experimental and theoretical studies of ammonia generation: Reactions of H2 with neutral cobalt nitride clusters.

    PubMed

    Yin, Shi; Xie, Yan; Bernstein, Elliot R

    2012-09-28

    Ammonia generation through reaction of H(2) with neutral cobalt nitride clusters in a fast flow reactor is investigated both experimentally and theoretically. Single photon ionization at 193 nm is used to detect neutral cluster distributions through time-of-flight mass spectrometry. Co(m)N(n) clusters are generated through laser ablation of Co foil into N(2)/He expansion gas. Mass peaks Co(m)NH(2) (m = 6, 10) and Co(m)NH(3) (m = 7, 8, 9) are observed for reactions of H(2) with the Co(m)N(n) clusters. Observation of these products indicates that clusters Co(m)N (m = 7, 8, 9) have high reactivity with H(2) for ammonia generation. Density functional theory (DFT) calculations are performed to explore the potential energy surface for the reaction Co(7)N + 3∕2H(2) → Co(7)NH(3), and a barrierless, thermodynamically favorable pathway is obtained. An odd number of hydrogen atoms in Co(m)NH(3) (m = 7, 8, 9) probably come from the hydrogen molecule dissociation on two active cobalt nitride clusters based on the DFT calculations. Both experimental observations and theoretical calculations suggest that hydrogen dissociation on two active cobalt nitride clusters is the key step to form NH(3) in a gas phase reaction. A catalytic cycle for ammonia generation from N(2) and H(2) on a cobalt metal catalyst surface is proposed based on our experimental and theoretical investigations.

  15. Entrance Channel Dynamics of Hot and Cold Fusion Reactions Leading to Superheavy Elements

    NASA Astrophysics Data System (ADS)

    Umar, Sait; Oberacker, Volker

    2010-11-01

    One of the most fascinating research areas involving low-energy nuclear reactions is the search for superheavy elements. Experimentally, two approaches have been used for the synthesis of these elements, one utilizing closed shell nuclei with lead-based targets (cold-fusion), the other utilizing deformed actinide targets with ^48Ca projectiles (hot-fusion). In this talk we investigate the entrance channel dynamics for the reactions ^70Zn+^208Pb and ^48Ca+^238U using the fully microscopic time-dependent Hartree-Fock (TDHF) theory coupled with a density constraint [1-3]. We calculate excitation energies and capture cross-sections relevant for the study of superheavy formations. We discuss the deformation dependence of the ion-ion potential for the ^48Ca+^238U system and perform an alignment angle averaging for the calculation of the capture cross-section. The results show that this approach can generate results in good agreement with experiment and other theories.[4pt] [1] Umar, Oberacker, PRC 74, 061601(R) (2006).[0pt] [2] Umar, Oberacker, EPJA 39, 243 (2009).[0pt] [3] Umar, Maruhn, Itagaki, and Oberacker, PRL 104, 212503.

  16. Excited state reactions of metals in clusters: pluridimensional harpoon and solvation effects.

    PubMed

    Briant, M; Gaveau, M A; Fournier, P R; Mestdagh, J M; Visticot, J P; Soep, B

    2001-01-01

    Excited state reactions of metals produce electronically excited products efficiently, as revealed by studies performed both in the gas phase and in free Van der Waals complexes. The reaction mechanism is assigned to an excited state charge transfer from the metal to the molecular reactant (i.e. a harpoon mechanism). The present work uses the well established cluster isolated chemical reaction (CICR) technique and addresses these processes when the metal ... molecule Van der Waals pair is deposited at the surface of a large argon cluster. Such work is aimed at investigating the effect of the cluster substrate on the preparation and dynamics of the reaction. We have revisited the pluridimensional character of the harpoon reaction in these systems. More specifically, we studied the reaction of excited calcium with HBr near the calcium resonance line at 422.7 nm, forming CaBr in the A and B states. As in previous Van der Waals experiments, we could explore the dynamics of the reaction by recording action spectra. These spectra exhibit noticeable differences from those observed for unsupported Ca...HBr complexes. In particular the bending movement of the Ca...HBr complex which gives access to the transition state of the reaction is partly hindered by the presence of the argon cluster.

  17. Spatiotemporal clustering and temporal order in the excitable BZ reaction

    NASA Astrophysics Data System (ADS)

    Hastings, Harold M.; Sobel, Sabrina G.; Lemus, Arely; Yuen, Fiona; Peralta, Catalina; Cammalleri, Carolyn; Chabrel, Johan; Chaterpaul, Stephen; Frank, Claudia; Hilaire, Christian; Lang, Daniel; Ravinovitch, Daniel; Zaharakis, Alex

    2005-08-01

    The prototype experimental example of "spontaneous" pattern formation in an unstirred chemical medium is the oscillatory Belousov-Zhabotinsky (BZ) reaction: target patterns of outward-moving concentric rings are readily observed when the reaction is run in a thin layer in a Petri dish. In many experimental runs, new target centers appeared to form closer to pre-existing target centers than expected in a randomized model. Here we describe a simple direct test for the presence of temporal order in the spatiotemporal dynamics of target nucleation, and apply this test to detect significant temporal order in target formation in the ferroin-catalyzed BZ reaction. We also describe how mixing heterogeneity can generate temporal order, even in the absence of heterogeneous physical nucleating centers.

  18. Spatiotemporal clustering and temporal order in the excitable BZ reaction.

    PubMed

    Hastings, Harold M; Sobel, Sabrina G; Lemus, Arely; Yuen, Fiona; Peralta, Catalina; Cammalleri, Carolyn; Chabrel, Johan; Chaterpaul, Stephen; Frank, Claudia; Hilaire, Christian; Lang, Daniel; Ravinovitch, Daniel; Zaharakis, Alex

    2005-08-08

    The prototype experimental example of "spontaneous" pattern formation in an unstirred chemical medium is the oscillatory Belousov-Zhabotinsky (BZ) reaction: target patterns of outward-moving concentric rings are readily observed when the reaction is run in a thin layer in a Petri dish. In many experimental runs, new target centers appeared to form closer to pre-existing target centers than expected in a randomized model. Here we describe a simple direct test for the presence of temporal order in the spatiotemporal dynamics of target nucleation, and apply this test to detect significant temporal order in target formation in the ferroin-catalyzed BZ reaction. We also describe how mixing heterogeneity can generate temporal order, even in the absence of heterogeneous physical nucleating centers.

  19. Development of an enzymatic reaction device using magnetic bead-cluster handling

    NASA Astrophysics Data System (ADS)

    Shikida, Mitsuhiro; Takayanagi, Kentaro; Honda, Hiroyuki; Ito, Hiroshi; Sato, Kazuo

    2006-09-01

    We previously proposed a magnetic bead-cluster handling device for Micro-total analysis systems (Micro-TAS) and investigated its operation principle. The device does not need mechanical fluidic devices, such as pumps and valves, for handling solutions. We further developed the biochemical reaction unit chip, which is a key component in Micro-TAS, by applying a bead-cluster handling mechanism. We were able to do the enzymatic reaction by using hydrolysis between alkaline phosphatase and p-nitrophenyl phosphate. We also confirmed that the obtained calibration curves were linear during the enzymatic reaction. We had 70% reaction efficiency on the reaction chip by performing a comparative experiment. From these results, we concluded that our developed reaction chip is applicable to enzymatic immuno-assay systems.

  20. Chemistry of (and on) transition metal clusters: a Fourier transform ion cyclotron resonance study of the reaction of niobium cluster cations with nitric oxide.

    PubMed

    Harding, Daniel J; Oliver, Thomas A A; Walsh, Tiffany R; Drewello, Thomas; Woodruff, D Phil; Derrick, Peter J; Mackenzie, Stuart R

    2009-01-01

    The reactions of niobium cluster cations, Nb(+)(n) (n = 2-19), with nitric oxide have been investigated using Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR). The overall reaction rate constants are found to be in reasonable agreement with collision rates calculated using the surface charge capture model. The dominant reaction for small clusters (n <9) involves reaction-induced fragmentation resulting in the loss of either NbO or NbN. By contrast, the main reaction observed for the larger clusters (n> 11) is sequential NO chemisorption. Clusters n = 9, 10 exhibit both extremes of behaviour and are the only clusters upon which there is evidence of NO decomposition with N(2) loss observed whenever multiple NO molecules are co-adsorbed. The rate constants for each process have been determined as a function of cluster size.

  1. Oxidation induced ionization and reactions of metal carbide clusters (Nb, Zr, V, Ta)

    NASA Astrophysics Data System (ADS)

    Deng, H. T.; Kerns, K. P.; Bell, R. C.; Castleman, A. W.

    1997-11-01

    Following our recent report of the oxidation induced formation of Ti8C12+ (H.T. Deng, K.P. Kerns, and A.W. Castleman, Jr., J. Chem. Phys. 104 (1996) 4862), the oxidation induced ionization of niobium and zirconium carbide clusters are studied using a triple quadrupole mass spectrometer coupled with a laser induced plasma reaction source. It was found that reactions of both of these neutral carbide clusters with dioxygen leads to formation of carbide ions. The ion product distributions show that zirconium carbide clusters mainly take the form of Met--Car cations, but niobium carbide clusters favor a cubic-like crystalline pattern. Furthermore, reactions of mass-selected NbxCy+ with dioxygen result in a sequential loss of C2 units from NbxCy+, and leads to formation of Nbx+ and NbxC+ depending on y being an even or odd number. However, NbxCy+ shows comparably low reactivity towards nitrous oxide through a single oxygen abstraction mechanism. In comparison with the reaction products of VxCy+ with dioxygen, the complementary information obtained in the present study suggests that the C2 unit is a basic building block for formation of small early transition metal carbide clusters. The oxidation induced ionization mechanisms are also discussed in relation with the stability, ionization potentials, and structures of the clusters.

  2. Infrared driven CO oxidation reactions on isolated platinum cluster oxides, Pt(n)O(m)+.

    PubMed

    Hermes, Alexander C; Hamilton, Suzanne M; Cooper, Graham A; Kerpal, Christian; Harding, Dan J; Meijer, Gerard; Fielicke, André; Mackenzie, Stuart R

    2012-01-01

    This collaboration has recently shown that infrared excitation can drive decomposition reactions of molecules on the surface of gas-phase transition metal clusters. We describe here a significant extension of this work to the study of bimolecular reactions initiated in a similar manner. Specifically, we have observed the infrared activated CO oxidation reaction (CO(ads) + O(ads) --> CO2(g)) on isolated platinum oxide cations, Pt(n)O(m)+. Small platinum cluster oxides Pt(n)O(m)+ (n = 3-7, m = 2, 4), have been decorated with CO molecules and subjected to multiple photon infrared excitation in the range 400-2200 cm(-1) using the Free Electron Laser for Infrared eXperiments (FELIX). The Pt(n)O(m)CO+ clusters have been characterised by infrared multiple photon dissociation spectroscopy using messenger atom tagging. Evidence is observed for isomers involving both dissociatively and molecularly adsorbed oxygen on the cluster surface. Further information is obtained on the evolution of the cluster structure with number of platinum atoms and CO coverage. In separate experiments, Pt(n)O(m)CO+ clusters have been subjected to infrared heating via the CO stretch around 2100 cm(-1). On all clusters investigated, the CO oxidation reaction, indicated by CO2 loss and production of Pt(n)O(m) = 1+, is found to compete effectively with the CO desorption channel. The experimental observations are compared with the results of preliminary DFT calculations in order to identify both cluster structures and plausible mechanisms for the surface reaction.

  3. Characterization of Anionic Cluster Nucleophilic Substitution Reaction Intermediates

    NASA Astrophysics Data System (ADS)

    Cyr, Donna Marie

    Recent theoretical and experimental developments in the arena of the gas phase S_{rm N}2 reaction (X^- + RY to RX + Y^-) has rekindled interest in this classic chemical reaction. Consideration of the gas phase S_{rm N} 2 double minima potential surface from a valence bond perspective, advocated by Shaik et. al., predicts the presence of a low lying excited electronic state corresponding to electron transfer. In this work we take advantage of long range ion-molecule induced forces to stabilize the S_{rm N}2 reactants in a complex, X^-cdot RY, allowing us to search for this charge transfer excited state from the well defined location on the potential energy surface. Photoelectron spectroscopy of X^ - cdot RY confirms the identification of the species as essentially charge-localized. Vibrational fine structure observed in the case of I^- cdot CH_3I is found to be consistent with small distortions of the CH_3I neutral upon complexation to form a stable intermediate in the S_{rm N}2 identity reaction. A narrow photofragmentation band lies just below the vertical electron detachment energy and is assigned to the X^- cdot RY to X cdotcdot (RY) ^- charge transfer excited state. More detailed study of the photofragmentation band reveals the photoexcitation mechanism is not direct charge transfer but is mediated by a weakly bound negative ion state. The excited state photochemistry of the X ^- cdot RY reaction intermediates is characterized by the formation of the endothermic halide abstraction product XY^-. Trends in the formation of the dihalide product are strongly dependent of the nature of the R group and these results are consistent with a preferential ion binding site in the complex. Search for the XY^- dihalide product in the bimolecular ground state reaction at supra-thermal collision energies revealed halide abstraction as a competitive product channel to the well known Walden inversion mechanism. All of these results are integrated in the development a picture of

  4. Cold adaptations.

    PubMed

    Launay, Jean-Claude; Savourey, Gustave

    2009-07-01

    Nowdays, occupational and recreational activities in cold environments are common. Exposure to cold induces thermoregulatory responses like changes of behaviour and physiological adjustments to maintain thermal balance either by increasing metabolic heat production by shivering and/or by decreasing heat losses consecutive to peripheral cutaneous vasoconstriction. Those physiological responses present a great variability among individuals and depend mainly on biometrical characteristics, age, and general cold adaptation. During severe cold exposure, medical disorders may occur such as accidental hypothermia and/or freezing or non-freezing cold injuries. General cold adaptations have been qualitatively classified by Hammel and quantitatively by Savourey. This last classification takes into account the quantitative changes of the main cold reactions: higher or lower metabolic heat production, higher or lesser heat losses and finally the level of the core temperature observed at the end of a standardized exposure to cold. General cold adaptations observed previously in natives could also be developed in laboratory conditions by continuous or intermittent cold exposures. Beside general cold adaptation, local cold adaptation exists and is characterized by a lesser decrease of skin temperature, a more pronounced cold induced vasodilation, less pain and a higher manual dexterity. Adaptations to cold may reduce the occurrence of accidents and improve human performance as surviving in the cold. The present review describes both general and local cold adaptations in humans and how they are of interest for cold workers.

  5. Metastable dissociation of metallocarbohedrenes. Reaction channels and cluster stabilities

    SciTech Connect

    Wei, S.; Guo, B.C.; Purnell, J.; Buzza, S.A.; Castleman, A.W. Jr. )

    1993-09-23

    An investigation of the metastable unimolecular dissociation channels and decay fractions of Ti[sub m]C[sub n][sup +] was made using a reflection time-of-flight mass spectrometer, coupled with a laser vaporization source in conjunction with multiphoton ionization. The measurements of the decay fractions show that TigC[sub 12][sup +] is a very stable species in accordance with expectation for a closed cagelike structure and, most importantly, provide the first available data on the relative stabilities for different cluster ions involved in the formation of metallocarbohedrenes (Met-Cars). Furthermore, the results reveal that the Ti[sub 8]C[sub n][sup +] mainly lose carbon species for n [ge] 14, while Ti[sub m]C[sub 12][sup +] loses only Ti for m [ge] 6 and both Ti and C[sub 3] for m = 4 and 5; C[sub 2] is never a product of decomposition for this range of Met-Car related species. The present findings are valuable in providing qualitative information for assessing theoretical calculations of structures and properties of metallocarbohedrenes and their building blocks. 32 refs., 2 figs., 1 tab.

  6. Ammonia-acetone mixed clusters: Internal ion-molecule reactions, structure, and bonding

    SciTech Connect

    Tzeng, W.B.; Wei, S.; Neyer, D.W.; Keesee, R.G.; Castleman, A.W. Jr. )

    1990-05-23

    Internal ion-molecule reactions in mixed ammonia-acetone clusters are studied by use of multiphoton ionization. Some differences in the branching ratios that arise in the clusters produced by using three clustering methods serve to elucidate reaction mechanisms. In experiments involving the coexpansion of the vapors, the ion intensity ratio ((C{sub 3}H{sub 6}O){sub m+1}{sup +})/(C{sub 3}H{sub 6}O){sub m}{center dot}H{sup +} increases as the ammonia/acetone mixing ratio increases. The result indicates that the unprotonated cluster ions (C{sub 3}H{sub 6}O){sub m+1}{sup +} result from the ionization of the mixed clusters (NH{sub 3}){sub p}{center dot}(C{sub 3}H{sub 6}O){sub q} and, most importantly, suggests that the keto form of the ion is responsible for photon transfer in this system. In the second method, involving the attachment of acetone to preformed ammonia clusters, the acetone molecules strongly interact with the preformed neat ammonia clusters to form long-lived mixed neutral acetone-molecule clusters (NH{sub 3}){sub p}{center dot}(C{sub 3}H{sub 6}O){sub q}. When mixed neutral clusters are formed by the addition of ammonia to preexisting acetone clusters, only small signals of ((NH{sub 3}){sub n}{center dot}(C{sub 3}H{sub 6}O){sub m})H{sup +} ion peaks for n = 1 and m = 1-4 are observed, even at high ammonia flow rates.

  7. On the Bonding Mechanism in Cold Spray of Deformable hex-BN-Ni Clusters

    NASA Astrophysics Data System (ADS)

    Neshastehriz, M.; Smid, I.; Segall, A. E.; Eden, T. J.

    2016-06-01

    Bond strength and the lubrication potential of coatings made of 7 µm Hexagonal Boron Nitride particles encapsulated with nickel (hBN-Ni), and deposited onto aluminum 6061 substrates via cold spray were examined; for all tests, N2 was used as the carrier gas at a temperature of 480 °C and pressure of 2.4 MPa. Results showed significant improvement in both wear resistance and reduced surface friction. Coated samples also demonstrated unexpected high bond strength, which was much greater than pure nickel cold sprayed onto aluminum. However, while the results were truly promising, the primary reason for the observed high bond strength could not be explained using existing cold spray theories which were primarily developed for pure metal particles. Based on the present findings compared to cold-sprayed layers of composite nickel-nickel (nickel particles encapsulated with nickel), a mechanism for bonding of hBN-Ni particles to aluminum based on the level of plastic deformation and hardenability is proposed. Indeed, the high bond strength between the coating and substrate is related to the relatively high initial ductility of the nickel encapsulation, compliance of the hBN, as well as the ensuing significant plastic deformation of the composite particles during cold spray deposition.

  8. Production of Protonated Methanol Ions Via Intermolecular Reactions within Van der Waals Clusters of Dime Dimethyl Ether. Revision

    DTIC Science & Technology

    1990-02-02

    preparation (17) This result also suggests that the protonated methanol ion is not produced via a reaction between the DME cluster and a water impurity. In...include Security Classification) Production ol Protonated Methanol Ions via "Intermolecular" Reactions within van der Waals Clusters of Dimethyl Ether...2/90 Production of Protonated Methanol Ions via "Intermolecular" Reactions within van der Waals Clusters of Dimethyl Ether M. Todd Coolbaugh, William

  9. Cold gas in cluster cores: global stability analysis and non-linear simulations of thermal instability

    NASA Astrophysics Data System (ADS)

    Choudhury, Prakriti Pal; Sharma, Prateek

    2016-04-01

    We perform global linear stability analysis and idealized numerical simulations in global thermal balance to understand the condensation of cold gas from hot/virial atmospheres (coronae), in particular the intracluster medium (ICM). We pay particular attention to geometry (e.g. spherical versus plane-parallel) and the nature of the gravitational potential. Global linear analysis gives a similar value for the fastest growing thermal instability modes in spherical and Cartesian geometries. Simulations and observations suggest that cooling in haloes critically depends on the ratio of the cooling time to the free-fall time (tcool/tff). Extended cold gas condenses out of the ICM only if this ratio is smaller than a threshold value close to 10. Previous works highlighted the difference between the nature of cold gas condensation in spherical and plane-parallel atmospheres; namely, cold gas condensation appeared easier in spherical atmospheres. This apparent difference due to geometry arises because the previous plane-parallel simulations focused on in situ condensation of multiphase gas but spherical simulations studied condensation anywhere in the box. Unlike previous claims, our non-linear simulations show that there are only minor differences in cold gas condensation, either in situ or anywhere, for different geometries. The amount of cold gas depends on the shape of tcool/tff; gas has more time to condense if gravitational acceleration decreases towards the centre. In our idealized plane-parallel simulations with heating balancing cooling in each layer, there can be significant mass/energy/momentum transfer across layers that can trigger condensation and drive tcool/tff far beyond the critical value close to 10.

  10. Nattoh model for cold fusion

    SciTech Connect

    Matsumoto, T. . Dept. of Nuclear Engineering)

    1989-12-01

    A hypothetical model, the Nattoh model, is proposed to answer the questions that result from cold fusion experiments. This model proposes the formation of a small cluster of deuterons and examines the feasibility of many-body fusion reactions. The gamma-ray spectrum, heat production, neutron emissions, and fusion products are discussed.

  11. Temperature behavior of exothermic reaction of Al/Ni multilayer powder materials based on cold-rolling and pulverizing method

    NASA Astrophysics Data System (ADS)

    Kametani, Nagamasa; Izumi, Taisei; Miyake, Shugo; Kanetsuki, Shunsuke; Namazu, Takahiro

    2017-06-01

    In this paper, the characteristics of self-propagating exothermic reactions of an Al/Ni multilayer powder materials fabricated by a cold-rolling and powdering procedure are reported as initial findings of the first trial on a heat source for various applications with the energy-saving feature. Experimental results showed that, following the reaction of the developed Al/Ni multilayer powder materials in air atmosphere, the maximum temperature increased from approximately 1450 °C to over 1768 °C with increasing number of passes from 20 to 40 in cold-rolling. Furthermore, observations by scanning electron microscopy and crystallographic identification by X-ray diffraction measurements showed that the multilayer structure of powdered Al/Ni after 40 passes of cold-rolling was deformed, became thinner with below sub-micrometer thickness, and almost completely reacted to NiAl intermetallic compounds. It is possible that optimizing cold-rolling conditions enables us to control exothermic heat, which will be useful for heat sources.

  12. X-ray clusters from a high-resolution hydrodynamic PPM simulation of the cold dark matter universe

    NASA Technical Reports Server (NTRS)

    Bryan, Greg L.; Cen, Renyue; Norman, Michael L.; Ostriker, Jermemiah P.; Stone, James M.

    1994-01-01

    A new three-dimensional hydrodynamic code based on the piecewise parabolic method (PPM) is utilized to compute the distribution of hot gas in the standard Cosmic Background Explorer (COBE)-normalized cold dark matter (CDM) universe. Utilizing periodic boundary conditions, a box with size 85 h(exp-1) Mpc, having cell size 0.31 h(exp-1) Mpc, is followed in a simulation with 270(exp 3)=10(exp 7.3) cells. Adopting standard parameters determined from COBE and light-element nucleosynthesis, Sigma(sub 8)=1.05, Omega(sub b)=0.06, we find the X-ray-emitting clusters, compute the luminosity function at several wavelengths, the temperature distribution, and estimated sizes, as well as the evolution of these quantities with redshift. The results, which are compared with those obtained in the preceding paper (Kang et al. 1994a), may be used in conjuction with ROSAT and other observational data sets. Overall, the results of the two computations are qualitatively very similar with regard to the trends of cluster properties, i.e., how the number density, radius, and temeprature depend on luminosity and redshift. The total luminosity from clusters is approximately a factor of 2 higher using the PPM code (as compared to the 'total variation diminishing' (TVD) code used in the previous paper) with the number of bright clusters higher by a similar factor. The primary conclusions of the prior paper, with regard to the power spectrum of the primeval density perturbations, are strengthened: the standard CDM model, normalized to the COBE microwave detection, predicts too many bright X-ray emitting clusters, by a factor probably in excess of 5. The comparison between observations and theoretical predictions for the evolution of cluster properties, luminosity functions, and size and temperature distributions should provide an important discriminator among competing scenarios for the development of structure in the universe.

  13. X-ray clusters from a high-resolution hydrodynamic PPM simulation of the cold dark matter universe

    NASA Technical Reports Server (NTRS)

    Bryan, Greg L.; Cen, Renyue; Norman, Michael L.; Ostriker, Jermemiah P.; Stone, James M.

    1994-01-01

    A new three-dimensional hydrodynamic code based on the piecewise parabolic method (PPM) is utilized to compute the distribution of hot gas in the standard Cosmic Background Explorer (COBE)-normalized cold dark matter (CDM) universe. Utilizing periodic boundary conditions, a box with size 85 h(exp-1) Mpc, having cell size 0.31 h(exp-1) Mpc, is followed in a simulation with 270(exp 3)=10(exp 7.3) cells. Adopting standard parameters determined from COBE and light-element nucleosynthesis, Sigma(sub 8)=1.05, Omega(sub b)=0.06, we find the X-ray-emitting clusters, compute the luminosity function at several wavelengths, the temperature distribution, and estimated sizes, as well as the evolution of these quantities with redshift. The results, which are compared with those obtained in the preceding paper (Kang et al. 1994a), may be used in conjuction with ROSAT and other observational data sets. Overall, the results of the two computations are qualitatively very similar with regard to the trends of cluster properties, i.e., how the number density, radius, and temeprature depend on luminosity and redshift. The total luminosity from clusters is approximately a factor of 2 higher using the PPM code (as compared to the 'total variation diminishing' (TVD) code used in the previous paper) with the number of bright clusters higher by a similar factor. The primary conclusions of the prior paper, with regard to the power spectrum of the primeval density perturbations, are strengthened: the standard CDM model, normalized to the COBE microwave detection, predicts too many bright X-ray emitting clusters, by a factor probably in excess of 5. The comparison between observations and theoretical predictions for the evolution of cluster properties, luminosity functions, and size and temperature distributions should provide an important discriminator among competing scenarios for the development of structure in the universe.

  14. Reactions of metal cluster anions with inorganic and organic molecules in the gas phase.

    PubMed

    Zhao, Yan-Xia; Liu, Qing-Yu; Zhang, Mei-Qi; He, Sheng-Gui

    2016-07-28

    The study of gas phase ion-molecule reactions by state-of-the-art mass spectrometric experiments in conjunction with quantum chemistry calculations offers an opportunity to clarify the elementary steps and mechanistic details of bond activation and conversion processes. In the past few decades, a considerable number of publications have been devoted to the ion-molecule reactions of metal clusters, the experimentally and theoretically tractable models for the active phase of condensed phase systems. The focus of this perspective concerns progress on activation and transformation of important inorganic and organic molecules by negatively charged metal clusters. The metal cluster anions cover bare metal clusters as well as ligated systems with oxygen, carbon, and nitrogen, among others. The following important issues have been summarized and discussed: (i) dependence of chemical reactivity and selectivity on cluster structures and sizes, metals and metal oxidation states, odd-even electron numbers, etc. and (ii) effects of doping, ligation, and pre-adsorption on the reactivity of metal clusters toward rather inert molecules.

  15. Chemical reactions studied at ultra-low temperature in liquid helium clusters

    SciTech Connect

    Huisken, Friedrich; Krasnokutski, Serge A.

    2012-11-27

    Low-temperature reaction rates are important ingredients for astrophysical reaction networks modeling the formation of interstellar matter in molecular clouds. Unfortunately, such data is difficult to obtain by experimental means. In an attempt to study low-temperature reactions of astrophysical interest, we have investigated relevant reactions at ultralow temperature in liquid helium droplets. Being prepared by supersonic expansion of helium gas at high pressure through a nozzle into a vacuum, large helium clusters in the form of liquid droplets constitute nano-sized reaction vessels for the study of chemical reactions at ultra-low temperature. If the normal isotope {sup 4}He is used, the helium droplets are superfluid and characterized by a constant temperature of 0.37 K. Here we present results obtained for Mg, Al, and Si reacting with O{sub 2}. Mass spectrometry was employed to characterize the reaction products. As it may be difficult to distinguish between reactions occurring in the helium droplets before they are ionized and ion-molecule reactions taking place after the ionization, additional techniques were applied to ensure that the reactions actually occurred in the helium droplets. This information was provided by measuring the chemiluminescence light emitted by the products, the evaporation of helium atoms by the release of the reaction heat, or by laser-spectroscopic identification of the reactants and products.

  16. Model of defect reactions and the influence of clustering in pulse-neutron-irradiated Si

    SciTech Connect

    Myers, S. M.; Cooper, P. J.; Wampler, W. R.

    2008-08-15

    Transient reactions among irradiation defects, dopants, impurities, and carriers in pulse-neutron-irradiated Si were modeled taking into account the clustering of the primal defects in recoil cascades. Continuum equations describing the diffusion, field drift, and reactions of relevant species were numerically solved for a submicrometer spherical volume, within which the starting radial distributions of defects could be varied in accord with the degree of clustering. The radial profiles corresponding to neutron irradiation were chosen through pair-correlation-function analysis of vacancy and interstitial distributions obtained from the binary-collision code MARLOWE, using a spectrum of primary recoil energies computed for a fast-burst fission reactor. Model predictions of transient behavior were compared with a variety of experimental results from irradiated bulk Si, solar cells, and bipolar-junction transistors. The influence of defect clustering during neutron bombardment was further distinguished through contrast with electron irradiation, where the primal point defects are more uniformly dispersed.

  17. Cluster geometry and survival probability in systems driven by reaction diffusion dynamics

    NASA Astrophysics Data System (ADS)

    Windus, Alastair; Jensen, Henrik J.

    2008-11-01

    We consider a reaction-diffusion model incorporating the reactions A→phi, A→2A and 2A→3A. Depending on the relative rates for sexual and asexual reproduction of the quantity A, the model exhibits either a continuous or first-order absorbing phase transition to an extinct state. A tricritical point separates the two phase lines. While we comment on this critical behaviour, the main focus of the paper is on the geometry of the population clusters that form. We observe the different cluster structures that arise at criticality for the three different types of critical behaviour and show that there exists a linear relationship for the survival probability against initial cluster size at the tricritical point only.

  18. Measurement of the parity-violating asymmetry in the reactions of cold polarized neutrons and light nuclei 6Li, 10B

    NASA Astrophysics Data System (ADS)

    Vesna, V. A.; Gledenov, Yu. M.; Nesvizhevsky, V. V.; Petukhov, A. K.; Sedyshev, P. V.; Soldner, T.; Shulgina, E. V.

    2009-08-01

    We present two measurements of parity-violating secondary particle emission asymmetry in the reactions of polarized cold neutrons and light nuclei. We aim at studies of the neutral weak currents in nucleon-nucleon interaction. First, we describe the triton emission asymmetry in the Li6(n,α)H3 reaction. It is equal to αP-odd6=-(8.8±2.1)ṡ10. Second, we present the γ-rays emission asymmetry in the nuclear reaction B10(n,α)Li∗7→γ→Li7(g.s.). The result is αP-odd10=+(0.8±3.9)ṡ10. Using these values, we constrain the weak neutral current constant in framework of the cluster model fπ6⩽1.1ṡ10 and fπ10⩽2.4ṡ10 (at 90% c.i.). Both these constrains contradict to “the best” DDH value of fπDDH=4.6ṡ10.

  19. Dependence of the Reaction Probability of Benzene on the Size of Gaseous Niobium Clusters.

    DTIC Science & Technology

    1987-01-14

    of NbxC6 to that of NbxC,6 + Nb4 ’M6 at low excimer laser intensities is used as a measure of the observed conversion of NbC&H6 into Nb C5. This...gives an expanded version of the reaction product mass spectrum in the Nb4 to Nb ! range. Marked on the figure are the mass peaks for the NbxC6H6 and...6 being more intense. Reaction of the NbxO, clusters goes essentially unnoticed in the benzene reaction spectrum. Only in the region from Nb4 to

  20. Gas phase vibrational spectroscopy of cold (TiO 2 ) n - (n = 3-8) clusters

    NASA Astrophysics Data System (ADS)

    Weichman, Marissa L.; Song, Xiaowei; Fagiani, Matias R.; Debnath, Sreekanta; Gewinner, Sandy; Schöllkopf, Wieland; Neumark, Daniel M.; Asmis, Knut R.

    2016-03-01

    We report infrared photodissociation (IRPD) spectra for the D2-tagged titanium oxide cluster anions (TiO 2 ) n - with n = 3-8 in the spectral region from 450 to 1200 cm-1. The IRPD spectra are interpreted with the aid of harmonic spectra from BP86/6-311+G* density functional theory calculations of energetically low-lying isomers. We conclusively assign the IRPD spectra of the n = 3 and n = 6 clusters to global minimum energy structures with Cs and C2 symmetry, respectively. The vibrational spectra of the n = 4 and n = 7 clusters can be attributed to contributions of at most two low-lying structures. While our calculations indicate that the n = 5 and n = 8 clusters have many more low-lying isomers than the other clusters, the dominant contributions to their spectra can be assigned to the lowest energy structures. Through comparison between the calculated and experimental spectra, we can draw conclusions about the size-dependent evolution of the properties of (TiO 2 ) n - clusters, and on their potential utility as model systems for catalysis on a bulk TiO2 surface.

  1. Gas phase vibrational spectroscopy of cold (TiO2)n(-) (n = 3-8) clusters.

    PubMed

    Weichman, Marissa L; Song, Xiaowei; Fagiani, Matias R; Debnath, Sreekanta; Gewinner, Sandy; Schöllkopf, Wieland; Neumark, Daniel M; Asmis, Knut R

    2016-03-28

    We report infrared photodissociation (IRPD) spectra for the D2-tagged titanium oxide cluster anions (TiO2)n(-) with n = 3-8 in the spectral region from 450 to 1200 cm(-1). The IRPD spectra are interpreted with the aid of harmonic spectra from BP86/6-311+G* density functional theory calculations of energetically low-lying isomers. We conclusively assign the IRPD spectra of the n = 3 and n = 6 clusters to global minimum energy structures with Cs and C2 symmetry, respectively. The vibrational spectra of the n = 4 and n = 7 clusters can be attributed to contributions of at most two low-lying structures. While our calculations indicate that the n = 5 and n = 8 clusters have many more low-lying isomers than the other clusters, the dominant contributions to their spectra can be assigned to the lowest energy structures. Through comparison between the calculated and experimental spectra, we can draw conclusions about the size-dependent evolution of the properties of (TiO2)n(-) clusters, and on their potential utility as model systems for catalysis on a bulk TiO2 surface.

  2. Photonuclear reaction as a probe for α -clustering nuclei in the quasi-deuteron region

    NASA Astrophysics Data System (ADS)

    Huang, B. S.; Ma, Y. G.; He, W. B.

    2017-03-01

    Photon-nuclear reaction in a transport model frame, namely an extended quantum molecular dynamics model, has been realized at the photon energy of 70-140 MeV in the quasi-deuteron regime. For an important application, we pay a special focus on photonuclear reactions of 12C(γ ,n p )10B where 12C is considered as different configurations including α clustering. Obvious differences for some observables have been observed among different configurations, which can be attributed to spatial-momentum correlation of a neutron-proton pair inside nucleus, and therefore it gives us a sensitive probe to distinguish the different configurations including α clustering with the help of the photonuclear reaction mechanism.

  3. Tailoring of Pd-Pt bimetallic clusters with high stability for oxygen reduction reaction

    NASA Astrophysics Data System (ADS)

    Cheng, Daojian; Wang, Wenchuan

    2012-03-01

    The composition-dependent equilibrium structure and thermal stability of Pd-Pt clusters with the size of 55 atoms, and CO, O, OH, and O2 adsorption on these clusters have been studied using molecular simulation based on the Gupta empirical potential and density functional theory (DFT) calculations. It is found that Pd43Pt12 with a three-shell onionlike structure (TS-cluster) exhibits the highest relative stability in both DFT and Gupta levels and also the highest melting point at the Gupta level among these Pd-Pt clusters. In addition, the Pd43Pt12 TS-cluster possesses the weakest CO, O, OH, and O2 adsorption strength, compared to the Pt55, Pd55, and Pd13Pt42 clusters, indicating good catalytic activities toward the oxygen reduction reaction (ORR) among these Pd-Pt clusters considered. We expect that this kind of DFT-guided strategy by controlling the composition could provide a simple way for possibly searching new electrocatalysts.

  4. Tailoring of Pd-Pt bimetallic clusters with high stability for oxygen reduction reaction.

    PubMed

    Cheng, Daojian; Wang, Wenchuan

    2012-04-07

    The composition-dependent equilibrium structure and thermal stability of Pd-Pt clusters with the size of 55 atoms, and CO, O, OH, and O(2) adsorption on these clusters have been studied using molecular simulation based on the Gupta empirical potential and density functional theory (DFT) calculations. It is found that Pd(43)Pt(12) with a three-shell onionlike structure (TS-cluster) exhibits the highest relative stability in both DFT and Gupta levels and also the highest melting point at the Gupta level among these Pd-Pt clusters. In addition, the Pd(43)Pt(12) TS-cluster possesses the weakest CO, O, OH, and O(2) adsorption strength, compared to the Pt(55), Pd(55), and Pd(13)Pt(42) clusters, indicating good catalytic activities toward the oxygen reduction reaction (ORR) among these Pd-Pt clusters considered. We expect that this kind of DFT-guided strategy by controlling the composition could provide a simple way for possibly searching new electrocatalysts. This journal is © The Royal Society of Chemistry 2012

  5. Hot gas in the cold dark matter scenario: X-ray clusters from a high-resolution numerical simulation

    NASA Technical Reports Server (NTRS)

    Kang, Hyesung; Cen, Renyue; Ostriker, Jeremiah P.; Ryu, Dongsu

    1994-01-01

    A new, three-dimensional, shock-capturing hydrodynamic code is utilized to determine the distribution of hot gas in a standard cold dark matter (CDM) model of the universe. Periodic boundary conditions are assumed: a box with size 85 h(exp -1) Mpc having cell size 0.31 h(exp -1) Mpc is followed in a simulation with 270(exp 3) = 10(exp 7.3) cells. Adopting standard parameters determined from COBE and light-element nucleosynthesis, sigma(sub 8) = 1.05, omega(sub b) = 0.06, and assuming h = 0.5, we find the X-ray-emitting clusters and compute the luminosity function at several wavelengths, the temperature distribution, and estimated sizes, as well as the evolution of these quantities with redshift. We find that most of the total X-ray emissivity in our box originates in a relatively small number of identifiable clusters which occupy approximately 10(exp -3) of the box volume. This standard CDM model, normalized to COBE, produces approximately 5 times too much emission from clusters having L(sub x) is greater than 10(exp 43) ergs/s, a not-unexpected result. If all other parameters were unchanged, we would expect adequate agreement for sigma(sub 8) = 0.6. This provides a new and independent argument for lower small-scale power than standard CDM at the 8 h(exp -1) Mpc scale. The background radiation field at 1 keV due to clusters in this model is approximately one-third of the observed background, which, after correction for numerical effects, again indicates approximately 5 times too much emission and the appropriateness of sigma(sub 8) = 0.6. If we have used the observed ratio of gas to total mass in clusters, rather than basing the mean density on light-element nucleosynthesis, then the computed luminosity of each cluster would have increased still further, by a factor of approximately 10. The number density of clusters increases to z approximately 1, but the luminosity per typical cluster decreases, with the result that evolution in the number density of bright

  6. Hot gas in the cold dark matter scenario: X-ray clusters from a high-resolution numerical simulation

    NASA Technical Reports Server (NTRS)

    Kang, Hyesung; Cen, Renyue; Ostriker, Jeremiah P.; Ryu, Dongsu

    1994-01-01

    A new, three-dimensional, shock-capturing hydrodynamic code is utilized to determine the distribution of hot gas in a standard cold dark matter (CDM) model of the universe. Periodic boundary conditions are assumed: a box with size 85 h(exp -1) Mpc having cell size 0.31 h(exp -1) Mpc is followed in a simulation with 270(exp 3) = 10(exp 7.3) cells. Adopting standard parameters determined from COBE and light-element nucleosynthesis, sigma(sub 8) = 1.05, omega(sub b) = 0.06, and assuming h = 0.5, we find the X-ray-emitting clusters and compute the luminosity function at several wavelengths, the temperature distribution, and estimated sizes, as well as the evolution of these quantities with redshift. We find that most of the total X-ray emissivity in our box originates in a relatively small number of identifiable clusters which occupy approximately 10(exp -3) of the box volume. This standard CDM model, normalized to COBE, produces approximately 5 times too much emission from clusters having L(sub x) is greater than 10(exp 43) ergs/s, a not-unexpected result. If all other parameters were unchanged, we would expect adequate agreement for sigma(sub 8) = 0.6. This provides a new and independent argument for lower small-scale power than standard CDM at the 8 h(exp -1) Mpc scale. The background radiation field at 1 keV due to clusters in this model is approximately one-third of the observed background, which, after correction for numerical effects, again indicates approximately 5 times too much emission and the appropriateness of sigma(sub 8) = 0.6. If we have used the observed ratio of gas to total mass in clusters, rather than basing the mean density on light-element nucleosynthesis, then the computed luminosity of each cluster would have increased still further, by a factor of approximately 10. The number density of clusters increases to z approximately 1, but the luminosity per typical cluster decreases, with the result that evolution in the number density of bright

  7. Hot gas in the cold dark matter scenario: X-ray clusters from a high-resolution numerical simulation

    NASA Astrophysics Data System (ADS)

    Kang, Hyesung; Cen, Renyue; Ostriker, Jeremiah P.; Ryu, Dongsu

    1994-06-01

    A new, three-dimensional, shock-capturing hydrodynamic code is utilized to determine the distribution of hot gas in a standard cold dark matter (CDM) model of the universe. Periodic boundary conditions are assumed: a box with size 85 h-1 Mpc having cell size 0.31 h-1 Mpc is followed in a simulation with 2703 = 107.3 cells. Adopting standard parameters determined from COBE and light-element nucleosynthesis, sigma8 = 1.05, omegab = 0.06, and assuming h = 0.5, we find the X-ray-emitting clusters and compute the luminosity function at several wavelengths, the temperature distribution, and estimated sizes, as well as the evolution of these quantities with redshift. We find that most of the total X-ray emissivity in our box originates in a relatively small number of identifiable clusters which occupy approximately 10-3 of the box volume. This standard CDM model, normalized to COBE, produces approximately 5 times too much emission from clusters having Lx is greater than 1043 ergs/s, a not-unexpected result. If all other parameters were unchanged, we would expect adequate agreement for sigma8 = 0.6. This provides a new and independent argument for lower small-scale power than standard CDM at the 8 h-1 Mpc scale. The background radiation field at 1 keV due to clusters in this model is approximately one-third of the observed background, which, after correction for numerical effects, again indicates approximately 5 times too much emission and the appropriateness of sigma8 = 0.6. If we have used the observed ratio of gas to total mass in clusters, rather than basing the mean density on light-element nucleosynthesis, then the computed luminosity of each cluster would have increased still further, by a factor of approximately 10. The number density of clusters increases to z approximately 1, but the luminosity per typical cluster decreases, with the result that evolution in the number density of bright clusters is moderate in this redshift range, showing a broad peak near z = 0

  8. Is there a giant Kelvin-Helmholtz instability in the sloshing cold front of the Perseus cluster?

    NASA Astrophysics Data System (ADS)

    Walker, S. A.; Hlavacek-Larrondo, J.; Gendron-Marsolais, M.; Fabian, A. C.; Intema, H.; Sanders, J. S.; Bamford, J. T.; van Weeren, R.

    2017-06-01

    Deep observations of nearby galaxy clusters with Chandra have revealed concave 'bay' structures in a number of systems (Perseus, Centaurus and Abell 1795), which have similar X-ray and radio properties. These bays have all the properties of cold fronts, where the temperature rises and density falls sharply, but are concave rather than convex. By comparing to simulations of gas sloshing, we find that the bay in the Perseus cluster bears a striking resemblance in its size, location and thermal structure, to a giant (≈50 kpc) roll resulting from Kelvin-Helmholtz instabilities. If true, the morphology of this structure can be compared to simulations to put constraints on the initial average ratio of the thermal and magnetic pressure, β = pth/pB, throughout the overall cluster before the sloshing occurs, for which we find β = 200 to best match the observations. Simulations with a stronger magnetic field (β = 100) are disfavoured, as in these the large Kelvin-Helmholtz rolls do not form, while in simulations with a lower magnetic field (β = 500), the level of instabilities is much larger than is observed. We find that the bay structures in Centaurus and Abell 1795 may also be explained by such features of gas sloshing.

  9. Is there a giant Kelvin-Helmholtz instability in the sloshing cold front of the Perseus cluster?

    NASA Astrophysics Data System (ADS)

    Walker, Stephen; Hlavacek-Larrondo, Julie; Gendron-Marsolais, Marie-Lou; Fabian, Andrew C.; Intema, Huib; Sanders, Jeremy

    2017-08-01

    Deep observations of nearby galaxy clusters with Chandra have revealed concave 'bay' structures in a number of systems (Perseus, Centaurus and Abell 1795), which have similar X-ray and radio properties. These bays have all the properties of cold fronts, where the temperature rises and density falls sharply, but are concave rather than convex. By comparing to simulations of gas sloshing, we find that the bay in the Perseus cluster bears a striking resemblance in its size, location and thermal structure, to a giant (≈50 kpc) roll resulting from Kelvin-Helmholtz instabilities. If true, the morphology of this structure can be compared to simulations to put constraints on the initial average ratio of the thermal and magnetic pressure, β= pth/ pB, throughout the overall cluster before the sloshing occurs, for which we find β=200 to best match the observations. Simulations with a stronger magnetic field (β=100) are disfavoured, as in these the large Kelvin-Helmholtz rolls do not form, while in simulations with a lower magnetic field (β=500) the level of instabilities is much larger than is observed. We find that the bay structures in Centaurus and Abell 1795 may also be explained by such features of gas sloshing.

  10. Theoretical study of the reactions of 2-chlorophenol over the dehydrated and hydroxylated silica clusters.

    PubMed

    Pan, Wenxiao; Zhong, Wenhui; Zhang, Dongju; Liu, Chengbu

    2012-01-12

    Silica is the main component of combustion-generated fly ash and is expected to have an important impact on the formation of polychlorinated dibenzo-p-dioxins (PCDDs) and polychlorinated dibenzofurans (PCDFs) in municipal waste incinerators. In this work, we theoretically studied the reactions of 2-chlorinated phenol (2-CP) over the clusters (SiO(2))(3) and (SiO(2))(3)O(2)H(4), which mimic the dehydrated and hydroxylated silica structures, respectively. The dehydrated cluster is much more active toward the attack of 2-CP to form highly stable 2-chlorophenolate than the hydroxylated silica cluster. The further dissociation of chlorophenolates to form CP radicals (CPRs) is calculated to be very difficult. The calculated energy barrier of the reaction of 2-CP over the dehydrated (SiO(2))(3) cluster and IR data are in good agreement with early experimental observations. On the basis of the calculated results, we propose that the formation of PCDD/Fs from CPs over silica surfaces may not involve CPRs, but be relevant to the further conversion of chlorophenolates over silica surfaces. This mechanism is very different from the corresponding reactions mediated by transition metal oxides. The results presented here may be helpful to understand the chemisorption mechanism of CPs on silica surfaces in real waste combustion.

  11. Gas-phase reactions of nickel and nickel oxide clusters with nitrogen dioxide. 4: Continued kinetic and mechanistic investigation of nickel cluster reactions with NO{sub 2} gases

    SciTech Connect

    Vann, W.D.; Castleman, A.W. Jr.

    1999-02-18

    Results of investigations of the gas-phase reactions of nickel and nickel oxide ions with NO{sub 2} are reported in this final part of a four-part series. A fast flow reactor-quadrupole mass spectrometer system coupled with a laser vaporization source is used to study reactions of nickel and nickel oxide cluster ions with nitrogen dioxide. Pseudo-first-order biomolecular rate constants for the reactions of NO{sub 2} with nickel and nickel oxide cluster cations and anions are reported. The product distributions indicate that several different reaction mechanisms occur between NO{sub 2} and various sizes of nickel and nickel oxide cluster ions. The reaction processes are mainly oxidation of the nickel clusters and NO{sub 2} addition. Finally, a detailed comparison is made between these reactions and previously reported ones with nitric oxide and oxygen.

  12. KAT-7 science verification: cold gas, star formation, and substructure in the nearby Antlia Cluster

    NASA Astrophysics Data System (ADS)

    Hess, Kelley M.; Jarrett, T. H.; Carignan, Claude; Passmoor, Sean S.; Goedhart, Sharmila

    2015-09-01

    The Antlia Cluster is a nearby, dynamically young structure, and its proximity provides a valuable opportunity for detailed study of galaxy and group accretion on to clusters. We present a deep H I mosaic completed as part of spectral line commissioning of the Karoo Array Telescope (KAT-7), and identify infrared counterparts from the Widefield Infrared Survey Explorer extended source catalogue to study neutral atomic gas content and star formation within the cluster. We detect 37 cluster members out to a radius of ˜0.9 Mpc with M_{H I}>5× 10^7 M⊙. Of these, 35 are new H I detections, 27 do not have previous spectroscopic redshift measurements, and one is the Compton thick Seyfert II, NGC 3281, which we detect in H I absorption. The H I galaxies lie beyond the X-ray-emitting region 200 kpc from the cluster centre and have experienced ram pressure stripping out to at least 600 kpc. At larger radii, they are distributed asymmetrically suggesting accretion from surrounding filaments. Combining H I with optical redshifts, we perform a detailed dynamical analysis of the internal substructure, identify large infalling groups, and present the first compilation of the large-scale distribution of H I and star-forming galaxies within the cluster. We find that elliptical galaxy NGC 3268 is at the centre of the oldest substructure and argue that NGC 3258 and its companion population are more recent arrivals. Through the presence of H I and ongoing star formation, we rank substructures with respect to their relative time since accretion on to Antlia.

  13. Specific and nonspecific reactions of mouse immune system under the effect of short-term exposure in warm and/or cold water.

    PubMed

    Kalenova, L F; Sukhovei, Yu G; Fisher, T A

    2005-12-01

    Transient changes in environmental temperature produce a short-term, but significant effect on the immune system reactions in laboratory mice. Activities of nonspecific resistance factors (peritoneal macrophages) in mice exposed in warm or cold water were characterized by similar reactions, while the reactions of cellular and humoral immunity were opposite. Exposure to cold water activated cellular immunity, while warm water activated humoral immune system. The most significant changes in the immune system reactions were observed during the first 3 days of thermal exposure. Temperature alteration from cold to warm leads to activation of cellular and suppression of humoral components of the immune system. Alteration of water temperature from warm to cold leads to activation of nonspecific resistance factors, cellular and humoral immunity.

  14. Thermochemical Data on Gas-Phase Ion-Molecule Association and Clustering Reactions

    SciTech Connect

    Keesee, R.G.; Castleman, A.W. Jr.

    1986-07-01

    A comprehensive tabulation of the standard enthalpy change, ..delta..H/sup 0/, entropy change, ..delta..S/sup 0/, and free energy change, ..delta..G/sup 0/, for the formation of ion clusters from ion-molecule association reactions is given. The experimental methods which are used to derive the data are briefly discussed. For some experiments, dissociation energies of ion clusters are reported and listed under the category of ..delta..H/sup 0/. The relationship between ..delta..H/sup 0/ and dissociation energy is discussed in the text.

  15. Structural requirements and reaction pathways in dimethyl ether combustion catalyzed by supported Pt clusters.

    PubMed

    Ishikawa, Akio; Neurock, Matthew; Iglesia, Enrique

    2007-10-31

    The identity and reversibility of the elementary steps required for catalytic combustion of dimethyl ether (DME) on Pt clusters were determined by combining isotopic and kinetic analyses with density functional theory estimates of reaction energies and activation barriers to probe the lowest energy paths. Reaction rates are limited by C-H bond activation in DME molecules adsorbed on surfaces of Pt clusters containing chemisorbed oxygen atoms at near-saturation coverages. Reaction energies and activation barriers for C-H bond activation in DME to form methoxymethyl and hydroxyl surface intermediates show that this step is more favorable than the activation of C-O bonds to form two methoxides, consistent with measured rates and kinetic isotope effects. This kinetic preference is driven by the greater stability of the CH3OCH2* and OH* intermediates relative to chemisorbed methoxides. Experimental activation barriers on Pt clusters agree with density functional theory (DFT)-derived barriers on oxygen-covered Pt(111). Measured DME turnover rates increased with increasing DME pressure, but decreased as the O2 pressure increased, because vacancies (*) on Pt surfaces nearly saturated with chemisorbed oxygen are required for DME chemisorption. DFT calculations show that although these surface vacancies are required, higher oxygen coverages lead to lower C-H activation barriers, because the basicity of oxygen adatoms increases with coverage and they become more effective in hydrogen abstraction from DME. Water inhibits reaction rates via quasi-equilibrated adsorption on vacancy sites, consistent with DFT results indicating that water binds more strongly than DME on vacancies. These conclusions are consistent with the measured kinetic response of combustion rates to DME, O2, and H2O, with H/D kinetic isotope effects, and with the absence of isotopic scrambling in reactants containing isotopic mixtures of 18O2-16O2 or 12CH3O12CH3-13CH3O13CH3. Turnover rates increased with Pt

  16. Structural Requirements and Reaction Pathways in Dimethyl Ether Combustion Catalyzed by Supported Pt Clusters

    SciTech Connect

    Ishikawa, Akio; Neurock, Matthew; Iglesia, Enrique

    2007-10-31

    The research described in this product was performed in part in the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory. The identity and reversibility of the elementary steps required for catalytic combustion of dimethyl ether (DME) on Pt clusters were determined by combining isotopic and kinetic analyses with density functional theory estimates of reaction energies and activation barriers to probe the lowest energy paths. Reaction rates are limited by C-H bond activation in DME molecules adsorbed on surfaces of Pt clusters containing chemisorbed oxygen atoms at near-saturation coverages. Reaction energies and activation barriers for C-H bond activation in DME to form methoxymethyl and hydroxyl surface intermediates show that this step is more favorable than the activation of C-O bonds to form two methoxides, consistent with measured rates and kinetic isotope effects. This kinetic preference is driven by the greater stability of the CH3OCH2* and OH* intermediates relative to chemisorbed methoxides. Experimental activation barriers on Pt clusters agree with density functional theory (DFT)-derived barriers on oxygen-covered Pt(111). Measured DME turnover rates increased with increasing DME pressure, but decreased as the O2 pressure increased, because vacancies (*) on Pt surfaces nearly saturated with chemisorbed oxygen are required for DME chemisorption. DFT calculations show that although these surface vacancies are required, higher oxygen coverages lead to lower C-H activation barriers, because the basicity of oxygen adatoms increases with coverage and they become more effective in hydrogen abstraction from DME. Water inhibits reaction rates via quasi-equilibrated adsorption on vacancy sites, consistent with DFT results indicating that water binds more strongly than DME on vacancies. These

  17. Cluster chemical reactions at mineral–liquid interface in metal leaching by photo-electroactive water-and-gas emulsions

    NASA Astrophysics Data System (ADS)

    Sekisov, AG

    2017-02-01

    Possibility of cluster (inter-cluster) reactions at the interface of mineral and liquid phases in leaching of metals mainly in dispersed cluster form by photo-electrically activated water-and-gas emulsions is theoretically evaluated. The governing role of active clusters of water and clustered hydrate envelopes generated under dissolution of active oxygen forms is determined. The scope of the study covers possible processes of transformation of clustered gold in mineral substance under direct interaction with the components of the active water-and-gas emulsions.

  18. Understanding and Practical Use of Ligand and Metal Exchange Reactions in Thiolate-Protected Metal Clusters to Synthesize Controlled Metal Clusters.

    PubMed

    Niihori, Yoshiki; Hossain, Sakiat; Sharma, Sachil; Kumar, Bharat; Kurashige, Wataru; Negishi, Yuichi

    2017-05-01

    It is now possible to accurately synthesize thiolate (SR)-protected gold clusters (Aun (SR)m ) with various chemical compositions with atomic precision. The geometric structure, electronic structure, physical properties, and functions of these clusters are well known. In contrast, the ligand or metal atom exchange reactions between these clusters and other substances have not been studied extensively until recently, even though these phenomena were observed during early studies. Understanding the mechanisms of these reactions could allow desired functional metal clusters to be produced via exchange reactions. Therefore, we have studied the exchange reactions between Aun (SR)m and analogous clusters and other substances for the past four years. The results have enabled us to gain deep understanding of ligand exchange with respect to preferential exchange sites, acceleration means, effect on electronic structure, and intercluster exchange. We have also synthesized several new metal clusters using ligand and metal exchange reactions. In this account, we summarize our research on ligand and metal exchange reactions. © 2017 The Chemical Society of Japan & Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. The environmental history of group and cluster galaxies in a Λ cold dark matter universe

    NASA Astrophysics Data System (ADS)

    De Lucia, Gabriella; Weinmann, Simone; Poggianti, Bianca M.; Aragón-Salamanca, Alfonso; Zaritsky, Dennis

    2012-06-01

    We use publicly available galaxy merger trees, obtained applying semi-analytic techniques to a large high-resolution cosmological simulation, to study the environmental history of group and cluster galaxies. Our results highlight the existence of an intrinsic history bias which makes the nature versus nurture (as well as the mass versus environment) debate inherently ill posed. In particular, we show that (i) surviving massive satellites were accreted later than their less massive counterparts, from more massive haloes and (ii) the mixing of galaxy populations is incomplete during halo assembly, which creates a correlation between the time a galaxy becomes satellite and its present distance from the parent halo centre. The weakest trends are found for the most massive satellites, as a result of efficient dynamical friction and late formation times of massive haloes. A large fraction of the most massive group/cluster members are accreted on to the main progenitor of the final halo as central galaxies, while about half of the galaxies with low and intermediate stellar masses are accreted as satellites. Large fractions of group and cluster galaxies (in particular those of low stellar mass) have therefore been ‘pre-processed’ as satellites of groups with mass ˜1013 M⊙. To quantify the relevance of hierarchical structure growth on the observed environmental trends, we have considered observational estimates of the passive galaxy fractions and their variation as a function of halo mass and clustercentric distance. Comparisons with our theoretical predictions require relatively long times (˜5-7 Gyr) for the suppression of star formation in group and cluster satellites. It is unclear how such a gentle mode of strangulation can be achieved by simply relaxing the assumption of instantaneous stripping of the hot gas reservoir associated with accreting galaxies, or if the difficulties encountered by recent galaxy formation models in reproducing the observed trends

  20. Kinetics of Cold-Cap Reactions for Vitrification of Nuclear Waste Glass Based on Simultaneous Differential Scanning Calorimetry - Thermogravimetry (DSC-TGA) and Evolved Gas Analysis (EGA)

    SciTech Connect

    Rodriguez, Carmen P.; Pierce, David A.; Schweiger, Michael J.; Kruger, Albert A.; Chun, Jaehun; Hrma, Pavel R.

    2013-12-03

    For vitrifying nuclear waste glass, the feed, a mixture of waste with glass-forming and modifying additives, is charged onto the cold cap that covers 90-100% of the melt surface. The cold cap consists of a layer of reacting molten glass floating on the surface of the melt in an all-electric, continuous glass melter. As the feed moves through the cold cap, it undergoes chemical reactions and phase transitions through which it is converted to molten glass that moves from the cold cap into the melt pool. The process involves a series of reactions that generate multiple gases and subsequent mass loss and foaming significantly influence the mass and heat transfers. The rate of glass melting, which is greatly influenced by mass and heat transfers, affects the vitrification process and the efficiency of the immobilization of nuclear waste. We studied the cold-cap reactions of a representative waste glass feed using both the simultaneous differential scanning calorimetry thermogravimetry (DSC-TGA) and the thermogravimetry coupled with gas chromatography-mass spectrometer (TGA-GC-MS) as complementary tools to perform evolved gas analysis (EGA). Analyses from DSC-TGA and EGA on the cold-cap reactions provide a key element for the development of an advanced cold-cap model. It also helps to formulate melter feeds for higher production rate.

  1. Muscle Reaction Time During a Simulated Lateral Ankle Sprain After Wet-Ice Application or Cold-Water Immersion

    PubMed Central

    Thain, Peter K.; Bleakley, Christopher M.; Mitchell, Andrew C. S.

    2015-01-01

    Context Cryotherapy is used widely in sport and exercise medicine to manage acute injuries and facilitate rehabilitation. The analgesic effects of cryotherapy are well established; however, a potential caveat is that cooling tissue negatively affects neuromuscular control through delayed muscle reaction time. This topic is important to investigate because athletes often return to exercise, rehabilitation, or competitive activity immediately or shortly after cryotherapy. Objective To compare the effects of wet-ice application, cold-water immersion, and an untreated control condition on peroneus longus and tibialis anterior muscle reaction time during a simulated lateral ankle sprain. Design Randomized controlled clinical trial. Setting University of Hertfordshire human performance laboratory. Patients or Other Participants A total of 54 physically active individuals (age = 20.1 ± 1.5 years, height = 1.7 ± 0.07 m, mass = 66.7 ± 5.4 kg) who had no injury or history of ankle sprain. Intervention(s) Wet-ice application, cold-water immersion, or an untreated control condition applied to the ankle for 10 minutes. Main Outcome Measure(s) Muscle reaction time and muscle amplitude of the peroneus longus and tibialis anterior in response to a simulated lateral ankle sprain were calculated. The ankle-sprain simulation incorporated a combined inversion and plantar-flexion movement. Results We observed no change in muscle reaction time or muscle amplitude after cryotherapy for either the peroneus longus or tibialis anterior (P > .05). Conclusions Ten minutes of joint cooling did not adversely affect muscle reaction time or muscle amplitude in response to a simulated lateral ankle sprain. These findings suggested that athletes can safely return to sporting activity immediately after icing. Further evidence showed that ice can be applied before ankle rehabilitation without adversely affecting dynamic neuromuscular control. Investigation in patients with acute ankle sprains is

  2. Muscle Reaction Time During a Simulated Lateral Ankle Sprain After Wet-Ice Application or Cold-Water Immersion.

    PubMed

    Thain, Peter K; Bleakley, Christopher M; Mitchell, Andrew C S

    2015-07-01

    Cryotherapy is used widely in sport and exercise medicine to manage acute injuries and facilitate rehabilitation. The analgesic effects of cryotherapy are well established; however, a potential caveat is that cooling tissue negatively affects neuromuscular control through delayed muscle reaction time. This topic is important to investigate because athletes often return to exercise, rehabilitation, or competitive activity immediately or shortly after cryotherapy. To compare the effects of wet-ice application, cold-water immersion, and an untreated control condition on peroneus longus and tibialis anterior muscle reaction time during a simulated lateral ankle sprain. Randomized controlled clinical trial. University of Hertfordshire human performance laboratory. A total of 54 physically active individuals (age = 20.1 ± 1.5 years, height = 1.7 ± 0.07 m, mass = 66.7 ± 5.4 kg) who had no injury or history of ankle sprain. Wet-ice application, cold-water immersion, or an untreated control condition applied to the ankle for 10 minutes. Muscle reaction time and muscle amplitude of the peroneus longus and tibialis anterior in response to a simulated lateral ankle sprain were calculated. The ankle-sprain simulation incorporated a combined inversion and plantar-flexion movement. We observed no change in muscle reaction time or muscle amplitude after cryotherapy for either the peroneus longus or tibialis anterior (P > .05). Ten minutes of joint cooling did not adversely affect muscle reaction time or muscle amplitude in response to a simulated lateral ankle sprain. These findings suggested that athletes can safely return to sporting activity immediately after icing. Further evidence showed that ice can be applied before ankle rehabilitation without adversely affecting dynamic neuromuscular control. Investigation in patients with acute ankle sprains is warranted to assess the clinical applicability of these interventions.

  3. Nuclear reaction rate uncertainties and the 22Ne( p,gamma)23Na reaction: Classical novae and globular clusters

    NASA Astrophysics Data System (ADS)

    Kelly, Keegan John

    The overall theme of this thesis is the advancement of nuclear astrophysics via the analysis of stellar processes in the presence of varying levels of precision in the available nuclear data. With regard to classical novae, the level of mixing that occurs between the outer layers of the white dwarf core and the solar accreted material in oxygen-neon novae is presently undetermined by stellar models, but the nuclear data relevant to these explosive phenomena are fairly precise. This precision allowed for the identification of a series of elemental ratios indicative of the level of mixing occurring in novae. Direct comparisons of the modelled elemental ratios to observations showed that there is likely to be much less of this mixing than was previously assumed. Thus, our understanding of classical novae was altered via the investigation of the nuclear reactions relevant to this phenomenon. However, this level of experimental precision is rare and large nuclear reaction uncertainties can hinder our understanding of certain astrophysical phenomena. For example, it is commonly believed that uncertainties in the 22Ne(p,g)23Na reaction rate at temperatures relevant to thermally-pulsing asymptotic giant branch stars are largely responsible for our inability to explain the observed sodium-oxygen anti-correlation in globular clusters. With this motivation, resonances in the 22Ne(p,g) 23Na reaction at E_{c.m.} = 458, 417, 178, and 151 keV were measured. The direct-capture contribution was also measured at E_{lab} = 425 keV. It was determined that the 22Ne(p,g)23Na reaction rate in the astrophysically relevant temperature range is dominated by the resonances at 178 and 151 keV and that the total reaction rate is greater than the previously assumed rate by a factor of approximately ˜40 at 0.15 GK. This increased reaction rate impacts the expected nucleosynthesis that occurs in these stars and will shed light onto the origin of this anti-correlation as it is incorporated into

  4. Zrb2 nanoparticle cluster reinforced Al matrix composites fabricated by direct melt reaction

    NASA Astrophysics Data System (ADS)

    Zhang, Zhenya; Yang, Rui; Liu, Menglu; Yue, Yamei; Tang, Zhenming; Meng, Mingai; Jiao, Lei

    2017-01-01

    In this work, ZrB2 nanoparticle cluster reinforced 6061Al composites were synthesized by direct melt reaction between halide salts (KBF4 and K2ZrF6) and Al. The experimental results revealed that the formation of Type III cluster (>60 µm, grain interior) depended on ZrB2 addition levels (>2 vol. %), whilst Type I (˜5 µm, grain interior) and II (5˜60 µm, grain/ interdendritic boundaries) were always present. The optimum tensile strength and elongation obtained in 2vol. % ZrB2/6061Al composite were substantially improved to approximately 1.52 and 2.75 times those of the 6061Al alloy. The enhanced strength was attributed to a combination effect of grain refinement (Type II cluster) and Orowan/CTE strengthening (Type I cluster). On the other hand, the impressive ductility increase was also ascribed to the presence of toughened clusters (Type I and II) that introduced the plastic slip bands and equiaxed dimples.

  5. Diffusion and Interface Reaction of Cu/Si (100) Films Prepared by Cluster Beam Deposition

    NASA Astrophysics Data System (ADS)

    Gao, Xing-Xin; Jia, Yan-Hui; Li, Gong-Ping; Cho, Seong-Jin; Kim, Hee

    2011-03-01

    Cu thin films are deposited on Si (100) substrates by neutral cluster beams and ionized cluster beams. The atomic diffusion and interface reaction between the Cu films and the Si substrates of as-deposited and annealed at different temperatures (230°C, 450°C, 500°C and 600°C) are investigated by Rutherford backscattering spectrometry (RBS) and x-ray diffraction (XRD). Some significant results are obtained on the following aspects: (1) For the Cu/Si(100) samples prepared by neutral cluster beams and ionized cluster beams at Va = 0kV, atomic diffusion phenomena are observed clearly in the as-deposited samples. With the increase of annealing temperature, the interdiffusion becomes more apparent. However, the diffusion intensities of the RBS spectra of the Cu/Si(100) films using neutral cluster beams are always higher than that of the Cu/Si(100) films using ionized cluster beams at Va=0kV in the as-deposited and samples annealed at the same temperature. The compound of Cu3Si is observed in the as-deposited samples. (2) For the Cu/Si(100) samples prepared by ionized cluster beams at Va=1, 3, 5kV, atomic diffusion phenomena are observed in the as-deposited samples at Va=1, 5kV. For the samples prepared at Va = 3kV, the interdiffusion phenomenon is observed until 500°C annealing temperature. The reason for the difference is discussed.

  6. Tombaugh 2: the first open cluster with a significant abundance spread or embedded in a cold stellar stream?

    NASA Astrophysics Data System (ADS)

    Frinchaboy, P. M.; Marino, A. F.; Villanova, S.; Carraro, G.; Majewski, S. R.; Geisler, D.

    2008-11-01

    dispersions. However, we explore other possible explanations for the observed spread in abundances and two possible subpopulations, with the most likely explanation being that the metal poor ([Fe/H] = -0.28), more centrally concentrated population being the true To2 clusters stars and the metal-rich ([Fe/H] = -0.06) population being an overlapping, and kinematically associated, but `cold' (σV < 2kms-1) stellar stream at Rgc >= 15kpc. Based on observations collected at the European Southern Observatory (ESO), Chile; Proposal 076.B-0263. E-mail: pmf@astro.wisc.edu (PMF); anna.marino@unipd.it (AFM); sandro.villanova@unipd.it (SV); gcarraro@eso.org (GC); srm4n@virginia.edu (SRM); dgeisler@astro-udec.cl (DG) ‡ National Science Foundation Astronomy & Astrophysics Postdoctoral Fellow. § Any opinions, findings and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the National Science Foundation.

  7. In situ evolution of highly dispersed amorphous CoOx clusters for oxygen evolution reaction.

    PubMed

    Chen, Dawei; Dong, Chung-Li; Zou, Yuqin; Su, Dong; Huang, Yu-Cheng; Tao, Li; Dou, Shuo; Shen, Shaohua; Wang, Shuangyin

    2017-08-24

    Electrocatalytic water splitting is a key technique to produce hydrogen fuels, which can be considered as an efficient strategy to store renewable energy. Oxygen evolution reaction (OER) that occurs at the anode side requires a four-electron transfer under highly oxidizing conditions. OER has a large overpotential and therefore determines the overall efficiency. Certain electrocatalysts can efficiently help to improve the reaction kinetics. Owing to the high cost of precious metals such as Pt, Ru, and Ir, non-precious metal oxide catalysts have been vigorously investigated under alkaline conditions. Herein, we synthesized novel highly dispersed amorphous CoOxfor the first time in the form of a cluster favorable to enhance the OER activity using a facile method via the air dielectric barrier discharge (DBD) plasma. Compared with the pristine biopolymer-cobalt complex, the amorphous CoOx cluster exhibits a much higher current density and a lower overpotential for OER, e.g., the overpotential of 290 mV at 10 mA cm(-2) and the overpotential of only 350 mV at 300 mA cm(-1). The excellent electrocatalytic OER activity was attributed to the unsaturated catalytic sites on the amorphous CoOx cluster. In addition, we studied the reaction mechanism, and it was observed that pure O2 DBD plasma could lead to the evolution of crystalline CoOx; however, the presence of N2 and O2 in DBD plasma could ensure the facile evolution of amorphous CoOx clusters. This study provides a new strategy to design amorphous materials for electrocatalysis and beyond.

  8. Fluorescent probes for tracking the transfer of iron–sulfur cluster and other metal cofactors in biosynthetic reaction pathways

    DOE PAGES

    Vranish, James N.; Russell, William K.; Yu, Lusa E.; ...

    2014-12-05

    Iron–sulfur (Fe–S) clusters are protein cofactors that are constructed and delivered to target proteins by elaborate biosynthetic machinery. Mechanistic insights into these processes have been limited by the lack of sensitive probes for tracking Fe–S cluster synthesis and transfer reactions. Here we present fusion protein- and intein-based fluorescent labeling strategies that can probe Fe–S cluster binding. The fluorescence is sensitive to different cluster types ([2Fe–2S] and [4Fe–4S] clusters), ligand environments ([2Fe–2S] clusters on Rieske, ferredoxin (Fdx), and glutaredoxin), and cluster oxidation states. The power of this approach is highlighted with an extreme example in which the kinetics of Fe–S clustermore » transfer reactions are monitored between two Fdx molecules that have identical Fe–S spectroscopic properties. This exchange reaction between labeled and unlabeled Fdx is catalyzed by dithiothreitol (DTT), a result that was confirmed by mass spectrometry. DTT likely functions in a ligand substitution reaction that generates a [2Fe–2S]–DTT species, which can transfer the cluster to either labeled or unlabeled Fdx. The ability to monitor this challenging cluster exchange reaction indicates that real-time Fe–S cluster incorporation can be tracked for a specific labeled protein in multicomponent assays that include several unlabeled Fe–S binding proteins or other chromophores. Such advanced kinetic experiments are required to untangle the intricate networks of transfer pathways and the factors affecting flux through branch points. High sensitivity and suitability with high-throughput methodology are additional benefits of this approach. Lastly, we anticipate that this cluster detection methodology will transform the study of Fe–S cluster pathways and potentially other metal cofactor biosynthetic pathways.« less

  9. Monitoring the dissolution process of metals in the gas phase: reactions of nanoscale Al and Ga metal atom clusters and their relationship to similar metalloid clusters.

    PubMed

    Burgert, Ralf; Schnöckel, Hansgeorg

    2008-05-14

    Formation and dissolution of metals are two of the oldest technical chemical processes. On the atomic scale, these processes are based on the formation and cleavage of metal-metal bonds. During the past 15 years we have studied intensively the intermediates during the formation process of metals, i.e. the formation of compounds containing many metal-metal bonds between naked metal atoms in the center and ligand-bearing metal atoms at the surface. We have called the clusters metalloid or, more generally, elementoid clusters. Via a retrosynthetic route, the many different Al and Ga metalloid clusters which have been structurally characterized allow us to understand also the dissolution process; i.e. the cleavage of metal-metal (M-M) bonds. However, this process can be detected much more directly by the reaction of single metal atom clusters in the gas phase under high vacuum conditions. A suitable tool to monitor the dissolution process of a metal cluster in the gas phase is FT-ICR (Fourier transform ion cyclotron resonance) mass spectrometry. Snapshots during these cleavage processes are possible because only every 1-10 s is there a contact between a cluster molecule and an oxidizing molecule (e.g. Cl2). This period is long, i.e. the formation of the primary product (a smaller metal atom cluster) is finished before the next collision happens. We have studied three different types of reaction:(1) Step-by-step fragmentation of a structurally known metalloid cluster allows us to understand the bonding principle of these clusters because in every step only the weakest bond is broken.(2) There are three oxidation reactions of an Al13(-) cluster molecule with Cl2, HCl and O2 central to this review. These three reactions represent three different reaction types, (a) an exothermic reaction (Cl2), (b) an endothermic reaction (HCl), and (c) a kinetically limited reaction based on spin conservation rules (O2).(3) Finally, we present the reaction of a metalloid cluster with Cl2

  10. Studies of Neutron-Deficient Nuclei Near the Z = 82 Shell Closure via Cold Fusion Reactions

    NASA Astrophysics Data System (ADS)

    Carpenter, M. P.; Kondev, F. G.; Janssens, R. V. F.; Seweryniak, D.; Khoo, T. L.; Lauritsen, T.; Lister, C. J.; Zhu, S.; Camera, F.; Bracco, A.; Million, B.; Leoni, S.; Jenkins, D. G.; Wadsworth, R.

    2009-03-01

    Over the last decade, we have performed in-beam experiments using Gammasphere+FMA to measure excited states in proton-rich Au, Hg, Tl and Pb isotopes. In these studies, the use of the FMA is essential in order to differentiate evaporation residues from the large fission background which dominates the reaction cross-section. In addition, we have found that using near-symmetric reactions at bombarding energies near the Coloumb barrier is beneficial in performing these studies. By keeping the bombarding energy low, fission is minimized and the reaction products are concentrated in only a few channels. New results have recently been obtained using the 90Zr+92Mo reaction to study shape co-existence in 181Tl via the lp evaporation channel. In addition, we have measured the total γ-ray energy and multiplicity associated with the surviving compund system, 179Au, following the fusion reaction, 90Zr+89Y.

  11. The Herschel Virgo Cluster Survey. X. The relationship between cold dust and molecular gas content in Virgo spirals

    NASA Astrophysics Data System (ADS)

    Corbelli, E.; Bianchi, S.; Cortese, L.; Giovanardi, C.; Magrini, L.; Pappalardo, C.; Boselli, A.; Bendo, G. J.; Davies, J.; Grossi, M.; Madden, S. C.; Smith, M. W. L.; Vlahakis, C.; Auld, R.; Baes, M.; De Looze, I.; Fritz, J.; Pohlen, M.; Verstappen, J.

    2012-06-01

    Aims: We examine whether dust mass can trace the total or molecular gas mass in late-type Virgo cluster galaxies, and how the environment affects the dust-to-gas ratio and the molecular fraction. Methods: Using the far-infrared emission, as observed by the Herschel Virgo Cluster Survey (HeViCS), and the integrated HI 21-cm and CO J = 1-0 line brightness, we infer the dust and total gas mass for a magnitude limited sample of 35 metal rich spiral galaxies. Environmental disturbances on each galaxy are considered by means of the HI deficiency parameter. Results: The CO flux correlates tightly and linearly with far-infrared fluxes observed by Herschel, especially with the emission at 160, 250 and 350 μm. Molecules in these galaxies are more closely related to cold dust rather than to dust heated by star formation or to optical/NIR brightness. We show that dust mass establishes a stronger correlation with the total gas mass than with the atomic or molecular component alone. The correlation is non-linear since lower mass galaxies have a lower dust-to-gas ratio. The dust-to-gas ratio increases as the HI deficiency increases, but in highly HI deficient galaxies it stays constant. Dust is in fact less affected than atomic gas by weak cluster interactions, which remove most of the HI gas from outer and high latitudes regions. Highly disturbed galaxies, in a dense cluster environment, can instead loose a considerable fraction of gas and dust from the inner regions of the disk keeping constant the dust-to-gas ratio. There is evidence that the molecular phase is also quenched. This quencing becomes evident by considering the molecular gas mass per unit stellar mass. Its amplitude, if confirmed by future studies, highlights that molecules are missing in Virgo HI deficient spirals, but to a somewhat lesser extent than dust. Herschel is an ESA space observatory with science instruments provided by European-led Principal Investigator consortia and with important participation from

  12. Heterogeneous reaction probabilities, solubilities, and the physical state of cold volcanic aerosols

    SciTech Connect

    Toon, O.; Pueschel, R.; Russell, P.; Valero, F.P.J.; Selkirk, H. ); Browell, E. ); Gary, B.; Toon, G. ); Lait, L.; Newman, P.; Schoeberl, M. ); Livingston, J. ); Traub, W. ); Jordan, J. )

    1993-08-27

    On 19 January 1992, heterogeneous loss of HNO[sub 3], ClNO[sub 3], and HCl was observed in part of the Mount Pinatubo volcanic cloud that had cooled as a result of forced ascent. Portions of the volcanic cloud froze near 191 kelvin. The reaction probability of ClNO[sub 3] and the solubility of HNO[sub 3] were close to laboratory measurements on liquid sulfuric acid. The magnitude of the observed loss of HCl suggests that it underwent a heterogeneous reaction. Such reactions could lead to substantial loss of HCl on background sulfuric acid particles and so be important for polar ozone loss.

  13. Production of cold formaldehyde molecules for study and control of chemical reaction.

    SciTech Connect

    Taatjes, Craig A.; Bochinski, J. R.; Bohn, John L.; Ye, Jun; Lewandowski, H. J.; Sawyer, Brian C.; Ticknor, Christopher; Hudson, Eric R.

    2005-08-01

    We propose a method for controlling a class of low temperature chemical reactions. Specifically, we show the hydrogen abstraction channel in the reaction of formaldehyde (H{sub 2}CO) and the hydroxyl radical (OH) can be controlled through either the molecular state or an external electric field. We also outline experiments for investigating and demonstrating control over this important reaction. To this end, we report the first Stark deceleration of H{sub 2}CO. We have decelerated a molecular beam of H{sub 2}CO essentially to rest, producing molecules at 100 mK with a density of {approx} 10{sup 6} cm{sup -3}.

  14. Production of cold formaldehyde molecules for study and control of chemical reaction dynamics with hydroxyl radicals

    SciTech Connect

    Hudson, Eric R.; Ticknor, Christopher; Sawyer, Brian C.; Taatjes, Craig A.; Lewandowski, H. J.; Bochinski, J. R.; Bohn, J. L.; Ye Jun

    2006-06-15

    We propose a method for controlling a class of low temperature chemical reactions. Specifically, we show the hydrogen abstraction channel in the reaction of formaldehyde (H{sub 2}CO) and the hydroxyl radical (OH) can be controlled through either the molecular state or an external electric field. We also outline experiments for investigating and demonstrating control over this important reaction. To this end, we report the first Stark deceleration of H{sub 2}CO. We have decelerated a molecular beam of H{sub 2}CO essentially to rest, producing molecules at 100 mK with a density of {approx}10{sup 6} cm{sup -3}.

  15. Heterogeneous reaction probabilities, solubilities, and the physical state of cold volcanic aerosols

    NASA Technical Reports Server (NTRS)

    Toon, O.; Browell, E.; Gary, B.; Lait, L.; Livingston, J.; Newman, P.; Pueschel, R.; Russell, P.; Schoeberl, M.; Toon, G.

    1993-01-01

    On 19 January 1992, heterogeneous loss of HNO3, ClNO3, and HCl was observed in part of the Mount Pinatubo volcanic cloud that had cooled as a result of forced ascent. Portions of the volcanic cloud froze near 191 kelvin. The reaction probability of ClNO3 and the solubility of HNO3 were close to laboratory measurements on liquid sulfuric acid. The magnitude of the observed loss of HCl suggests that it underwent a heterogeneous reaction. Such reactions could lead to substantial loss of HCl on background sulfuric acid particles and so be important for polar ozone loss.

  16. Magnetophoretic potential at the movement of cluster products of electrochemical reactions in an inhomogeneous magnetic field

    SciTech Connect

    Gorobets, O. Yu. Gorobets, Yu. I.; Rospotniuk, V. P.

    2015-08-21

    An electric field arises from the influence of a nonuniform static magnetic field on charged colloid particles with magnetic susceptibility different from that of the surrounding liquid. It arises, for example, under the influence of a nonuniform static magnetic field in clusters of electrochemical reaction products created during metal etching, deposition, and corrosion processes without an external electric current passing through an electrolyte near a magnetized electrode surface. The corresponding potential consists of a Nernst potential of inhomogeneous distribution of concentration of colloid particles and a magnetophoretic potential (MPP). This potential has been calculated using a thermodynamic approach based on the equations of thermodynamics of nonequilibrium systems and the Onsager relations for a mass flow of correlated magnetic clusters under a gradient magnetic force in the electrolyte. The conditions under which the MPP contribution to the total electric potential may be significant are discussed with a reference to the example of a corroding spherical ferromagnetic steel electrode.

  17. Natural and Artificial Mn4Ca-cluster for Water-Splitting Reaction.

    PubMed

    Zhang, Chunxi; Chen, Changhui; Li, Yanxi; Zhao, Guoqing; Yao, Ruoqing

    2017-09-17

    The oxygen-evolving center (OEC) in photosystem II (PSII) is a unique biological catalyst that splits water into electrons, protons and O2 by using solar energy. Recent crystallographic studies have revealed that the structure of the OEC is an asymmetric Mn4Ca-cluster, which provides a blueprint to develop man-made water-splitting catalysts in artificial photosynthesis. Although it is a great challenge to mimic the whole structure and function of the OEC in the laboratory, significant advances have recently been achieved. Recent progress on mimicking of the natural OEC is now reviewed and discussed. New strategies are suggested to construct more stable and efficient new generation of catalytic materials for the water-splitting reaction based on the artificial Mn4Ca-cluster in the future. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Intracluster reactions in phenylacetylene ammonia clusters initiated through resonant enhanced ionization

    SciTech Connect

    Breen, J.J.; Tzeng, W.; Kilgore, K.; Keesee, R.G.; Castleman A.W. Jr.

    1989-01-01

    Protonated ammonia clusters of specific size are observed to form following the resonant enhanced ionization of phenylacetylene--ammonia clusters PAx(NH/sub 3/)/sub n/ in the 0/sup 0//sub 0/ region of the S/sub 1/--S/sub 0/ transition of the (unclustered) PA. The resonance enhanced absorption of two photons, approx. =8.8 eV total energy, are found to cause intracluster reactions for ngreater than or equal to5. The findings imply that the adiabatic ionization potential of (NH/sub 3/)/sub 4/ is greater than 8.8 eV, while that of (NH/sub 3/)/sub 5/ is (slightly) less.

  19. Investigation of cold fusion phenomena in deuterated metals. Final report, Volume 1. Overview, executive summary, chemistry, physics, gas reactions, metallurgy. Technical information series

    SciTech Connect

    Anderson, L.; Barrowes, S.C.; Bergeson, H.E.; Bourgeois, F.; Cedzynska, K.

    1991-06-01

    The March 1989 announcement by Pons and Fleischmann stimulated worldwide interest in the cold fusion phenomenon. In Utah the legislature appropriated $5 million to support cold fusion research and development. As cold fusion inquiries continue worldwide, this interim report has been written to document the scientific and legal work that has been funded by the Utah legislature. Partial contents include these titles of papers: Cold Fusion Studies in a High-Pressure Sealed Cell; Tritium and Neutron Generation in Palladium Cathodes with High Deuterium Loading; Deuterium-Gas Phase Reactions on Palladium; Excess Heat Estimation with the Kalman Filter; Ultrasonic Energy Effects on Palladium Electrodes in Cold Fusion Cells; Nuclear Measurements on Deuterium-Loaded Palladium and Titanium.

  20. How much can we learn from a merging cold front cluster? Insights from X-ray temperature and radio maps of A3667

    SciTech Connect

    Datta, Abhirup; Schenck, David E.; Burns, Jack O.; Skillman, Samuel W.; Hallman, Eric J.

    2014-10-01

    The galaxy cluster A3667 is an ideal laboratory to study the plasma processes in the intracluster medium. High-resolution Chandra X-ray observations show a cold front in A3667. At radio wavelengths, A3667 reveals a double radio-relic feature in the outskirts of the cluster. These suggest multiple merger events in this cluster. In this paper, we analyze the substantial archival X-ray observations of A3667 from the Chandra X-ray Observatory and compare these with existing radio observations as well as state-of-the-art adaptive mesh refinement MHD cosmological simulations using Enzo. We have used two temperature map making techniques, weighted Voronoi tessellation and adaptive circular binning, to produce the high-resolution and largest field-of-view temperature maps of A3667. These high-fidelity temperature maps allow us to study the X-ray shocks in the cluster using a new two-dimensional shock-finding algorithm. We have also estimated the Mach numbers from the shocks inferred from previous ATCA radio observations. The combined shock statistics from the X-ray and radio data are in agreement with the shock statistics in a simulated MHD cluster. We have also studied the profiles of the thermodynamic properties across the cold front using ∼447 ks from the combined Chandra observations on A3667. Our results show that the stability of the cold front in A3667 can be attributed to the suppression of the thermal conduction across the cold front by a factor of ∼100-700 compared to the classical Spitzer value.

  1. Energy landscapes of nucleophilic substitution reactions: a comparison of density functional theory and coupled cluster methods.

    PubMed

    Swart, Marcel; Solà, Miquel; Bickelhaupt, F Matthias

    2007-07-15

    We have carried out a detailed evaluation of the performance of all classes of density functional theory (DFT) for describing the potential energy surface (PES) of a wide range of nucleophilic substitution (SN2) reactions involving, amongst others, nucleophilic attack at carbon, nitrogen, silicon, and sulfur. In particular, we investigate the ability of the local density approximation (LDA), generalized gradient approximation (GGA), meta-GGA as well as hybrid DFT to reproduce high-level coupled cluster (CCSD(T)) benchmarks that are close to the basis set limit. The most accurate GGA, meta-GGA, and hybrid functionals yield mean absolute deviations of about 2 kcal/mol relative to the coupled cluster data, for reactant complexation, central barriers, overall barriers as well as reaction energies. For the three nonlocal DFT classes, the best functionals are found to be OPBE (GGA), OLAP3 (meta-GGA), and mPBE0KCIS (hybrid DFT). The popular B3LYP functional is not bad but performs significantly worse than the best GGA functionals. Furthermore, we have compared the geometries from several density functionals with the reference CCSD(T) data. The same GGA functionals that perform best for the energies (OPBE, OLYP), also perform best for the geometries with average absolute deviations in bond lengths of 0.06 A and 0.6 degrees, even better than the best meta-GGA and hybrid functionals. In view of the reduced computational effort of GGAs with respect to meta-GGAs and hybrid functionals, let alone coupled cluster, we recommend the use of accurate GGAs such as OPBE or OLYP for the study of SN2 reactions. Copyright (c) 2007 Wiley Periodicals, Inc.

  2. Reactions of silver atoms and clusters in Ag-NaA zeolites

    NASA Astrophysics Data System (ADS)

    Waşowicz, Tomasz; Michalik, Jacek

    The agglomeration of silver in hydrated and dehydrated Ag-NaA zeolites gamma irradiated at 77 K has been studied by ESR. The agglomeration process is radiation-induced in hydrated samples whereas in dehydrated ones is initiated by thermal autoreduction. In the result different silver clusters are stabilized at room temperature, Ag 2+3…Ag + becomes stabilized in hydrated zeolites and Ag n+ 6 in dehydrated ones. Silver hexamers have been reacted with various molecular adsorbates. The reaction rate depends on molecular size and nucleophilic character of adsorbate. In the presence of water and small alcohols silver hexamers are transformed to the elongated tetramers.

  3. Is gold actor or spectator in the reaction of small AunPd{m/+} clusters with O2?

    NASA Astrophysics Data System (ADS)

    Lang, Sandra M.; Frank, Anja; Fleischer, Irene; Bernhardt, Thorsten M.

    2013-01-01

    The reactivity of free binary gold-palladium clusters (AuPd2+, Au2Pd+, Au2Pd2+, and Au2Pd3+) toward molecular oxygen was investigated in an ion trap experiment under multi-collision conditions and compared to the reactivities of bare Aun+ and Pdm+ (n, m = 2 - 5) clusters. Reaction kinetics measurements revealed that the reaction rate is mainly determined by the number of palladium atoms in the clusters and only weakly influenced by additional gold atoms. The same holds true for the observed reaction product distributions. Most interestingly, the most reactive cluster ions Pd3+, Au2Pd3+, and Pd5+ exhibit a strong preference to form tetroxide products, AunPdmO4+. In addition, employing temperature dependent mass spectrometry, a second adsorption species consisting of several weakly bound oxygen molecules was identified for all investigated palladium containing clusters which is, however, only formed at cryogenic temperatures. All these observations suggest that the gold atoms largely act upon a spectator role in the reaction of the binary clusters. Nevertheless, a rough estimation of the relative O2 binding energies via statistical rate theory indicates that the addition of gold to the Pdn+ clusters decreases the O2-cluster interaction strength, although the reaction rate stays constant. This effect in the binary clusters may be of importance to a potential activation and dissociation of the adsorbed O2 molecules. ISSPIC 16 - 16th International Symposium on Small Particles and Inorganic Clusters, edited by Kristiaan Temst, Margriet J. Van Bael, Ewald Janssens, H.-G. Boyen and Françoise Remacle.

  4. Studies of Neutron-Deficient Nuclei Near the Z = 82 Shell Closure via Cold Fusion Reactions

    SciTech Connect

    Carpenter, M. P.; Kondev, F. G.; Janssens, R. V. F.; Seweryniak, D.; Khoo, T. L.; Lauritsen, T.; Lister, C. J.; Zhu, S.; Camera, F.; Bracco, A.; Million, B.; Leoni, S.; Jenkins, D. G.; Wadsworth, R.

    2009-03-04

    Over the last decade, we have performed in-beam experiments using Gammasphere+FMA to measure excited states in proton-rich Au, Hg, Tl and Pb isotopes. In these studies, the use of the FMA is essential in order to differentiate evaporation residues from the large fission background which dominates the reaction cross-section. In addition, we have found that using near-symmetric reactions at bombarding energies near the Coloumb barrier is beneficial in performing these studies. By keeping the bombarding energy low, fission is minimized and the reaction products are concentrated in only a few channels. New results have recently been obtained using the {sup 90}Zr+{sup 92}Mo reaction to study shape co-existence in {sup 181}Tl via the lp evaporation channel. In addition, we have measured the total {gamma}-ray energy and multiplicity associated with the surviving compound system, {sup 179}Au, following the fusion reaction, {sup 90}Zr+{sup 89}Y.

  5. Multiphoton ionization of acetone clusters: Metastable unimolecular decomposition of acetone cluster ions and the influence of solvation on intracluster ion-molecule reactions

    SciTech Connect

    Tzeng, W.B.; Wei, S.; Castleman, A.W. Jr. )

    1989-08-02

    A comprehensive investigation of the reactions of acetone ions in clusters was made to investigate and compare the similarities and differences in the ion reactions due to solvation effects. Neutral acetone clusters, prepared in a pulsed nozzle supersonic expansion, are ionized using multiphoton ionization and investigated using a time-of-flight reflectron technique. The observed major cluster ions resulting from prompt fragmentation following ionization are ((CH{sub 3}){sub 2}CO){sub m} {times} H{sup +} (m = 1-15), ((CH{sub 3}){sub 2}CO){sub m} {times} C{sub 2}H{sub 3}O{sup +} (m = 1-17), and ((CH{sub 3}){sub 2}CO){sub m} {times} CH{sub 3}{sup +} (m = 1-10). In a time window of a few tens of microseconds, all three classes of cluster ions unimolecularly decompose, losing only one acetone monomer. Interestingly, a reaction corresponding to the dehydration of ((CH{sub 3}){sub 2}CO){sub m} {times} H{sup +} and leading to the production of ((CH{sub 3}){sub 2}CO){sub m-2} {times} C{sub 6}H{sub 11}O{sup +} is observed for m = 2-6. The most striking finding of the present study is that the presence of water molecules in a cluster suppresses the dehydration reaction. This finding clarifies the discrepancy between earlier studies reported in the literature and, most importantly, provides further evidence for the influence of a solvent on ion reactions in clusters, and ion-molecule reactions in general.

  6. Platinum single-atom and cluster catalysis of the hydrogen evolution reaction

    NASA Astrophysics Data System (ADS)

    Cheng, Niancai; Stambula, Samantha; Wang, Da; Banis, Mohammad Norouzi; Liu, Jian; Riese, Adam; Xiao, Biwei; Li, Ruying; Sham, Tsun-Kong; Liu, Li-Min; Botton, Gianluigi A.; Sun, Xueliang

    2016-11-01

    Platinum-based catalysts have been considered the most effective electrocatalysts for the hydrogen evolution reaction in water splitting. However, platinum utilization in these electrocatalysts is extremely low, as the active sites are only located on the surface of the catalyst particles. Downsizing catalyst nanoparticles to single atoms is highly desirable to maximize their efficiency by utilizing nearly all platinum atoms. Here we report on a practical synthesis method to produce isolated single platinum atoms and clusters using the atomic layer deposition technique. The single platinum atom catalysts are investigated for the hydrogen evolution reaction, where they exhibit significantly enhanced catalytic activity (up to 37 times) and high stability in comparison with the state-of-the-art commercial platinum/carbon catalysts. The X-ray absorption fine structure and density functional theory analyses indicate that the partially unoccupied density of states of the platinum atoms' 5d orbitals on the nitrogen-doped graphene are responsible for the excellent performance.

  7. Nucleation-conversion-polymerization reactions of biological macromolecules with prenucleation clusters.

    PubMed

    Garcia, Gonzalo A; Cohen, Samuel I A; Dobson, Christopher M; Knowles, Tuomas P J

    2014-03-01

    The self-assembly of biomolecules, such as peptides and proteins, into filaments is conventionally understood as a nucleated polymerization reaction. However, detailed analysis of experimental observation has revealed recently that nucleation pathways generate growth-competent nuclei via a cascade of metastable intermediate species, which are omitted in conventional models of filamentous growth based on classical nucleation theory. Here we take an analytical approach to generalizing the classical theory of nucleated polymerization to include the formation of these prenucleation clusters, providing a quantitative general classification of the behavior exhibited by these nucleation-conversion-polymerization reactions. A phase diagram is constructed, and analytical predictions are derived for key experimental observables. Using this approach, we delineate the characteristic time scales that determine the nature of biopolymer growth phenomena.

  8. Reactions between cold methyl halide molecules and alkali-metal atoms

    SciTech Connect

    Lutz, Jesse J.; Hutson, Jeremy M.

    2014-01-07

    We investigate the potential energy surfaces and activation energies for reactions between methyl halide molecules CH{sub 3}X (X = F, Cl, Br, I) and alkali-metal atoms A (A = Li, Na, K, Rb) using high-level ab initio calculations. We examine the anisotropy of each intermolecular potential energy surface (PES) and the mechanism and energetics of the only available exothermic reaction pathway, CH{sub 3}X + A → CH{sub 3} + AX. The region of the transition state is explored using two-dimensional PES cuts and estimates of the activation energies are inferred. Nearly all combinations of methyl halide and alkali-metal atom have positive barrier heights, indicating that reactions at low temperatures will be slow.

  9. Excitation functions for the production of superheavy nuclei in cold fusion reactions

    SciTech Connect

    Smolanczuk, Robert

    2000-01-01

    Excitation energy dependence of the cross sections of the reactions {sup 208}Pb{sub 126}({sup 50}Ti{sub 28},1n){sup 257}Rf{sub 153} and {sup 208}Pb{sub 126}({sup 58}Fe{sub 32},1n){sup 265}Hs{sub 157} is calculated and compared with the experimental data measured at GSI-Darmstadt. Such a dependence is also calculated for the reaction {sup 208}Pb{sub 126}({sup 86}Kr{sub 50},1n){sup 293}118{sub 175} reported recently by the Berkeley group, and for reactions which may lead to the synthesis of element 119 and production of its odd-Z descendants. Recommendations for future experiments based on the present study are presented. (c) 1999 The American Physical Society.

  10. Reactions between cold methyl halide molecules and alkali-metal atoms.

    PubMed

    Lutz, Jesse J; Hutson, Jeremy M

    2014-01-07

    We investigate the potential energy surfaces and activation energies for reactions between methyl halide molecules CH3X (X = F, Cl, Br, I) and alkali-metal atoms A (A = Li, Na, K, Rb) using high-level ab initio calculations. We examine the anisotropy of each intermolecular potential energy surface (PES) and the mechanism and energetics of the only available exothermic reaction pathway, CH3X + A → CH3 + AX. The region of the transition state is explored using two-dimensional PES cuts and estimates of the activation energies are inferred. Nearly all combinations of methyl halide and alkali-metal atom have positive barrier heights, indicating that reactions at low temperatures will be slow.

  11. Serious carbamazepine-induced hypersensitivity reactions associated with the HSP70 gene cluster.

    PubMed

    Alfirevic, Ana; Mills, Tracy; Harrington, Pauline; Pinel, Tracy; Sherwood, James; Jawaid, Ansar; Smith, John C; March, Ruth E; Barratt, Bryan J; Chadwick, David W; Kevin Park, B; Pirmohamed, Munir

    2006-04-01

    The use of carbamazepine (CBZ), the most commonly prescribed antiepileptic drug, is hampered by the occurrence of severe, potentially lethal hypersensitivity reactions. The pathogenesis of hypersensitivity is not yet known, but immune mechanisms are involved. Predisposition to CBZ hypersensitivity is likely to be genetically determined, and genes within the major histocompatibility complex (MHC) have been implicated. The heat shock protein (HSP70) gene cluster is located in the MHC class III region. Using a case-control study design, we compared 61 patients with CBZ hypersensitivity (22 with a severe reaction) to 44 patients on CBZ with no signs of hypersensitivity and 172 healthy controls. The genotyping strategy involved identification of common and rare single nucleotide polymorphisms (SNPs) within the HSP70 gene cluster by sequencing, estimation of linkage disequilibrium (LD) and haplotype structure, and thereafter, analysis of SNP/haplotype frequencies in the cases and controls. Population substructure was evaluated by genotyping of 34 microsatellites. Twenty-five SNPs were detected across the three HSP70 genes. Analyses revealed that alleles G, T and C at the SNPs HSPA1A +1911 C/G, HSPA1A +438 C/T and HSPA1L +2437 T/C, respectively, were associated with protection from serious hypersensitivity reactions to CBZ, with the associated alleles falling on a common haplotype. We were unable to detect the presence of population stratification in our patients and controls. Our data show that HSP70 gene variants are associated with serious CBZ hypersensitivity reactions, but whether this is causal or reflects LD with another gene within the MHC requires further study.

  12. Chiral glycine formation on cold interstellar grains by quantum tunneling hydrogen-deuterium substitution reactions

    NASA Astrophysics Data System (ADS)

    Oba, Yasuhiro; Watanabe, Naoki; Osamura, Yoshihiro; Kouchi, Akira

    2015-08-01

    We report experimental evidence that chiral glycine (NH2CHDCOOH) is formed by the surface reaction of normal glycine (NH2CH2COOH) solid with deuterium (D) atom at 12 K under the simulative conditions of interstellar molecular clouds. Chiral glycine formation is most likely initiated by the tunneling abstraction reaction of H atom by D atom followed by the addition of D atom to the glycine radical (NH2CHCOOH). Given that chiral glycine can form in such a primordial low-temperature environment, it might source molecular chirality as molecular clouds evolve into planetary systems.

  13. Cold fusion reaction of 58Fe + 208Pb analyzed by a generalized model of fusion by diffusion

    NASA Astrophysics Data System (ADS)

    Liu, Zu-Hua; Bao, Jing-Dong

    2012-05-01

    A generalized version of the fusion by diffusion model is proposed, in which evolution from dinuclear to mononuclear regimes is taken into account in terms of the coupled Langevin equations in the three-dimensional collective space of neck, radial, and asymmetric degrees of freedom. By simulating numerically these dynamic equations, the probability distribution of sinj, the separation between the surfaces of two approaching nuclei at the injection point in the asymmetric fission valley, is obtained. From the injection points, the system starts its climb uphill over the saddle point in the presence of thermal fluctuation; thus for very heavy systems the injection-point distance is a very critical constituent in the calculations of fusion probability. The present model is applied for the study of the mass asymmetric system 58Fe+208Pb. The excitation function for the 208Pb(58Fe,n)265Hs reaction is calculated and compared with the experimental data. By comparing the theoretical results with and without taking the asymmetric degree of freedom into account, we have arrived at the conclusion that nucleon flow between the asymmetric reaction partners in the early stage of the fusion process plays an important role in the formation of superheavy nuclei in the cold fusion reactions.

  14. Accelerated carbonation using municipal solid waste incinerator bottom ash and cold-rolling wastewater: Performance evaluation and reaction kinetics.

    PubMed

    Chang, E-E; Pan, Shu-Yuan; Yang, Liuhanzi; Chen, Yi-Hung; Kim, Hyunook; Chiang, Pen-Chi

    2015-09-01

    Accelerated carbonation of alkaline wastes including municipal solid waste incinerator bottom ash (MSWI-BA) and the cold-rolling wastewater (CRW) was investigated for carbon dioxide (CO2) fixation under different operating conditions, i.e., reaction time, CO2 concentration, liquid-to-solid ratio, particle size, and CO2 flow rate. The MSWI-BA before and after carbonation process were analyzed by the thermogravimetry and differential scanning calorimetry, X-ray diffraction, and scanning electron microscopy equipped with energy dispersive X-ray spectroscopy. The MSWI-BA exhibits a high carbonation conversion of 90.7%, corresponding to a CO2 fixation capacity of 102g perkg of ash. Meanwhile, the carbonation kinetics was evaluated by the shrinking core model. In addition, the effect of different operating parameters on carbonation conversion of MSWI-BA was statistically evaluated by response surface methodology (RSM) using experimental data to predict the maximum carbonation conversion. Furthermore, the amount of CO2 reduction and energy consumption for operating the proposed process in refuse incinerator were estimated. Capsule abstract: CO2 fixation process by alkaline wastes including bottom ash and cold-rolling wastewater was developed, which should be a viable method due to high conversion.

  15. Photoelectron Spectroscopy of Transition Metal Hydride Cluster Anions and Their Roles in Hydrogenation Reactions

    NASA Astrophysics Data System (ADS)

    Zhang, Xinxing; Bowen, Kit

    The interaction between transition metals and hydrogen has been an intriguing research topic for such applications as hydrogen storage and catalysis of hydrogenation and dehydrogenation. Special bonding features between TM and hydrogen are interesting not only because they are scarcely reported but also because they could help to discover and understand the nature of chemical bonding. Very recently, we discovered a PtZnH5- cluster which possessed an unprecedented planar pentagonal coordination between the H5- moiety and Pt, and exhibited special σ-aromaticity. The H5-kernel as a whole can be viewed as a η5-H5 ligand for Pt. As the second example, an H2 molecule was found to act as a ligand in the PdH3-cluster, in which two H atoms form a η2-H2 type of ligation to Pd. These transition metal hydride clusters were considered to be good hydrogen sources for hydrogenation. The reactions between PtHn- and CO2 were investigated. We observed formate in the final product H2Pt(HCO2)- .

  16. Cluster states and container picture in light nuclei, and triple-alpha reaction rate

    NASA Astrophysics Data System (ADS)

    Funaki, Yasuro

    2015-04-01

    The excited states in 12C are investigated by using an extended version of the so- called Tohsaki-Horiuchi-Schuck-Röpke (THSR) wave function, where both the 3α condensate and 8Be + α cluster asymptotic configurations are included. We focus on the structures of the “Hoyle band” states, 2+2, and 4+2 states, which are recently observed above the Hoyle state, and of the 0+3 and 0+4 states, which are also quite recently identified in experiment. We show that the Hoyle band is not simply considered to be the 8Be(0+) + α rotation as suggested by previous cluster model calculations, nor to be a rotation of a rigid-body triangle-shaped object composed of the 3α particles. We also discuss the rate of the triple-alpha radiative capture reaction, applyng the imaginary-time method. Results of the triple-alpha reaction rate are consistent with NACRE rate for both high (≈ 109K) and low (≈ 107 K) temperatures. We show that the rate of the imaginary-time calculation in coupled-channels approach has a large enhancement for low temperatures if we truncate the number of channels.

  17. [Effect of training on treadmill performance, aerobic capacity and body reactions to acute cold exposure].

    PubMed

    Iakushkin, A V; Akimov, E B; Andreev, R S; Kalenov, Iu N; Kozlov, A V; Kuznetsova, O V; Son'kin, V D

    2014-01-01

    An attempt was made to test the hypothesis that regular physical activity at the anaerobic threshold is able to stimulate an increase in the amount of body fat brown or beige, which can manifest itself in increasing lactate utilization during exercise and increase the reactivity in response to acute regional cooling. The methods used are: ramp test, regional acute cold exposure, measurement of gas exchange, lactate and glucose in the blood, heart rate, and heart rate variability, blood pressure and respiration variability at rest and during standard functional tests; infrared thermal imaging, statistical methods of results analysis. Workout 10 physically active volunteers (7 males and 3 females) on a treadmill at a speed corresponding to 75-80% of the persona VO2max for 30 minutes 3 times per week at a fixed ambient temperature 21-22°C for 6 weeks resulted in a significant (from 19 to 39%) increase in test work duration but VO2max on average changed little. The increase in power of anaerobic threshold was associated with a sharp slowdown in the accumulation of lactate in progress of ramp test. Lactate utilization rate during the recovery period, on the contrary, increased. In general, significantly increased work efficiency at a test load. Not revealed noticeable changes in the condition and response to a standard functional tests of autonomic systems, as judged by heart rate variability, blood pressure and respiration variability at rest and during orthostatic tests and imposed breathing rhythm. The functional response of the body to acute cold exposure (1 minute cooling of the feet in ice water) is not changed after a cycle of training--either in terms of metabolism (oxygen consumption, etc.), or the dynamics of the skin temperature in areas of most probable location of brown adipose tissue (BAT). These data do not confirm the previously expressed (2010) hypothesis about the function of BAT as a universal homeostatic instrument in the body. Probably, if under

  18. Cluster Emission in 13C + 12C and 12C + 12C Reactions at ~ 6 Mev/nucleon

    NASA Astrophysics Data System (ADS)

    Rana, T. K.; Bhattacharya, C.; Kundu, S.; Banerjee, K.; Bhattacharya, S.; Mukherjee, G.; Ghosh, T. K.; Meena, J. K.; Dhara, P.; Biswas, M.; Pai, H.; Mahata, K.; Kumar, Suresh; Ramachandran, K.; Rout, P. C.; Pandit, S. K.; Nanal, V.; Pillay, R. G.

    Cluster state formation viz. the population of unbound 8Be and the Hoyle state of 12C produced in the reactions 12C(77 MeV) + 12C and 13C(75 MeV) + 12C have been studied using resonance particle spectroscopy. It was observed that there is a large difference in the cluster state formation in these two reactions and the yield of neutron rich isotopes of different fragments is more in the 13C + 12C compared to 12C + 12C reactions at 6 MeV/u.

  19. Photoreduction and reoxidation of the three iron-sulfur clusters of reaction centers of green sulfur bacteria.

    PubMed

    Sétif, P; Seo, D; Sakurai, H

    2001-09-01

    Iron-sulfur clusters are the terminal electron acceptors of the photosynthetic reaction centers of green sulfur bacteria and photosystem I. We have studied electron-transfer reactions involving these clusters in the green sulfur bacterium Chlorobium tepidum, using flash-absorption spectroscopic measurements. We show for the first time that three different clusters, named F(X), F(1), and F(2), can be photoreduced at room temperature during a series of consecutive flashes. The rates of electron escape to exogenous acceptors depend strongly upon the number of reduced clusters. When two or three clusters are reduced, the escape is biphasic, with the fastest phase being 12-14-fold faster than the slowest phase, which is similar to that observed after single reduction. This is explained by assuming that escape involves mostly the second reducible cluster. Evidence is thus provided for a functional asymmetry between the two terminal acceptors F(1) and F(2). From multiple-flash experiments, it was possible to derive the intrinsic recombination rates between P840(+) and reduced iron-sulfur clusters: values of 7, 14, and 59 s(-1) were found after one, two and three electron reduction of the clusters, respectively. The implications of our results for the relative redox potentials of the three clusters are discussed.

  20. Entrance channel dynamics of hot and cold fusion reactions leading to superheavy elements

    NASA Astrophysics Data System (ADS)

    Umar, A. S.; Oberacker, V. E.; Maruhn, J. A.; Reinhard, P.-G.

    2010-06-01

    We investigate the entrance channel dynamics for the reactions Zn70+Pb208 and Ca48+U238 by using the fully microscopic time-dependent Hartree-Fock theory coupled with a density constraint. We calculate excitation energies and capture cross sections relevant for the study of superheavy formations. We discuss the deformation dependence of the ion-ion potential for the Ca48+U238 system and perform an alignment angle averaging for the calculation of the capture cross section. The results show that this approach can generate results in good agreement with experiments and other theories.

  1. Entrance channel dynamics of hot and cold fusion reactions leading to superheavy elements

    SciTech Connect

    Umar, A. S.; Oberacker, V. E.; Maruhn, J. A.; Reinhard, P.-G.

    2010-06-15

    We investigate the entrance channel dynamics for the reactions {sup 70}Zn+{sup 208}Pb and {sup 48}Ca+{sup 238}U by using the fully microscopic time-dependent Hartree-Fock theory coupled with a density constraint. We calculate excitation energies and capture cross sections relevant for the study of superheavy formations. We discuss the deformation dependence of the ion-ion potential for the {sup 48}Ca+{sup 238}U system and perform an alignment angle averaging for the calculation of the capture cross section. The results show that this approach can generate results in good agreement with experiments and other theories.

  2. Waterhammer Modeling for the Ares I Upper Stage Reaction Control System Cold Flow Development Test Article

    NASA Technical Reports Server (NTRS)

    Williams, Jonathan H.

    2010-01-01

    The Upper Stage Reaction Control System provides three-axis attitude control for the Ares I launch vehicle during active Upper Stage flight. The system design must accommodate rapid thruster firing to maintain the proper launch trajectory and thus allow for the possibility to pulse multiple thrusters simultaneously. Rapid thruster valve closure creates an increase in static pressure, known as waterhammer, which propagates throughout the propellant system at pressures exceeding nominal design values. A series of development tests conducted in the fall of 2009 at Marshall Space Flight Center were performed using a water-flow test article to better understand fluid performance characteristics of the Upper Stage Reaction Control System. A subset of the tests examined waterhammer along with the subsequent pressure and frequency response in the flight-representative system and provided data to anchor numerical models. This thesis presents a comparison of waterhammer test results with numerical model and analytical results. An overview of the flight system, test article, modeling and analysis are also provided.

  3. A Pt-cluster-based heterogeneous catalyst for homogeneous catalytic reactions: X-ray absorption spectroscopy and reaction kinetic studies of their activity and stability against leaching.

    PubMed

    Li, Yimin; Liu, Jack Hung-Chang; Witham, Cole A; Huang, Wenyu; Marcus, Matthew A; Fakra, Sirine C; Alayoglu, Pinar; Zhu, Zhongwei; Thompson, Christopher M; Arjun, Arpana; Lee, Kihong; Gross, Elad; Toste, F Dean; Somorjai, Gabor A

    2011-08-31

    The design and development of metal-cluster-based heterogeneous catalysts with high activity, selectivity, and stability under solution-phase reaction conditions will enable their applications as recyclable catalysts in large-scale fine chemicals production. To achieve these required catalytic properties, a heterogeneous catalyst must contain specific catalytically active species in high concentration, and the active species must be stabilized on a solid catalyst support under solution-phase reaction conditions. These requirements pose a great challenge for catalysis research to design metal-cluster-based catalysts for solution-phase catalytic processes. Here, we focus on a silica-supported, polymer-encapsulated Pt catalyst for an electrophilic hydroalkoxylation reaction in toluene, which exhibits superior selectivity and stability against leaching under mild reaction conditions. We unveil the key factors leading to the observed superior catalytic performance by combining X-ray absorption spectroscopy (XAS) and reaction kinetic studies. On the basis of the mechanistic understandings obtained in this work, we also provide useful guidelines for designing metal-cluster-based catalyst for a broader range of reactions in the solution phase.

  4. Cold gas filling a cosmic `Spiderweb' of proto-galaxies: witnessing the in-situ birth of a giant cluster elliptical?

    NASA Astrophysics Data System (ADS)

    Emonts, Bjorn; Sadler, Elaine; Norris, Ray; Ekers, Ron; de Breuck, Carlos; Miley, George; Mao, Minnie; Carilli, Chris; Dannerbauer, Helmut; Rottgering, Huub; van Moorsel, Gustaaf; Villar martin, Montse; Lehnert, Matthew; Seymour, Nick

    2014-10-01

    The largest galaxies in the Universe are giant ellipticals in the cores of galaxy clusters. They contain giant, diffuse stellar halos, whose formation history is uncertain. Simulations predict that their early evolutionary stages (in proto-clusters at z>1) are dominated by rapid gas cooling that triggers "in-situ" star-formation. Using ATCA, we may have obtained the first tantalizing observational evidence for this scenario, by detecting and resolving an extended (40 kpc) reservoir of cold molecular CO(1-0) gas in the spectacular `Spiderweb' radio galaxy at z=2.2. The Spiderweb Galaxy is one of the most massive galaxies in formation and likely the progenitor of a central-cluster elliptical. HST imaging showed that it is a highly clumped system in the core of a rich proto-cluster, with merging proto-galaxies and a diffuse UV-emitting halo that harbors widespread star formation across the IGM. We may now -for the first time- be in the process of identifying the fuel reservoir that can sustain such widespread star formation. We propose complementary high-resolution ATCA observations to establish to what extent the detected CO is diffuse or clumpy and to probe its kinematics. This will help elucidate the origin of the cold gas, and its potential role in star formation, cooling flows, gas-stripping and AGN-feedback. Our project will reveal new insights into the formation history of the largest galaxies in the Universe.

  5. Accelerated carbonation using municipal solid waste incinerator bottom ash and cold-rolling wastewater: Performance evaluation and reaction kinetics

    SciTech Connect

    Chang, E-E; Pan, Shu-Yuan; Yang, Liuhanzi; Chen, Yi-Hung; Kim, Hyunook; Chiang, Pen-Chi

    2015-09-15

    Highlights: • Carbonation was performed using CO{sub 2}, wastewater and bottom ash in a slurry reactor. • A maximum capture capacity of 102 g CO{sub 2} per kg BA was achieved at mild conditions. • A maximum carbonation conversion of MSWI-BA was predicted to be 95% by RSM. • The CO{sub 2} emission from Bali incinerator could be expected to reduce by 6480 ton/y. • The process energy consumption per ton CO{sub 2} captured was estimated to be 180 kW h. - Abstract: Accelerated carbonation of alkaline wastes including municipal solid waste incinerator bottom ash (MSWI-BA) and the cold-rolling wastewater (CRW) was investigated for carbon dioxide (CO{sub 2}) fixation under different operating conditions, i.e., reaction time, CO{sub 2} concentration, liquid-to-solid ratio, particle size, and CO{sub 2} flow rate. The MSWI-BA before and after carbonation process were analyzed by the thermogravimetry and differential scanning calorimetry, X-ray diffraction, and scanning electron microscopy equipped with energy dispersive X-ray spectroscopy. The MSWI-BA exhibits a high carbonation conversion of 90.7%, corresponding to a CO{sub 2} fixation capacity of 102 g per kg of ash. Meanwhile, the carbonation kinetics was evaluated by the shrinking core model. In addition, the effect of different operating parameters on carbonation conversion of MSWI-BA was statistically evaluated by response surface methodology (RSM) using experimental data to predict the maximum carbonation conversion. Furthermore, the amount of CO{sub 2} reduction and energy consumption for operating the proposed process in refuse incinerator were estimated. Capsule abstract: CO{sub 2} fixation process by alkaline wastes including bottom ash and cold-rolling wastewater was developed, which should be a viable method due to high conversion.

  6. Dynamical Cluster-decay Model (DCM) applied to 9Li+208Pb reaction

    NASA Astrophysics Data System (ADS)

    Kaur, Arshdeep; Hemdeep; Kaushal, Pooja; Behera, Bivash R.; Gupta, Raj K.

    2017-10-01

    The decay mechanism of 217At* formed in 9Li+208Pb reaction is studied within the dynamical cluster-decay model (DCM) at various center-of-mass energies. The aim is to see the behavior of a light neutron-rich radioactive beam on a doubly-magic target nucleus for the (total) fusion cross section σfus and the individual decay channel cross sections. Experimentally, only the isotopic yield of heavy mass residues 211-214At * [equivalently, the light-particles (LPs) evaporation residue cross sections σxn for x = 3- 6 neutrons emission] are measured, with the fusion-fission (ff) component σff taken zero. For a fixed neck-length parameter ΔR, the only parameter in the DCM, we are able to fit σfus =∑x=16σxn almost exactly for 9Li on 208Pb at all E c . m .'s. However, the observed individual decay channels (3n-6n) are very poorly fitted, with unobserved channels (1n, 2n) and σff strongly over-estimated. Different ΔR values, meaning thereby different reaction time scales, are required to fit individually both the observed and unobserved evaporation residue channels (1n-6n) and σff, but then the compound nucleus (CN) contribution σCN is very small (< 1%), and the non-compound nucleus (nCN) decay cross section σnCN contributes the most towards total σfus (=σCN +σnCN). Thus, the 9Li induced reaction on doubly-magic 208Pb is more of a quasi-fission-like nCN decay, which is further analyzed in terms of the statistical CN formation probability PCN and CN survival probability Psurv. For the reaction under study, PCN < < 1 and Psurv → 1, in particular at above barrier energies.

  7. Study of 10 Be and 16 C cluster structure by means of breakup reactions

    NASA Astrophysics Data System (ADS)

    Dell'Aquila, D.

    2016-03-01

    The study of cluster structures in nuclei far from stability represents a valid tool to explore the nuclear force in few-body systems. In this paper we discuss a new experimental investigation of the structure of 10Be and 16C nuclei by means of projectile sequential break-up reactions induced on CH2 target at intermediate-energies. Their spectroscopy is obtained via a relative energy analysis of break-up fragments with the CHIMERA multi-detector. From 4He+6He correlations we suggest the presence of a new state at about 13.5MeV in 10Be. The inspection of 6He+10Be break-up channel reveals the existence of a possible high-lying excited state at 20.6MeV in 16C. Finally, new perspectives concerning the improvement of the present results are discussed.

  8. Clustering effects in fusion evaporation reactions with light even-even N=Z nuclei

    NASA Astrophysics Data System (ADS)

    Morelli, L.; D'Agostino, M.; Bruno, M.; Frosin, C.; Gulminelli, F.; Gramegna, F.; Cinausero, M.; Marchi, T.; Fabris, D.; Degerlier, M.; Casini, G.; Barlini, S.; Bini, M.; Pasquali, G.; Olmi, A.; Piantelli, S.; Valdré, S.; Pastore, G.; Gelli, N.; Vardaci, E.

    2017-06-01

    In the recent years, cluster structures have been evidenced in many ground and excited states of light nuclei [1, 2]. In the currently experimental campaign, the NUCL-EX collaboration has measured the12C+12C and14N+10B reactions at 95 MeV and 80 MeV respectively. The experimental data corresponding to complete fusion of target and projectile into an excited24Mg nucleus was compared to the results of a pure statistical model [3, 4]. In addition, data from12C+12C have been analyzed to investigate the decay of the Hoyle state of12C* [12] obtained as an intermediate step in the 6α decay channel of the24Mg* formed in central events.

  9. Experimental and theoretical study of the reactions between neutral vanadium oxide clusters and ethane, ethylene, and acetylene.

    PubMed

    Dong, Feng; Heinbuch, Scott; Xie, Yan; Rocca, Jorge J; Bernstein, Elliot R; Wang, Zhe-Chen; Deng, Ke; He, Sheng-Gui

    2008-02-13

    Reactions of neutral vanadium oxide clusters with small hydrocarbons, namely C2H6, C2H4, and C2H2, are investigated by experiment and density functional theory (DFT) calculations. Single photon ionization through extreme ultraviolet (EUV, 46.9 nm, 26.5 eV) and vacuum ultraviolet (VUV, 118 nm, 10.5 eV) lasers is used to detect neutral cluster distributions and reaction products. The most stable vanadium oxide clusters VO2, V2O5, V3O7, V4O10, etc. tend to associate with C2H4 generating products V(m)O(n)C2H4. Oxygen-rich clusters VO3(V2O5)(n=0,1,2...), (e.g., VO3, V3O8, and V5O13) react with C2H4 molecules to cause a cleavage of the C=C bond of C2H4 to produce (V2O5)(n)VO2CH2 clusters. For the reactions of vanadium oxide clusters (V(m)O(n)) with C2H2 molecules, V(m)O(n)C2H2 are assigned as the major products of the association reactions. Additionally, a dehydration reaction for VO3 + C2H2 to produce VO2C2 is also identified. C2H6 molecules are quite stable toward reaction with neutral vanadium oxide clusters. Density functional theory calculations are employed to investigate association reactions for V2O5 + C2H(x). The observed relative reactivity of C2 hydrocarbons toward neutral vanadium oxide clusters is well interpreted by using the DFT calculated binding energies. DFT calculations of the pathways for VO3+C2H4 and VO3+C2H2 reaction systems indicate that the reactions VO3+C2H4 --> VO2CH2 + H2CO and VO3+C2H2 --> VO2C2 + H2O are thermodynamically favorable and overall barrierless at room temperature, in good agreement with the experimental observations.

  10. Al13@Pt42 Core-Shell Cluster for Oxygen Reduction Reaction

    PubMed Central

    Xiao, B. B.; Zhu, Y. F.; Lang, X. Y.; Wen, Z.; Jiang, Q.

    2014-01-01

    To increase Pt utilization for oxygen reduction reaction (ORR) in fuel cells, reducing particle sizes of Pt is a valid way. However, poisoning or surface oxidation limits the smallest size of Pt particles at 2.6 nm with a low utility of 20%. Here, using density functional theory calculations, we develop a core-shell Al13@Pt42 cluster as a catalyst for ORR. Benefit from alloying with Al in this cluster, the covalent Pt-Al bonding effectively activates the Pt atoms at the edge sites, enabling its high utility up to 70%. Valuably, the adsorption energy of O is located at the optimal range with 0.0–0.4 eV weaker than Pt(111), while OH-poisoning does not observed. Moreover, ORR comes from O2 dissociation mechanism where the rate-limiting step is located at OH formation from O and H with a barrier of 0.59 eV, comparable with 0.50 eV of OH formation from O and H2O on Pt(111). PMID:24902886

  11. Photo-induced reactions of hemin (DMSO) n clusters (n = 0-3) produced with electrospray ionization

    NASA Astrophysics Data System (ADS)

    Nonose, S.; Tanaka, H.; Okai, N.; Shibakusa, T.; Fuke, K.

    2002-09-01

    Photo-induced reaction of [Fe(III)-protoporphyrin]^+ (hemin^+) ions solvated with dimethylsulfoxide (DMSO) is investigated by using a tandem mass spectrometer with electrospray ionization. We measure the photodissociation yields of mass-selected hemin^+(DMSO)n clusters for n = 0 3 in the energy region of 15 800 28 200 cm^{-1}. The mass spectra of the fragment ions show the β-cleavage of carboxymethyl groups in addition to the evaporation of solvent molecules. Yield of the β-cleavage reaction is found to depend strongly on the excitation energy and the number of solvent molecules. We also examine the metastable decomposition of the clusters following primary mass selection and determine the incremental solvent binding energies and internal energies for the clusters using evaporative ensemble model. From these results, we investigate the reaction mechanism of β-cleavage of hemin^+ ion.

  12. The molecular mechanism of the ligand exchange reaction of an antibody against a glutathione-coated gold cluster.

    PubMed

    Rojas-Cervellera, Víctor; Raich, Lluís; Akola, Jaakko; Rovira, Carme

    2017-03-02

    The labeling of proteins with heavy atom clusters is of paramount importance in biomedical research, but its detailed molecular mechanism remains unknown. Here we uncover it for the particular case of the anti-influenza N9 neuraminidase NC10 antibody against a glutathione-coated gold cluster by means of ab initio QM/MM calculations. We show that the labeling reaction follows an associative double SN2-like reaction mechanism, involving a proton transfer, with low activation barriers only if one of the two distinct peptide/peptidic ligands (the one that occupies the side position) is substituted. Positively charged residues in the vicinity of the incoming thiol result in strong interactions between the antibody and the AuMPC, favoring the ligand exchange reaction for suitable protein mutants. These results pave the way for future investigations aimed at engineering biomolecules to increase their reactivity towards a desired gold atom cluster.

  13. Surface-induced reactions and dissociations of small acetone, acetonitrile and ethanol cluster ions: competitive chemical reactions, dissociation mechanisms and determination of dissociation energy

    NASA Astrophysics Data System (ADS)

    Mair, C.; Fedor, J.; Lezius, M.; Scheier, P.; Probst, M.; Herman, Z.; Märk, T. D.

    2003-01-01

    Using a recently commissioned tandem mass spectrometer system, BESTOF, we have carried out systematic investigations (using also deuterated molecules) on the interaction of various molecular cluster ions (including stoichiometric acetone and acetonitrile cluster ions and protonated ethanol cluster ions) with a hydrocarbon-covered stainless steel surface. Besides observing competitive chemical reactions for the stoichiometric cluster ions driven by the energy transfer in the surface collision (intra-cluster reactions versus surface H-atom pick-up reactions), we were able to see clear evidence that unimolecular dissociation kinetics determines the production of the observed decay patterns in collision energy-resolved mass spectra (CERMS). From characteristic shifts in these CERMS we can deduce corresponding binding energies, i.e., {D}((CD3CN)2+ - CD3CN) = 0.66 eV, {D}((C2H5OH)2H+ - C2H5OH) = 0.95 eV, and for the protonated dimer {D}((C2H5OH)H+ - C2H5OH) = 1.6 eV. The first value is in good agreement with values currently calculated using the B3LYP (Becke-Lee-Yang-Parr) density functional and the 6-311G(d, p) basis set, the latter values are in good agreement with values derived earlier from thermochemical data. Moreover, in the case of the protonated ethanol cluster ion, it is possible to arrive at a single (universal) breakdown graph for the trimer composed of data derived from monomer, dimer and trimer CERMS. This can be achieved by renormalizing the energy scale in the CERMS for the monomer, dimer and trimer ions (taking into account the conversion from translational to internal energy and assuming that the clusters behave like a statistical ensemble with the corresponding degrees of freedom).

  14. Sensing Size through Clustering in Non-Equilibrium Membranes and the Control of Membrane-Bound Enzymatic Reactions.

    PubMed

    Vagne, Quentin; Turner, Matthew S; Sens, Pierre

    2015-01-01

    The formation of dynamical clusters of proteins is ubiquitous in cellular membranes and is in part regulated by the recycling of membrane components. We show, using stochastic simulations and analytic modeling, that the out-of-equilibrium cluster size distribution of membrane components undergoing continuous recycling is strongly influenced by lateral confinement. This result has significant implications for the clustering of plasma membrane proteins whose mobility is hindered by cytoskeletal "corrals" and for protein clustering in cellular organelles of limited size that generically support material fluxes. We show how the confinement size can be sensed through its effect on the size distribution of clusters of membrane heterogeneities and propose that this could be regulated to control the efficiency of membrane-bound reactions. To illustrate this, we study a chain of enzymatic reactions sensitive to membrane protein clustering. The reaction efficiency is found to be a non-monotonic function of the system size, and can be optimal for sizes comparable to those of cellular organelles.

  15. Sensing Size through Clustering in Non-Equilibrium Membranes and the Control of Membrane-Bound Enzymatic Reactions

    PubMed Central

    Vagne, Quentin; Turner, Matthew S.; Sens, Pierre

    2015-01-01

    The formation of dynamical clusters of proteins is ubiquitous in cellular membranes and is in part regulated by the recycling of membrane components. We show, using stochastic simulations and analytic modeling, that the out-of-equilibrium cluster size distribution of membrane components undergoing continuous recycling is strongly influenced by lateral confinement. This result has significant implications for the clustering of plasma membrane proteins whose mobility is hindered by cytoskeletal “corrals” and for protein clustering in cellular organelles of limited size that generically support material fluxes. We show how the confinement size can be sensed through its effect on the size distribution of clusters of membrane heterogeneities and propose that this could be regulated to control the efficiency of membrane-bound reactions. To illustrate this, we study a chain of enzymatic reactions sensitive to membrane protein clustering. The reaction efficiency is found to be a non-monotonic function of the system size, and can be optimal for sizes comparable to those of cellular organelles. PMID:26656912

  16. The Effects of One-Dimensional Glide On the Reaction Kinetics of Interstitial Clusters

    SciTech Connect

    Heinisch, Howard L.; Singh, B. N.; Golubov, S. I.

    2000-09-01

    Collision cascades in metals produce small interstitial clusters and perfect dislocation loops that glide in thermally activated, one-dimensional (1D) random walks. These gliding defects can change their Burgers vectors by thermal activation or by interactions with other defects. Their migration is therefore ?mixed 1D/3D migration? along a 3D path consisting of 1D segments. The defect reaction kinetics under mixed 1D/3D diffusion are different from both pure 1D diffusion and pure 3D diffusion, both of which can be formulated within analytical rate theory models of microstructure evolution under irradiation. Atomic-scale Kinetic Monte Carlo defect migration simulations are used to investigate the effects of mixed 1D/3D migration on defect reaction kinetics as a guide for implementing mixed 1D/3D migration into the theory. The dependence of sink strength on the size and concentration of sinks under mixed 1D/3D migration lies between those for pure 1D and pure 3D migration and varies with the average distance between direction changes, L. The sink strength for sinks of size R under mixed 1D/3D migration can be approximated by an expression that varies directly as R2 for values of L greater than the sink size. The transition from mixed 1D/3D to pure 3D diffusion as L decreases is demonstrated in the simulations.

  17. Platinum single-atom and cluster catalysis of the hydrogen evolution reaction

    PubMed Central

    Cheng, Niancai; Stambula, Samantha; Wang, Da; Banis, Mohammad Norouzi; Liu, Jian; Riese, Adam; Xiao, Biwei; Li, Ruying; Sham, Tsun-Kong; Liu, Li-Min; Botton, Gianluigi A.; Sun, Xueliang

    2016-01-01

    Platinum-based catalysts have been considered the most effective electrocatalysts for the hydrogen evolution reaction in water splitting. However, platinum utilization in these electrocatalysts is extremely low, as the active sites are only located on the surface of the catalyst particles. Downsizing catalyst nanoparticles to single atoms is highly desirable to maximize their efficiency by utilizing nearly all platinum atoms. Here we report on a practical synthesis method to produce isolated single platinum atoms and clusters using the atomic layer deposition technique. The single platinum atom catalysts are investigated for the hydrogen evolution reaction, where they exhibit significantly enhanced catalytic activity (up to 37 times) and high stability in comparison with the state-of-the-art commercial platinum/carbon catalysts. The X-ray absorption fine structure and density functional theory analyses indicate that the partially unoccupied density of states of the platinum atoms' 5d orbitals on the nitrogen-doped graphene are responsible for the excellent performance. PMID:27901129

  18. Statistical properties of nanosized clusters on a surface in overdamped stochastic reaction-Cattaneo systems

    NASA Astrophysics Data System (ADS)

    Kharchenko, Vasyl O.; Kharchenko, Dmitrii O.; Dvornichenko, Alina V.

    2014-12-01

    In this work we study an overdamped stochastic reaction-Cattaneo model describing nanosized pattern formation on a surface at monolayer deposition. We study and compare an influence of both primary and secondary mechanisms onto pattern formation processes. The primary mechanisms relate to the rates of chemical reactions and interaction strength of adsorbate; the secondary mechanisms are related to finite atomic disturbance propagation speed and stochastic contribution satisfying fluctuation-dissipation relation. Considering statistical properties of surface structures we discuss transitions between homogeneous phases related to low and high density states. We illustrate that these transitions are accompanied by a formation of adsorbate or vacancy islands. It was found that spherical adsorbate and vacancy islands are characterized by different distribution functions over their sizes for different symmetry of substrate lattice. We have shown that depending on system control parameters island size distributions can change their modality. The size of localized nano-clusters can be controlled by both primary and secondary mechanisms of pattern formation.

  19. Pairwise velocities of dark matter haloes: a test for the Λ cold dark matter model using the bullet cluster

    NASA Astrophysics Data System (ADS)

    Thompson, Robert; Nagamine, Kentaro

    2012-02-01

    The existence of a bullet cluster (such as 1E 0657-56) poses a challenge to the concordance Λ cold dark matter (ΛCDM) model. Here we investigate the velocity distribution of dark matter (DM) halo pairs in large N-body simulations with differing box sizes (250 h-1 Mpc? Gpc) and resolutions. We examine various basic statistics such as the halo masses, pairwise halo velocities (v12), collisional angles and pair separation distances. We then compare our results to the initial conditions required to reproduce the observational properties of 1E 0657-56 in non-cosmological hydrodynamical simulations. We find that the high-velocity tail of the v12 distribution extends to greater velocities as we increase the simulation box size. We also find that the number of high v12 pairs increases as we increase the particle count and resolution with a fixed box size; however, this increase is mostly due to lower mass haloes which do not match the observed masses of 1E 0657-56. We find that the redshift evolution effect is not very strong for the v12 distribution function between z= 0.0 and z˜ 0.5. We identify some pairs whose v12 resemble the required initial conditions, however, even the best candidates have either wrong halo mass ratios or too large separations. Our simulations suggest that it is very difficult to produce such initial conditions at z= 0.0, 0.296 and 0.489 in comoving volumes as large as (2 h-1 Gpc)3. Based on the extrapolation of our cumulative v12 function, we find that one needs a simulation with a comoving box size of (4.48 h-1 Gpc)3 and 22403 DM particles in order to produce at least one pair of haloes that resembles the required v12 and observed masses of 1E 0657-56. From our simulated v12 probability distribution function, we find that the probability of finding a halo pair with v12≥ 3000 km s-1 and masses ? to be 2.76 × 10-8 at z= 0.489. We conclude that either 1E 0657-56 is incompatible with the concordance ΛCDM universe or the initial conditions

  20. NASA Ares I Launch Vehicle Upper Stage Reaction Control System (ReCS) Cold Flow Development Test Overview

    NASA Technical Reports Server (NTRS)

    Dervan, Melanie; Williams, Hunter; Holt, Kim; Sivak, Amy; Morris, Jon D.

    2010-01-01

    NASA s Ares I launch vehicle, consisting of a five segment solid rocket booster first stage and a liquid bi-propellant J2-X engine Upper Stage, is the vehicle that s been chosen to launch the Orion Crew Module, which will return humans to the Moon, Mars, and beyond. After First Stage booster separation, the Reaction Control System (ReCS), a monopropellant hydrazine system, will provide the Upper Stage element with three degrees of freedom control as needed. This paper provides an overview of the system level development testing that has taken place on the Ares I launch vehicle Upper Stage ReCS. The ReCS System Development Test Article (SDTA) was built as a flight representative water flow test article whose primary test objective was to obtain fluid system performance data to evaluate the integrate system performance characteristics and verify analytical models. Water is the industry standard for cold flow testing of hydrazine systems, because the densities are very close and the speeds of sound are well characterized. The completion of this development level test program was considered necessary to support the ReCS Critical Design Review. This paper will address the design approach taken in building the test article, the objectives of the test program, types of testing completed, general results, the ability of the program to meet the test objectives, and lessons learned

  1. Mapping cellular Fe-S cluster uptake and exchange reactions - divergent pathways for iron-sulfur cluster delivery to human ferredoxins.

    PubMed

    Fidai, Insiya; Wachnowsky, Christine; Cowan, J A

    2016-12-07

    Ferredoxins are protein mediators of biological electron-transfer reactions and typically contain either [2Fe-2S] or [4Fe-4S] clusters. Two ferredoxin homologues have been identified in the human genome, Fdx1 and Fdx2, that share 43% identity and 69% similarity in protein sequence and both bind [2Fe-2S] clusters. Despite the high similarity, the two ferredoxins play very specific roles in distinct physiological pathways and cannot replace each other in function. Both eukaryotic and prokaryotic ferredoxins and homologues have been reported to receive their Fe-S cluster from scaffold/delivery proteins such as IscU, Isa, glutaredoxins, and Nfu. However, the preferred and physiologically relevant pathway for receiving the [2Fe-2S] cluster by ferredoxins is subject to speculation and is not clearly identified. In this work, we report on in vitro UV-visible (UV-vis) circular dichroism studies of [2Fe-2S] cluster transfer to the ferredoxins from a variety of partners. The results reveal rapid and quantitative transfer to both ferredoxins from several donor proteins (IscU, Isa1, Grx2, and Grx3). Transfer from Isa1 to Fdx2 was also observed to be faster than that of IscU to Fdx2, suggesting that Fdx2 could receive its cluster from Isa1 instead of IscU. Several other transfer combinations were also investigated and the results suggest a complex, but kinetically detailed map for cellular cluster trafficking. This is the first step toward building a network map for all of the possible iron-sulfur cluster transfer pathways in the mitochondria and cytosol, providing insights on the most likely cellular pathways and possible redundancies in these pathways.

  2. Cold interactions and chemical reactions of linear polyatomic anions with alkali-metal and alkaline-earth-metal atoms.

    PubMed

    Tomza, Michał

    2017-06-28

    We consider collisional studies of linear polyatomic ions immersed in ultracold atomic gases and investigate the intermolecular interactions and chemical reactions of several molecular anions (OH(-), CN(-), NCO(-), C2H(-), C4H(-)) with alkali-metal (Li, Na, K, Rb, Cs) and alkaline-earth-metal (Mg, Ca, Sr, Ba) atoms. State-of-the-art ab initio techniques are applied to compute the potential energy surfaces (PESs) for these systems. The coupled cluster method restricted to single, double, and noniterative triple excitations, CCSD(T), is employed and the scalar relativistic effects in heavier metal atoms are modeled within the small-core energy-consistent pseudopotentials. The leading long-range isotropic and anisotropic induction and dispersion interaction coefficients are obtained within the perturbation theory. The PESs are characterized in detail and their universal similarities typical for systems dominated by the induction interaction are discussed. The two-dimensional PESs are provided for selected systems and can be employed in scattering calculations. The possible channels of chemical reactions and their control are analyzed based on the energetics of the reactants. The present study of the electronic structure is the first step towards the evaluation of prospects for sympathetic cooling and controlled chemistry of linear polyatomic ions with ultracold atoms.

  3. Coupled-cluster reaction barriers of HO2+H2O+O3: An application of the coupled-cluster//Kohn-Sham density functional theory model chemistry.

    PubMed

    Viegas, Luís P; Varandas, António J C

    2014-03-15

    In this work, we report a theoretical investigation concerning the use of the popular coupled-cluster//Kohn-Sham density functional theory (CC//KS-DFT) model chemistry, here applied to study the entrance channel of the HO2+H2O+O3 reaction, namely by comparing CC//KS-DFT calculations with KS-DFT, MRPT2//CASSCF, and CC//CASSCF results from our previous investigations. This was done by performing single point energy calculations employing several coupled cluster methods and using KS-DFT geometries optimized with six different functionals, while conducting a detailed analysis of the barrier heights and topological features of the curves and surfaces here obtained. The quality of this model chemistry is critically discussed in the context of the title reaction and also in a wider context. Copyright © 2013 Wiley Periodicals, Inc.

  4. The Effects of One-Dimensional Glide on the Reaction Kinetics of Interstitial Clusters

    SciTech Connect

    Heinisch, Howard L.; Singh, B. N.; Golubov, S. I.

    2000-12-01

    Collision cascades in metals produce small interstitial clusters and perfect dislocation loops that glide in thermally activated one-dimensional (1D) random walks. These gliding defects can change their Burgers vectors by thermal activation or by interactions with other defects. Their migration is therefore "mixed 1D/3D migration" along a 3D path consisting of 1D segments. The defect reaction kinetics under mixed 1D/3D diffusion are different from pure 1D diffusion and pure 3D diffusion, both of which can be formulated within analytical rate theory models of microstructure evolution under irradiation. Atomic-scale kinetic Monte Carlo (kMC) defect migration simulations are used to investigate the effects of mixed 1D/3D migration on defect reaction kinetics as a guide for implementing mixed 1D/3D migration into the analytical rate theory. The functional dependence of the sink strength on the sixe and concentration of sinks under mixed 1D/3D migration is shown to lie between that for pure 1D and pure 3D migration and varies with L, the average distance between direction changes of the gliding defects. It is shown that the sink strength in simulations for spherical sinks of radius R under mixed 1D/3D migration for values of L greater than R can be approximated by an expression that varies directly as R2. For small L, the form of the transition from mixed 1D/3D to pure 3D diffusion as L decreases is demonstrated in the simulations, the results of which can be used in the future development of an analytical expression describing this transition region.

  5. [Thyroid reactions in Wistar rats during the circadian rhythm after ganglionectomy at normal temperature and under cold exposure with regard to the influence of the epiphysis cerebri].

    PubMed

    Peschke, E; Peshke, D; Peil, J; Rúzsás, C; Mess, B

    1986-01-01

    Serum thyroxin (T4), serum TSH, and pituitary TSH were measured by radioimmunoassay (RIA) and serum cholesterol by Liebermann-Burchard reaction in rats 4 times a day (light-dark cycle: 14 L: 10 D) after gangliectomy (bilateral extirpation of the Ganglia cervicalia superiora) at cold and normal temperature conditions. 80 male Wistar rats were divided into 4 groups: sham-operated group, 24 degrees C (297 K); sham-operated group, 10 degrees C (283 K); gangliectomy, 24 degrees C (297 K), and gangliectomy, 10 degrees C (283 K). We have sacrificed the rats 30 d after operations at the following day-times: middle light, middle darkness, 1 h after light "on" and 1 h after light "off" (they were exposed to cold 72 h before killing). It was found that gangliectomy significantly depressed blood level of thyroxin. On the other hand, it enhanced the serum cholesterol and TSH levels as well as the pituitary TSH content. Exposure to cold increased thyroxin, serum TSH and pituitary TSH. The cholesterol level, however, was significantly decreased. Gangliectomy causes a reduction of the cold-induced stimulation of thyroxin (significant), serum TSH, and pituitary TSH content (significant). The cholesterol (in relation to the cold-exposure alone) was significantly increased under these conditions. We have found similar results in another long-time experiment (90 d exposure) after gangliectomy as well as after pinealectomy. There also appears a lowered thyroxin and an increased cholesterol level (in dependency on the seasons). Gangliectomy induced a decrease of the pineal weight and a compensatory thyroid growth. Exposure to cold induced an increase of pituitary and pineal weights. Gangliectomy provokes a reduction of the cold-induced augmentation of the pineal weight. The results indicate that gangliectomy diminishes the total levels of circulating T4 in the presence of an intact pineal gland and reduces the cold-induced increase of T4 in long-time experiments (30 and 90 d post

  6. Local traps as nanoscale reaction-diffusion probes: B clustering in c-Si

    NASA Astrophysics Data System (ADS)

    Pawlak, B. J.; Cowern, N. E. B.; Ahn, C.; Vandervorst, W.; Gwilliam, R.; van Berkum, J. G. M.

    2014-12-01

    A series of B implantation experiments into initially amorphized and not fully recrystallized Si, i.e., into an existing a/c-Si bi-layer material, have been conducted. We varied B dose, energy, and temperature during implantation process itself. Significant B migration has been observed within c-Si part near the a/c-interface and near the end-of-range region before any activation annealing. We propose a general concept of local trapping sites as experimental probes of nanoscale reaction-diffusion processes. Here, the a/c-Si interface acts as a trap, and the process itself is explored as the migration and clustering of mobile BI point defects in nearby c-Si during implantation at temperatures from 77 to 573 K. We find that at room temperature—even at B concentrations as high as 1.6 atomic %, the key B-B pairing step requires diffusion lengths of several nm owing to a small, ˜0.1 eV, pairing energy barrier. Thus, in nanostructures doped by ion implantation, the implant distribution can be strongly influenced by thermal migration to nearby impurities, defects, and interfaces.

  7. Wherefore Art Thou Copper? Structures and Reaction Mechanisms of Organocuprate Clusters in Organic Chemistry.

    PubMed

    Nakamura; Mori

    2000-11-03

    Organocopper reagents provide the most general synthetic tools in organic chemistry for nucleophilic delivery of hard carbanions to electrophilic carbon centers. A number of structural and mechanistic studies have been reported and have led to a wide variety of mechanistic proposals, some of which might even be contradictory to others. With the recent advent of physical and theoretical methodologies, the accumulated knowledge on organocopper chemistry is being put together into a few major mechanistic principles. This review will summarize first the general structural features of organocopper compounds and the previous mechanistic arguments, and then describe the most recent mechanistic pictures obtained through high-level quantum mechanical calculations for three typical organocuprate reactions, carbocupration, conjugate addition, and S(N)2 alkylation. The unified view on the nucleophilic reactivities of metal organocuprate clusters thus obtained has indicated that organocuprate chemistry represents an intricate example of molecular recognition and supramolecular chemistry, which chemists have long exploited without knowing it. Reasoning about the uniqueness of the copper atom among neighboring metal elements in the periodic table will be presented.

  8. Collinear cluster tripartition as sequential binary fission in the 235U(nth, f ) reaction

    NASA Astrophysics Data System (ADS)

    Tashkhodjaev, R. B.; Nasirov, A. K.; Scheid, W.

    2011-11-01

    The mechanism leading to the formation of the observed products of the collinear cluster tripartition (CCT) is carried out within the framework of the model based on the dinuclear system concept. The yield of fission products is calculated using the statistical model based on the driving potentials for the fissionable system. The minima of potential energy of the decaying system correspond to the charge numbers of the products which are produced with large probabilities in the sequential fission (partial case of CCT) of the compound nucleus. The realization of this mechanism supposes the asymmetric fission channel as the first stage of sequential mechanism. It is shown that only the use of the driving potential calculated by the binding energies with the shell correction allows us to explain the yield of the true ternary fission products. The theoretical model is applied to research CCT in the reaction 235U( n th, f). Calculations showed that the heavy products of two fission channels of 236U*, 82Ge* + 154Nd* and 86Se* + 150Ce*, can undergo sequential fission forming the CCT products 70Ni, 74, 76Zn, 80Ge and 84Se with relatively large probabilities which can be observed in coincidence with corresponding partner nucleus. The obtained results can explain some of the observed CCT products Ni and Ge in coincidence with the Ge and Se isotopes in the experiments of the FOBOS group in Joint Institute for Nuclear Research.

  9. Local traps as nanoscale reaction-diffusion probes: B clustering in c-Si

    SciTech Connect

    Pawlak, B. J.; Cowern, N. E. B.; Ahn, C.; Vandervorst, W.; Gwilliam, R.; Berkum, J. G. M. van

    2014-12-01

    A series of B implantation experiments into initially amorphized and not fully recrystallized Si, i.e., into an existing a/c-Si bi-layer material, have been conducted. We varied B dose, energy, and temperature during implantation process itself. Significant B migration has been observed within c-Si part near the a/c-interface and near the end-of-range region before any activation annealing. We propose a general concept of local trapping sites as experimental probes of nanoscale reaction-diffusion processes. Here, the a/c-Si interface acts as a trap, and the process itself is explored as the migration and clustering of mobile BI point defects in nearby c-Si during implantation at temperatures from 77 to 573 K. We find that at room temperature—even at B concentrations as high as 1.6 atomic %, the key B-B pairing step requires diffusion lengths of several nm owing to a small, ∼0.1 eV, pairing energy barrier. Thus, in nanostructures doped by ion implantation, the implant distribution can be strongly influenced by thermal migration to nearby impurities, defects, and interfaces.

  10. Oxygen reduction reaction on Cu-doped Ag cluster for fuel-cell cathode.

    PubMed

    Ma, Wenqiang; Chen, Fuyi; Zhang, Nan; Wu, Xiaoqiang

    2014-10-01

    The development of fuel cells as clean-energy technologies is largely limited by the prohibitive cost of the noble-metal catalysts needed for catalyzing the oxygen reduction reaction (ORR) in fuel cells. A fundamental understanding of catalyst design principle that links material structures to the catalytic activity can accelerate the search for highly active and abundant bimetallic catalysts to replace platinum. Here, we present a first-principles study of ORR on Ag12Cu cluster in alkaline environment. The adsorptions of O2, OOH, and OH on Cu-doped Ag13 are stronger than on Ag13. The d-band centers of adsorption sites show the Cu-doping makes d-electrons transferred to higher energy state, and improves O2 dissociation. ORR processes on Ag12Cu and Ag13 indicate Cu-doping can strongly promote ORR, and ORR process can be better preformed on Ag12Cu than on Ag13. For four-electron transfer, the effective reversible potential is 0.401 V/RHE on Ag12Cu in alkaline medium.

  11. 3d/4f Coordination Clusters as Cooperative Catalysts for Highly Diastereoselective Michael Addition Reactions.

    PubMed

    Griffiths, Kieran; Tsipis, Athanassios C; Kumar, Prashant; Townrow, Oliver P E; Abdul-Sada, Alaa; Akien, Geoffrey R; Baldansuren, Amgalanbaatar; Spivey, Alan C; Kostakis, George E

    2017-08-21

    Michael addition (MA) is one of the most well studied chemical transformation in synthetic chemistry. Here, we report the synthesis and crystal structures of a library of 3d/4f coordination clusters (CCs) formulated as [Zn(II)2Y(III)2L4(solv)X(Z)Y] and study their catalytic properties toward the MA of nitrostyrenes with barbituric acid derivatives. Each CC presents two borderline hard/soft Lewis acidic Zn(II) centers and two hard Lewis acidic Y(III) centers in a defect dicubane topology that brings the two different metals into a proximity of ∼3.3 Å. Density functional theory computational studies suggest that these tetrametallic CCs dissociate in solution to give two catalytically active dimers, each containing one 3d and one 4f metal that act cooperatively. The mechanism of catalysis has been corroborated via NMR, electron paramagnetic resonance, and UV-vis. The present work demonstrates for the first time the successful use of 3d/4f CCs as efficient and high diastereoselective catalysts in MA reactions.

  12. Mechanism for the stabilization of protein clusters above the solubility curve: the role of non-ideal chemical reactions

    NASA Astrophysics Data System (ADS)

    Lutsko, J. F.

    2016-06-01

    Dense protein clusters are known to play an important role in nucleation of protein crystals from dilute solutions. While these have generally been thought to be formed from a metastable phase, the observation of similar, if not identical, clusters above the critical point for the dilute-solution/strong-solution phase transition has thrown this into doubt. Furthermore, the observed clusters are stable for relatively long times. Because protein aggregation plays a central role in some pathologies, understanding the nature of such clusters is an important problem. One mechanism for the stabilization of such structures was proposed by Pan, Vekilov and Lubchenko and was investigated using a dynamical density functional theory model which confirmed the viability of the model. Here, we revisit that model and incorporate additional physics in the form of state-dependent reaction rates. We show by a combination of numerical results and general arguments that the state-dependent rates disrupt the stability mechanism. Finally, we argue that the state-dependent reactions correct unphysical aspects of the model with ideal (state-independent) reactions and that this necessarily leads to the failure of the proposed mechanism.

  13. Condensed Matter Cluster Reactions in LENR Power Cells for a Radical New Type of Space Power Source

    SciTech Connect

    Yang Xiaoling; Miley, George H.; Hora, Heinz

    2009-03-16

    This paper reviews previous theoretical and experimental study on the possibility of nuclear events in multilayer thin film electrodes (Lipson et al., 2004 and 2005; Miley et al., 2007), including the correlation between excess heat and transmutations (Miley and Shrestha, 2003) and the cluster theory that predicts it. As a result of this added understanding of cluster reactions, a new class of electrodes is under development at the University of Illinois. These electrodes are designed to enhance cluster formation and subsequent reactions. Two approaches are under development. The first employs improved loading-unloading techniques, intending to obtain a higher volumetric density of sites favoring cluster formation. The second is designed to create nanostructures on the electrode where the cluster state is formed by electroless deposition of palladium on nickel micro structures. Power units employing these electrodes should offer unique advantages for space applications. This is a fundamental new nuclear energy source that is environmentally compatible with a minimum of radiation involvement, high specific power, very long lifetime, and scalable from micro power to kilowatts.

  14. Assessment of Density Functional Theory in Predicting Structures and Free Energies of Reaction of Atmospheric Prenucleation Clusters.

    PubMed

    Elm, Jonas; Bilde, Merete; Mikkelsen, Kurt V

    2012-06-12

    This work assesses different computational strategies for predicting structures and Gibb's free energies of reaction of atmospheric prenucleation clusters. The performance of 22 Density Functional Theory functionals in predicting equilibrium structures of molecules and water prenucleation clusters of atmospheric relevance is evaluated against experimental data using a test set of eight molecules and prenucleation clusters: SO2, H2SO4, CO2·H2O, CS2·H2O, OCS·H2O, SO2·H2O, SO3·H2O, and H2SO4·H2O. Furthermore, the functionals are tested and compared for their ability to predict the free energy of reaction for the formation of five benchmark atmospheric prenucleation clusters: H2SO4·H2O, H2SO4·(H2O)2, H2SO4·NH3, HSO4(-)·H2O, and HSO4(-)·(H2O)2. The performance is evaluated against experimental data, coupled cluster, and complete basis set extrapolation procedure methods. Our investigation shows that the utilization of the M06-2X functional with the 6-311++G(3df,3pd) basis set represents an improved approach compared to the conventionally used PW91 functional, yielding mean absolute errors of 0.48 kcal/mol and maximum errors of 0.67 kcal/mol compared to experimental results.

  15. Iron-sulfur cluster exchange reactions mediated by the human Nfu protein.

    PubMed

    Wachnowsky, Christine; Fidai, Insiya; Cowan, J A

    2016-10-01

    Human Nfu is an iron-sulfur cluster protein that has recently been implicated in multiple mitochondrial dysfunctional syndrome (MMDS1). The Nfu family of proteins shares a highly homologous domain that contains a conserved active site consisting of a CXXC motif. There is less functional conservation between bacterial and human Nfu proteins, particularly concerning their Iron-sulfur cluster binding and transfer roles. Herein, we characterize the cluster exchange chemistry of human Nfu and its capacity to bind and transfer a [2Fe-2S] cluster. The mechanism of cluster uptake from a physiologically relevant [2Fe-2S](GS)4 cluster complex, and extraction of the Nfu-bound iron-sulfur cluster by glutathione are described. Human holo Nfu shows a dimer-tetramer equilibrium with a protein to cluster ratio of 2:1, reflecting the Nfu-bridging [2Fe-2S] cluster. This cluster can be transferred to apo human ferredoxins at relatively fast rates, demonstrating a direct role for human Nfu in the process of [2Fe-2S] cluster trafficking and delivery.

  16. A Study of the Cold Gas and Stellar Populations of the Antlia Cluster with KAT-7 and WISE

    NASA Astrophysics Data System (ADS)

    Hess, Kelley; Carignan, C.; Jarrett, T.; Goedhart, S.; Passmoor, S. S.; Wilcots, E. M.

    2014-01-01

    We present neutral hydrogen (HI) observations of the Antlia Galaxy Cluster from the Karoo Array Telescope (KAT-7), a MeerKAT/SKA pathfinder array in South Africa, and describe some of the data reduction challenges overcome by the science commissioning team. Antlia is the third most nearby, massive galaxy cluster, yet it is poorly studied because it lies at low Galactic latitude (l=+19'○) in the Southern hemisphere. We combine the KAT-7 HI data with WISE infrared observations to study the gaseous and stellar components of the galaxy population of this dynamically young system. The velocity information from KAT-7 allows us to confirm gas rich cluster members that lack optical spectroscopic redshifts. Antlia is an ideal target for KAT-7 spectral line commissioning because the recessional velocity of cluster members is not confused with Galactic hydrogen, and the telescope resolution is such that we recover the full HI flux of galaxies, while not suffering from source confusion. The WISE observations cut through Galactic extinction to provide a more complete census of cluster member candidates. Blind HI observations have shown that the presence of gas rich objects around the dense environments of clusters and massive groups is an excellent tracer of substructure, highlighting filaments where galaxies are being accreted within the dark matter halo. With two distinct concentrations of galaxies centered on each of two large elliptical galaxies, the cluster is likely still in the process of merging, making it an interesting target for environmentally driven galaxy evolution studies.

  17. Hot versus cold: The dichotomy in spherical accretion of cooling flows onto supermassive black holes in elliptical galaxies, galaxy groups, and clusters

    SciTech Connect

    Guo, Fulai; Mathews, William G.

    2014-01-10

    Feedback heating from active galactic nuclei (AGNs) has been commonly invoked to suppress cooling flows predicted in hot gas in elliptical galaxies, galaxy groups, and clusters. Previous studies have focused on if and how AGN feedback heats the gas but have little paid attention to its triggering mechanism. Using spherically symmetric simulations, we investigate how large-scale cooling flows are accreted by central supermassive black holes (SMBHs) in eight well-observed systems and find an interesting dichotomy. In massive clusters, the gas develops a central cooling catastrophe within about the cooling time (typically ∼100-300 Myr), resulting in cold-mode accretion onto SMBHs. However, in our four simulated systems on group and galaxy scales at a low metallicity Z = 0.3 Z {sub ☉}, the gas quickly settles into a long-term state that has a cuspy central temperature profile extending to several tens to about 100 pc. At the more realistic solar metallicity, two groups (with R {sub e} ∼ 4 kpc) still host the long-term, hot-mode accretion. Both accretion modes naturally appear in our idealized calculations where only cooling, gas inflow, and compressional heating are considered. The long-term, hot-mode accretion is maintained by the quickly established closeness between the timescales of these processes, preferably in systems with low gas densities, low gas metallicities, and importantly, compact central galaxies, which result in strong gravitational acceleration and compressional heating at the intermediate radii. Our calculations predict that central cuspy temperature profiles appear more often in smaller systems than galaxy clusters, which instead often host significant cold gas and star formation.

  18. Cold fusion in condensed matter

    SciTech Connect

    Schommers, W.; Politis, C. )

    1989-01-01

    A model for cold fusion in condensed matter is proposed (cold fusion of deuterons in palladium). It is assumed that the palladium-deuterium system forms an alloy, i.e., it is assumed that Pd ions as well as d/sup +/ ions are embedded in an uniform background of negative charge (conduction electrons). The model is based on an interaction potential for deuterons in solid palladium which has been estimated by means of a theoretical picture well known in the physics of liquids. In particular, the following effects are possible: 1. Cold fusion in condensed matter can take place. 2. The observed energy should be larger than that given by the fusion reactions. 3. Hitherto unknown nuclear processes must not be postulated as reported by Fleischmann and Pons. 4. The deuterons are mobile. 5. The deuterons can form close-packed clusters, and in principle a fusion reaction can take place within such a cluster. 6. Not only /sup 3/He should be produced in Pd but possible /sup 4/He too. From their theoretical picture, it can be concluded that experimental results will be strongly dependent on the condition of the materials used in the experiments. This can possible explain that only a part of experiments could show up cold fusion. A well defined condition (lattice defects, different phases, impurities, etc.) of the materials is probably the most critical point in connection with the observation of cold fusion in condensed matter. The effect should also be influenced by lattice dilatations. Experiments with other materials instead of palladium (e.g. vanadium, titanium, lanthanide metals, and different alloys) should be probably more informative.

  19. X-ray clusters in a cold dark matter + lambda universe: A direct, large-scale, high-resolution, hydrodynamic simulation

    NASA Technical Reports Server (NTRS)

    Cen, Renyue; Ostriker, Jeremiah P.

    1994-01-01

    A new, three-dimensional, shock-capturing, hydrodynamic code is utilized to determine the distribution of hot gas in a cold dark matter (CDM) + lambda model universe. Periodic boundary conditions are assumed: a box with size 85/h Mpc, having cell size 0.31/h Mpc, is followed in a simulation with 270(exp 3) = 10(exp 7.3) cells. We adopt omega = 0.45, lambda = 0.55, h identically equal to H/100 km/s/Mpc = 0.6, and then, from the cosmic background explorer (COBE) and light element nucleosynthesis, sigma(sub 8) = 0.77, omega(sub b) = 0.043. We identify the X-ray emitting clusters in the simulation box, compute the luminosity function at several wavelength bands, the temperature function and estimated sizes, as well as the evolution of these quantities with redshift. This open model succeeds in matching local observations of clusters in contrast to the standard omega = 1, CDM model, which fails. It predicts an order of magnitude decline in the number density of bright (h nu = 2-10 keV) clusters from z = 0 to z = 2 in contrast to a slight increase in the number density for standard omega = 1, CDM model. This COBE-normalized CDM + lambda model produces approximately the same number of X-ray clusters having L(sub x) greater than 10(exp 43) erg/s as observed. The background radiation field at 1 keV due to clusters is approximately the observed background which, after correction for numerical effects, again indicates that the model is consistent with observations.

  20. X-ray clusters in a cold dark matter + lambda universe: A direct, large-scale, high-resolution, hydrodynamic simulation

    NASA Technical Reports Server (NTRS)

    Cen, Renyue; Ostriker, Jeremiah P.

    1994-01-01

    A new, three-dimensional, shock-capturing, hydrodynamic code is utilized to determine the distribution of hot gas in a cold dark matter (CDM) + lambda model universe. Periodic boundary conditions are assumed: a box with size 85/h Mpc, having cell size 0.31/h Mpc, is followed in a simulation with 270(exp 3) = 10(exp 7.3) cells. We adopt omega = 0.45, lambda = 0.55, h identically equal to H/100 km/s/Mpc = 0.6, and then, from the cosmic background explorer (COBE) and light element nucleosynthesis, sigma(sub 8) = 0.77, omega(sub b) = 0.043. We identify the X-ray emitting clusters in the simulation box, compute the luminosity function at several wavelength bands, the temperature function and estimated sizes, as well as the evolution of these quantities with redshift. This open model succeeds in matching local observations of clusters in contrast to the standard omega = 1, CDM model, which fails. It predicts an order of magnitude decline in the number density of bright (h nu = 2-10 keV) clusters from z = 0 to z = 2 in contrast to a slight increase in the number density for standard omega = 1, CDM model. This COBE-normalized CDM + lambda model produces approximately the same number of X-ray clusters having L(sub x) greater than 10(exp 43) erg/s as observed. The background radiation field at 1 keV due to clusters is approximately the observed background which, after correction for numerical effects, again indicates that the model is consistent with observations.

  1. Cluster correlation effects in 12C+12C and 14N+10B fusion-evaporation reactions

    NASA Astrophysics Data System (ADS)

    Morelli, L.; Baiocco, G.; D'Agostino, M.; Gulminelli, F.; Bruno, M.; Cinausero, M.; Degerlier, M.; Fabris, D.; Gramegna, F.; Marchi, T.; Barlini, S.; Bini, M.; Casini, G.; Gelli, N.; Olmi, A.; Pasquali, G.; Piantelli, S.; Valdré, S.

    2015-04-01

    The decay of highly excited states of 24Mg is studied in fusion evaporation events completely detected in charge in the reactions 12C+12C and 14N+10B at 95 and 80 MeV incident energy respectively. The comparison of light charged particles measured spectra with statistical model predictions suggests that the dominant reaction mechanism is compound nucleus (CN) formation and decay. However, in both reactions, a discrepancy with statistical expectations is found for α particles detected in coincidence with Carbon, Oxigen and Neon residues. The comparison between the two reactions shows that this discrepancy is only partly explained by an entrance channel effect. Evidence for cluster correlations in excited 24Mg CN is suggested by the comparison between the measured and calculated branching ratios for the channels involving α particles.

  2. Cluster expansion reactions of group 6 and 8 metallaboranes using transition metal carbonyl compounds of groups 7-9.

    PubMed

    Geetharani, K; Bose, Shubhankar Kumar; Sahoo, Satyanarayan; Varghese, Babu; Mobin, Shaikh M; Ghosh, Sundargopal

    2011-06-20

    The reinvestigation of an early synthesis of heterometallic cubane-type clusters has led to the isolation of a number of new clusters which have been characterized by spectroscopic and crystallographic techniques. The thermolysis of [(Cp*Mo)(2)B(4)H(4)E(2)] (1: E = S; 2: E = Se; Cp* = η(5)-C(5)Me(5)) in presence of [Fe(2)(CO)(9)] yielded cubane-type clusters [(Cp*Mo)(2)(μ(3)-E)(2)B(2)H(μ-H){Fe(CO)(2)}(2)Fe(CO)(3)], 4 and 5 (4: E = S; 5: E = Se) together with fused clusters [(Cp*Mo)(2)B(4)H(4)E(2)Fe(CO)(2)Fe(CO)(3)] (8: E = S; 9: E = Se). In a similar fashion, reaction of [(Cp*RuCO)(2)B(2)H(6)], 3, with [Fe(2)(CO)(9)] yielded [(Cp*Ru)(2)(μ(3)-CO)(2)B(2)H(μ-H){Fe(CO)(2)}(2)Fe(CO)(3)], 6, and an incomplete cubane cluster [(μ(3)-BH)(3)(Cp*Ru)(2){Fe(CO)(3)}(2)], 7. Clusters 4-6 can be described as heterometallic cubane clusters containing a Fe(CO)(3) moiety exo-bonded to the cubane, while 7 has an incomplete cubane [Ru(2)Fe(2)B(3)] core. The geometry of both compounds 8 and 9 consist of a bicapped octahedron [Mo(2)Fe(2)B(3)E] and a trigonal bipyramidal [Mo(2)B(2)E] core, fused through a common three vertex [Mo(2)B] triangular face. In addition, thermolysis of 3 with [Mn(2)(CO)(10)] permits the isolation of arachno-[(Cp*RuCO)(2)B(3)H(7)], 10. Cluster 10 constitutes a diruthenaborane analogue of 8-sep pentaborane(11) and has a structural isomeric relationship to 1,2-[{Cp*Ru}(2)(CO)(2)B(3)H(7)].

  3. Cluster secondary ion mass spectrometry imaging of interfacial reactions of TiO2 microspheres embedded in ionic liquids.

    PubMed

    Shen, Kan; Tarolli, Jay G; Winograd, Nicholas

    2016-02-15

    Our goal is to develop protocols for the elucidation of the identity and structure of reaction products embedded in a reaction medium. Results should find significance in a variety of disciplines ranging from the study of biological cells and tissues, to the steps associated with the functionalization of nanoparticles. We utilize cluster secondary ion mass spectrometry (cluster-SIMS) to acquire three-dimensional (3D) information about 5-30 µm TiO2 microspheres imbedded into an ionic liquid. The method allows molecular depth profiling with submicron spatial resolution and depth profiling with a resolution of several tens of nanometers. The ionic liquid matrix enshrouds the spheres, allowing them to be introduced into the vacuum environment of the mass spectrometer. The results provide 3D chemical information about these microspheres as they are synthesized by interfacial sol-gel reactions. We show that with 40 keV C60 (+) , it is possible to erode through the reaction medium and map the distribution of those embedded TiO2 microspheres. Moreover, we demonstrate that it is possible to monitor surface modification of the particles and, via ion beam drilling, elucidate their internal structure. Using cluster-SIMS imaging, we are able to elucidate the identity and structure of reaction products embedded in a reaction medium, a problem of long-standing interest for materials characterization. With this strategy, we have provided a new approach that may be especially useful for the characterization of biological tissue and cells within the vacuum confines of the mass spectrometer. Copyright © 2015 John Wiley & Sons, Ltd. Copyright © 2015 John Wiley & Sons, Ltd.

  4. Cluster Based Reaction Probabilities for Boron with Oxygen, Hydrogen, Water, Nitrogen, Nitrous Oxide, Carbon Dioxide, Carbon Monoxide, Methane, Tetrafluoromethane, and Silane

    DTIC Science & Technology

    1989-10-28

    measured for reactions of boron cluster ions with the gases in question. We present both total reaction probabilities and also the branching fractions...Water, Nitrogen, Nitrous Oxide, Carbon Dioxide, Carbon Monoxide, Methane, Tetrafluoromethane , and Silane Paul A. Hintz, Stephen A. Ruatta, and Scott...detailed study of boron cluster ion reaction dynamics, we have tried to present our cross section measurements in a form most useful to combustion

  5. Analyzing the anodic reactions for iron surface with a porous Al2O3 cluster with the scanning vibrating electrode

    NASA Astrophysics Data System (ADS)

    Eliyan, Faysal Fayez

    2017-09-01

    The Scanning Vibrating Electrode Technique (SVET) was used to analyze the anodic reactions inside and around a porous Al2O3 cluster embedded onto an iron foil. The tests were carried out at -0.7 V vs. Saturated Calomel Electrode, in naturally aerated solutions of 0.1, 0.2, 0.35, and 0.5 M bicarbonate concentration. During 10 h of testing, the SVET showed evidence for a formation of a passive film in and around the cluster, in the scanning area shown in the graphical abstract. In the dilute 0.1 and 0.2 M solutions, the passive films formed slower than those in 0.35 and 0.5 M solutions. In the SVET maps, the passive films showed that they could suppress dissolution to currents comparable to those of slower dissolution under the porous Al2O3 cluster.

  6. Reactions induced in (CF{sub 3}I){sub n} clusters by femtosecond UV laser pulses

    SciTech Connect

    Apatin, V. M.; Kompanets, V. O.; Lokhman, V. N.; Ogurok, N.-D. D.; Poydashev, D. G.; Ryabov, E. A. Chekalin, S. V.

    2012-10-15

    The excitation and ionization of CF{sub 3}I molecules and their clusters by femtosecond UV laser pulses is studied. It is concluded that the types of excitation of free CF{sub 3}I molecules and their clusters by femtosecond UV laser pulses are different. The composition and kinetic energy of ion products observed upon the ionization of (CF{sub 3}I){sub n} clusters by femtosecond pulses are found to differ considerably from those obtained upon ionization by nanosecond pulses. It is shown that the molecular I{sub 2}{sup +} ion is produced in reactions induced in (CF{sub 3}I){sub n} clusters by UV radiation. Using the pump-probe method, we found the two channels of producing I{sub 2}{sup +} ions with characteristic times {tau}{sub 1} Almost-Equal-To 1 ps and {tau}{sub 2} Almost-Equal-To 7 ps. A model of the reactions under study proposed in the paper is consistent with our experimental results.

  7. [Fuzzy cluster for analysis of the relationship between the structure of cephalosporins and immune cross-reaction].

    PubMed

    Hu, C Q; Jin, S H; Sun, X L; Ren, M D

    1990-09-01

    Six parameters (molecular negentropy, acidic group number, basic group number, proton donor group number, proton acceptor group number, and a ratio of C atomic group number to total atomic group number) for characterizing the structure of an antibody combining site in a R1 chain of cephalosporins were selected. Although 12 parameters characterized the site A and site B in a R1 chain were used in fuzzy cluster, Fischer weighting ratio (Fi) indicated that only 5 parameters, 4 of them characterized the structure of site A, play an important part in the cluster. Therefore it was speculated that the site A was the major combining site in the antigen-antibody interaction. According to the similarity of the R1 chains, cephalosporins could be clustered into 4 groups among which less cross-reaction took place. Using the "relative Hamming distance" of the R1 chains for description of their similarity, we found that the intensity of the cross-reaction assayed by immune tests had a close correlation with the "relative Hamming distance", so the distance was used for prediction of the intensity of the cross-reaction of cephalosporins.

  8. Insights into the reaction dynamics of molecules and clusters using femtosecond spectroscopy

    NASA Astrophysics Data System (ADS)

    Hurley, Sean Michael

    In this dissertation, studies of the ultrafast dynamics of HBr, HBr-water clusters, HBr clusters, acetone-water clusters and SO2 clusters are reported. Interrogation of the state formed by the avoided crossing of the Rydberg E(1Sigma+) state and valence state V( 1Sigma+) of HBr and DBr revealed dynamic behavior that was different for the two isotopomers. Pump-probe experiments on HBr showed no change in the lifetime over the range of pump wavelengths of 256.7 to 254.7 nm. However, the lifetime of DBr decreased as the pump wavelength was tuned bluer. Tunneling is involved in the scheme. Dissolution of acids is one of the most fundamental of solvation processes, where experimentally there is still a paucity of information regarding the dynamics of the phenomenon and the nature of the hydration complex leading to ion-pair formation. Herein we address these issues using femtosecond pump-probe spectroscopy. Evidence is presented showing that five water molecules are necessary for complete dissolution of an HBr molecule to form the contact ion-pair H+·Br-(H2O) n in the electronic ground state. Studies have revealed that in small mixed clusters (n < 5), the ion-pair formation can be photoinduced by electronic excitation. The ultrafast dynamics of HBr-water clusters have been investigated using the pump-probe technique coupled with reflectron time-of-flight mass spectrometry. HBr clusters, mixed HBr-water clusters and protonated water clusters are observed in the mass spectra. Dynamic studies reveal that when an HBr chromophore of a cluster is excited electronically, solvent reorganization occurs to form the solvent separated ion-pair. The influence of excitation wavelength and clustering on the dynamics are discussed. In addition, further evidence is presented confirming that complete dissolution of HBr requires five solvent molecules in the isolated complex. The ultrafast dynamics of mixed clusters of acetone and water, H +(CH3COH3)n(H2O) m, have been investigated using

  9. Reaction between HN and SN: a possible channel for the interstellar formation of N2 and SH in the cold interstellar clouds.

    PubMed

    Bhasi, Priya; Nhlabatsi, Zanele P; Sitha, Sanyasi

    2015-12-28

    Using computational calculations the potential energy surface (PES) of the reaction between NH and NS has been analysed. The PES of the reaction shows the formation of two very stable species, HNSN and HNNS. Out of these two, HNNS which has the signature N-N linkage was found to be the most stable species in the PES. In view of the highly exothermic nature of the reaction surface, it has been proposed that these two species can possibly be detected in the interstellar space. For the first time it has also been shown that the reaction between the NH and NS can lead to the possible formation of N2via the isomer HNNS, and how the effect of tunnelling can make this reaction very much feasible, even under the extremely low temperature conditions prevailing in the interstellar medium. Based on the already reported results, a similar kind of behaviour for the NH + NO reaction surface has also been proposed. These dissociation reactions leading to the formation of N2 can be considered as potential secondary contributing channels while accounting for the total estimates of N2 in the interstellar medium, and thus HNNS as well as HNNO can be considered as stable reservoir molecules for interstellar N2. Besides the formation of N2, the formation of another astronomically important radical, SH in the cold interstellar clouds, has also been proposed.

  10. Identifying the common genetic networks of ADR (adverse drug reaction) clusters and developing an ADR classification model.

    PubMed

    Hwang, Youhyeon; Oh, Min; Jang, Giup; Lee, Taekeon; Park, Chihyun; Ahn, Jaegyoon; Yoon, Youngmi

    2017-08-22

    Adverse drug reactions (ADRs) are one of the major concerns threatening public health and have resulted in failures in drug development. Thus, predicting ADRs and discovering the mechanisms underlying ADRs have become important tasks in pharmacovigilance. Identification of potential ADRs by computational approaches in the early stages would be advantageous in drug development. Here we propose a computational method that elucidates the action mechanisms of ADRs and predicts potential ADRs by utilizing ADR genes, drug features, and protein-protein interaction (PPI) networks. If some ADRs share similar features, there is a high possibility that they may appear together in a drug and share analogous mechanisms. Proceeding from this assumption, we clustered ADRs according to interactions of ADR genes in the PPI networks and the frequency of co-occurrence of ADRs in drugs. ADR clusters were verified based on a side effect database and literature data regarding whether ADRs have relevance to other ADRs in the same cluster. Gene networks shared by ADRs in each cluster were constructed by cumulating the shortest paths between drug target genes and ADR genes in the PPI network. We developed a classification model to predict potential ADRs using these gene networks shared by ADRs and calculated cross-validation AUC (area under the curve) values for each ADR cluster. In addition, in order to demonstrate correlations between gene networks shared by ADRs and ADRs in a cluster, we applied the Wilcoxon rank sum statistical test to the literature data and results of a Google query search. We attained statistically meaningful p-values (<0.05) for every ADR cluster. The results suggest that our approach provides insights into discovering the action mechanisms of ADRs and is a novel attempt to predict ADRs in a biological aspect.

  11. The state of the warm and cold gas in the extreme starburst at the core of the Phoenix galaxy cluster (SPT-CLJ2344-4243)

    SciTech Connect

    McDonald, Michael; Bautz, Marshall W.; Swinbank, Mark; Edge, Alastair C.; Hogan, Michael T.; Wilner, David J.; Bayliss, Matthew B.; Veilleux, Sylvain; Benson, Bradford A.; Marrone, Daniel P.; McNamara, Brian R.; Wei, Lisa H.

    2014-03-20

    We present new optical integral field spectroscopy (Gemini South) and submillimeter spectroscopy (Submillimeter Array) of the central galaxy in the Phoenix cluster (SPT-CLJ2344-4243). This cluster was previously reported to have a massive starburst (∼800 M {sub ☉} yr{sup –1}) in the central, brightest cluster galaxy, most likely fueled by the rapidly cooling intracluster medium. These new data reveal a complex emission-line nebula, extending for >30 kpc from the central galaxy, detected at [O II]λλ3726, 3729, [O III]λλ4959, 5007, Hβ, Hγ, Hδ, [Ne III]λ3869, and He II λ4686. The total Hα luminosity, assuming Hα/Hβ = 2.85, is L {sub Hα} = 7.6 ± 0.4 ×10{sup 43} erg s{sup –1}, making this the most luminous emission-line nebula detected in the center of a cool core cluster. Overall, the relative fluxes of the low-ionization lines (e.g., [O II], Hβ) to the UV continuum are consistent with photoionization by young stars. In both the center of the galaxy and in a newly discovered highly ionized plume to the north of the galaxy, the ionization ratios are consistent with both shocks and active galactic nucleus (AGN) photoionization. We speculate that this extended plume may be a galactic wind, driven and partially photoionized by both the starburst and central AGN. Throughout the cluster we measure elevated high-ionization line ratios (e.g., He II/Hβ, [O III]/Hβ), coupled with an overall high-velocity width (FWHM ≳ 500 km s{sup –1}), suggesting that shocks are likely important throughout the interstellar medium of the central galaxy. These shocks are most likely driven by a combination of stellar winds from massive young stars, core-collapse supernovae, and the central AGN. In addition to the warm, ionized gas, we detect a substantial amount of cold, molecular gas via the CO(3-2) transition, coincident in position with the galaxy center. We infer a molecular gas mass of M{sub H{sub 2}} = 2.2 ± 0.6 × 10{sup 10} M {sub ☉}, which implies that

  12. The State of the Warm and Cold Gas in the Extreme Starburst at the Core of the Phoenix Galaxy Cluster (SPT-CLJ2344-4243)

    NASA Astrophysics Data System (ADS)

    McDonald, Michael; Swinbank, Mark; Edge, Alastair C.; Wilner, David J.; Veilleux, Sylvain; Benson, Bradford A.; Hogan, Michael T.; Marrone, Daniel P.; McNamara, Brian R.; Wei, Lisa H.; Bayliss, Matthew B.; Bautz, Marshall W.

    2014-03-01

    We present new optical integral field spectroscopy (Gemini South) and submillimeter spectroscopy (Submillimeter Array) of the central galaxy in the Phoenix cluster (SPT-CLJ2344-4243). This cluster was previously reported to have a massive starburst (~800 M ⊙ yr-1) in the central, brightest cluster galaxy, most likely fueled by the rapidly cooling intracluster medium. These new data reveal a complex emission-line nebula, extending for >30 kpc from the central galaxy, detected at [O II]λλ3726, 3729, [O III]λλ4959, 5007, Hβ, Hγ, Hδ, [Ne III]λ3869, and He II λ4686. The total Hα luminosity, assuming Hα/Hβ = 2.85, is L Hα = 7.6 ± 0.4 ×1043 erg s-1, making this the most luminous emission-line nebula detected in the center of a cool core cluster. Overall, the relative fluxes of the low-ionization lines (e.g., [O II], Hβ) to the UV continuum are consistent with photoionization by young stars. In both the center of the galaxy and in a newly discovered highly ionized plume to the north of the galaxy, the ionization ratios are consistent with both shocks and active galactic nucleus (AGN) photoionization. We speculate that this extended plume may be a galactic wind, driven and partially photoionized by both the starburst and central AGN. Throughout the cluster we measure elevated high-ionization line ratios (e.g., He II/Hβ, [O III]/Hβ), coupled with an overall high-velocity width (FWHM gsim 500 km s-1), suggesting that shocks are likely important throughout the interstellar medium of the central galaxy. These shocks are most likely driven by a combination of stellar winds from massive young stars, core-collapse supernovae, and the central AGN. In addition to the warm, ionized gas, we detect a substantial amount of cold, molecular gas via the CO(3-2) transition, coincident in position with the galaxy center. We infer a molecular gas mass of M_{H_2} = 2.2 ± 0.6 × 1010 M ⊙, which implies that the starburst will consume its fuel in ~30 Myr if it is not

  13. Molecular activation by surface coordination model: Insight into heterogeneous atmospheric chemistry through cluster-ion molecule reactions

    NASA Astrophysics Data System (ADS)

    Mactaylor, Ronald T. Stanford

    One specific discipline for which cluster work has particular relevance is atmospheric science. The original application of the fast flow reactor technique employed in this thesis was atmospheric science. Coincidentally, fast flow reactors are readily adaptable to cluster studies and in some cases the optimal methodology. Successive studies of a chemical reaction over a range of pressures using a fast flow reactor can allow the experimentalist to distinguish whether a reaction product is formed by a bimolecular or termolecular mechanism. This type of study applied to the HCl water cluster system revealed two distinct processes for HCl uptake. The bimolecular and termolecular HCl uptake processes, noted along with the specific ratios of water molecules to HCl molecules lead directly to the Molecular Activation by Surface Coordination model for heterogeneous processes involving HCl on water-ice polar stratospheric clouds. The efficiency of the termolecular uptake process indicated a strong interaction with the cluster. Since the association product is only observable on clusters where one HCl has already been incorporated by a bimolecular process, and this bimolecular process is interpreted as ionic dissolution, the logical conclusion is that the efficient association process must involve an ion-induced dipole interaction. The ramifications of this conclusion are that it is possible that the efficient heterogeneous chemical conversion processes which are required to explain polar stratospheric ozone loss, are in part due to the surface coordination of HCl (making it readily available to participate in reactions) and also a chemical activation aspect resulting from an ion-induced dipole. A noteworthy feature of this model is that it ties together the results of many studies of the HCl/ice system, which previously did not appear to be in accord with one another. Further exploration of the HCl protonated water cluster system reveal striking similarities to surface

  14. Reactions of simple aromatic heterocycles with niobium cluster ions (n<=30)

    NASA Astrophysics Data System (ADS)

    Pfeffer, Britta; Jaberg, Stephanie; Niedner-Schatteburg, Gereon

    2009-11-01

    Prior work on benzene activation by size selected niobium cluster cations and anions of up to 30 atoms is extended systematically through studying aromatic poly- and heterocyclic molecules such as naphthalene, pyridine, thiophene, pyrrole, furan, and benzofuran. Naphthalene is found to act much like benzene when reacting under single collision conditions with individual clusters. The most likely process is carbidization through complete dehydrogenation. Some clusters of particular sizes (most notably n=19) fail to activate both homocyclic molecules. Instead seemingly intact adsorption is observed which proves that activation is kinetically hindered at some point. All of the five studied heterocyclic aromatic molecules react unconditionally and by complete dehydrogenation with cationic niobium clusters, while they only attach to or react with anionic clusters larger than a minimum size of n=19-21. These findings are taken as strong evidence for initial coordination to the metal clusters of the heterocycles through their lone pair orbitals. The paper comprehends the observations in terms of cluster surface structure and reactivity.

  15. Gas-phase reactions of nickel and nickel-rich oxide cluster anions with nitric oxide. 2: The addition of nitric oxide, oxidation of nickel clusters, and the formation of nitrogen oxide anions

    SciTech Connect

    Vann, W.D.; Wagner, R.L.; Castleman, A.W. Jr.

    1998-11-05

    A fast flow reactor-quadrupole mass spectrometer coupled with a laser vaporization source is used to study the gas-phase reactions of nickel and nickel oxide cluster anions (Ni{sub x}O{sub y}{sup {minus}}, where x = 1--12 and y = 0, 1, or 2) with nitric oxide. The results indicate that three processes are occurring in the presence of the nickel cluster anions. First, nickel and nickel oxide clusters are oxidized by the reaction with nitric oxide. Second, addition products with these oxides are also formed. Third, nitrogen dioxide and nitrogen trioxide are formed on nickel oxide clusters and subsequently released as anions. Rate constants are reported for the initial reaction occurring between the nickel cluster anions and the nitric oxide, and the reaction rates are compared with reaction rates of the same nickel anion clusters with molecular oxygen. Finally, a comparison of the reaction rates for nickel oxides formed both in the flow tube and in the laser vaporization source are reported. These reactions (previously reported on Part 1) to help to provide a better understanding of the formation of free nitrogen oxide anions observed in the current experiments.

  16. Reaction mechanisms of CO oxidation on cationic, neutral, and anionic X-O-Cu (X = Au, Ag) clusters

    NASA Astrophysics Data System (ADS)

    Zhang, Yan; He, Xiao

    2017-10-01

    We performed extensive DFT calculations for the microscopic mechanism of CO oxidation on cationic, neutral and anionic X-O-Cu (X = Au, Ag) clusters. We obtained following findings. First, the reaction mechanism of neutral X-O-Cu (X = Au, Ag) to the CO follows the Eley-Rideal-like (ER) mechanism and Langmuir-Hinshelwood-like (LH) mechanism. Second, as compared to the pure Au clusters, new reaction pathways have been found via a Langmuir-Hinshelwood-like (LH) mechanism. The oxidation of CO on cationic Au-O-Cu in nature follows an Eley-Rideal-like (ER) mechanism. Third, comparing with their reaction profiles between cationic, neutral and anionic Au-O-Cu and CO, all the reactions on Ag-O-Cu can occur more easily. Furthermore, the selectivity of the oxidation of CO on Ag-O-Cu will be improved. On the basis of our calculations, we suggest that AgCu may also be a good catalyst due to its high oxidation performance.

  17. Assessment of climate change impacts on watershed in cold-arid region: an integrated multi-GCM-based stochastic weather generator and stepwise cluster analysis method

    NASA Astrophysics Data System (ADS)

    Zhuang, X. W.; Li, Y. P.; Huang, G. H.; Liu, J.

    2016-07-01

    An integrated multi-GCM-based stochastic weather generator and stepwise cluster analysis (MGCM-SWG-SCA) method is developed, through incorporating multiple global climate models (MGCM), stochastic weather generator (SWG), and stepwise-clustered hydrological model (SCHM) within a general framework. MGCM-SWG-SCA can investigate uncertainties of projected climate changes as well as create watershed-scale climate projections from large-scale variables. It can also assess climate change impacts on hydrological processes and capture nonlinear relationship between input variables and outputs in watershed systems. MGCM-SWG-SCA is then applied to the Kaidu watershed with cold-arid characteristics in the Xinjiang Uyghur Autonomous Region of northwest China, for demonstrating its efficiency. Results reveal that the variability of streamflow is mainly affected by (1) temperature change during spring, (2) precipitation change during winter, and (3) both temperature and precipitation changes in summer and autumn. Results also disclose that: (1) the projected minimum and maximum temperatures and precipitation from MGCM change with seasons in different ways; (2) various climate change projections can reproduce the seasonal variability of watershed-scale climate series; (3) SCHM can simulate daily streamflow with a satisfactory degree, and a significant increasing trend of streamflow is indicated from future (2015-2035) to validation (2006-2011) periods; (4) the streamflow can vary under different climate change projections. The findings can be explained that, for the Kaidu watershed located in the cold-arid region, glacier melt is mainly related to temperature changes and precipitation changes can directly cause the variability of streamflow.

  18. Grouping techniques for large-scale cluster dynamics simulations of reaction diffusion processes

    NASA Astrophysics Data System (ADS)

    Kohnert, Aaron A.; Wirth, Brian D.

    2017-01-01

    Cluster dynamics is a powerful, high fidelity, mesoscale method for modeling the kinetic evolution of point defects, impurities, and their clusters in materials and is commonly used in studying radiation damage. These methods excel at modeling nucleation, but often require too many equations to successfully model the long term growth and coarsening that govern microstructural evolution. One solution to this problem is to group equations into a coarser approximation of the cluster size distribution function which can reduce the cost of solution by many orders of magnitude. While such grouping methods have been advanced for a limited class of problems, no reliable method currently exists for the general case. This paper advances a framework for grouping arbitrary cluster dynamics problems, and develops several competing schemes based on that framework. These schemes are each evaluated against a variety of test problems designed to assess their accuracy, robustness, and efficiency.

  19. Probing the Statistical Decay and α-clustering effects in 12C + 12C and 14N + 10B reactions

    NASA Astrophysics Data System (ADS)

    Morelli, L.; Baiocco, G.; D'Agostino, M.; Bruno, M.; Gulminelli, F.; Cinausero, M.; Degerlier, M.; Fabris, D.; Gramegna, F.; Marchi, T.; Barlini, S.; Bini, M.; Casini, G.; Gelli, N.; Lopez, A.; Pasquali, G.; Piantelli, S.; Valdrè, S.

    2014-03-01

    An experimental campaign has been undertaken at Laboratori Nazionali di Legnaro (LNL INFN), Italy, in order to progress in our understanding of the statistical properties of light nuclei at excitation energies above particle emission threshold, by measuring exclusive data from fusion-evaporation reactions. On the experimental side, a first reaction: 12C+12C at 95 MeV beam energy has been measured, using the GARFIELD + Ring Counter (RCo) apparatuses. Fusion-evaporation events have been exclusively selected out of the entire data set. The comparison to a dedicated Hauser-Feshbach calculation allows us to give constraints on the nuclear level density at high excitation energy for light systems ranging from C up to Mg. Out-of-equilibrium aα emission has been evidenced and attributed both to an entrance channel effect (favoured by the cluster nature of reaction partners), and, in more dissipative events, to the persistence of cluster correlations well above the 24Mg threshold for 6 α's decay. In order to study the same 24Mg compound nucleus at similar excitation energy with respect to this first reaction a new measurement, 14N + 10B at 5.7 A.MeV, was performed at LNL laboratories with the same experimental setup. The comparison between the two systems would allow us to further constrain the level density of light nuclei in the mass-excitation energy range of interest. In this perspective, deviations from a statistical behaviour can be used as a tool to get information on nuclear clustering, both in the ground-state for projectile and target and in the hot source formed in the collision.

  20. Computational studies of atmospherically-relevant chemical reactions in water clusters and on liquid water and ice surfaces.

    PubMed

    Gerber, R Benny; Varner, Mychel E; Hammerich, Audrey D; Riikonen, Sampsa; Murdachaew, Garold; Shemesh, Dorit; Finlayson-Pitts, Barbara J

    2015-02-17

    CONSPECTUS: Reactions on water and ice surfaces and in other aqueous media are ubiquitous in the atmosphere, but the microscopic mechanisms of most of these processes are as yet unknown. This Account examines recent progress in atomistic simulations of such reactions and the insights provided into mechanisms and interpretation of experiments. Illustrative examples are discussed. The main computational approaches employed are classical trajectory simulations using interaction potentials derived from quantum chemical methods. This comprises both ab initio molecular dynamics (AIMD) and semiempirical molecular dynamics (SEMD), the latter referring to semiempirical quantum chemical methods. Presented examples are as follows: (i) Reaction of the (NO(+))(NO3(-)) ion pair with a water cluster to produce the atmospherically important HONO and HNO3. The simulations show that a cluster with four water molecules describes the reaction. This provides a hydrogen-bonding network supporting the transition state. The reaction is triggered by thermal structural fluctuations, and ultrafast changes in atomic partial charges play a key role. This is an example where a reaction in a small cluster can provide a model for a corresponding bulk process. The results support the proposed mechanism for production of HONO by hydrolysis of NO2 (N2O4). (ii) The reactions of gaseous HCl with N2O4 and N2O5 on liquid water surfaces. Ionization of HCl at the water/air interface is followed by nucleophilic attack of Cl(-) on N2O4 or N2O5. Both reactions proceed by an SN2 mechanism. The products are ClNO and ClNO2, precursors of atmospheric atomic chlorine. Because this mechanism cannot result from a cluster too small for HCl ionization, an extended water film model was simulated. The results explain ClNO formation experiments. Predicted ClNO2 formation is less efficient. (iii) Ionization of acids at ice surfaces. No ionization is found on ideal crystalline surfaces, but the process is efficient on

  1. A cluster randomized non-inferiority field trial on the immunogenicity and safety of tetanus toxoid vaccine kept in controlled temperature chain compared to cold chain.

    PubMed

    Juan-Giner, Aitana; Domicent, Camille; Langendorf, Céline; Roper, Martha H; Baoundoh, Paul; Fermon, Florence; Gakima, Primitive; Zipursky, Simona; Tamadji, Mbaihol; Grais, Rebecca F

    2014-10-29

    In resource-poor settings, cold chain requirements present barriers for vaccine delivery. We evaluated the immunogenicity and safety of tetanus toxoid (TT) vaccine in "Controlled Temperature Chain" (CTC; up to 40 °C for <30 days before administration), compared to standard cold chain (SCC; 2-8 °C). Prior to the study, stability parameters of TT-CTC were shown to meet international requirements. A cluster randomized, non-inferiority trial was conducted in Moïssala district, Chad, December 2012-March 2013. Thirty-four included clusters were randomized to CTC or SCC. Women aged 14-49 years, eligible for TT vaccination and with a history of ≤1 TT dose, received two TT doses 4 weeks apart. Participants were blinded to allocation strategy. Tetanus antibody titers were measured using standard ELISA at inclusion and 4 weeks post-TT2. Primary outcome measures were post-vaccination seroconversion and fold-increase in geometric mean concentrations (GMC). Non-inferiority was by seroconversion difference (TTSCC-TTCTC) <5% and ratio of GMCs (TTSCC/TTCTC) <1.5. Adverse events were monitored at health centers and at next contact with participants. A total of 2128 women (CTC=1068; SCC=1060) were recruited. Primary intention to vaccinate analysis included 1830 participants; 272 of these were included in the seroconversion analysis. Seroconversion was reached by >95% of participants; upper 95%CI of the difference was 5.6%. Increases in GMC were over 4-fold; upper 95%CI of GMC ratio was 1.36 in the adjusted analysis. Few adverse events were recorded. This study demonstrates the immunogenicity and safety of TT in CTC at <40 °C for <30 days. The high proportion of participants protected at baseline results in a reduction of power to detect a 5% non-inferiority margin. However, results at a 10% non-inferiority margin, the comparable GMC increases and vaccine's stability demonstrated in the preliminary phase indicate that CTC can be an alternative strategy for TT delivery in

  2. Cross sections of the (HI, αn) channel in the cold-fusion-type reactions 209Bi+ 40Ar and 208Pb+ 37Cl

    NASA Astrophysics Data System (ADS)

    Lazarev, Yu. A.; Oganessian, Yu. Ts.; Szeglowki, Z.; Utyonkov, V. K.; Kharitonov, Yu. P.; Constantinescu, O.; Liên, Dinh Thi; Shirokovsky, I. V.; Tretyakova, S. P.

    1994-11-01

    By applying an off-line radiochemistry technique, cross sections for the production of the isotope 240Cm(T {1}/{2}=27 d) in the cold-fusion-type reactions 209Bi+ 40Ar and 208Pb+ 37Cl at the bombarding energy Elab⩽230 MeV were determined to be 0.5±0.2 nb and 0.6±0.3 nb, respectively. The production of 240Cm was attributed to the 1n-deexcitation channel of the composite systems 249Md and 245Es. At the same time, the measured 240Cm production cross sections represent upper cross-section limits for the (HI, αn) channel of the reactions under study. These upper limits are about 100 times lower than the cross-section values reported recently by Nomura et al. for the ( 40Ar, αx n) channels with x=1,2 of the 209Bi+ 40Ar reaction at Elab=208 MeV. In the context of the above measurements, presented and discussed is the up-to-date summary of the available evidence on cross sections of the (HI, αxn) channels in the cold-fusion-type reactions induced by projectiles ranging from 37Cl to 50Ti on targets of 203,205Tl, 208Pb, and 209Bi nuclei. Appreciable EC(β +)-delayed or/and spontaneous fission effects were detected in the 209Bi+ 40Ar, 208Pb+ 37Cl, and 206Pb+ 37Cl reactions. The obtained data point, in particular, to the EC(β +)-delayed fission occuring in the decay chains ? and ?.

  3. Laser initiated reactions in N{sub 2}O clusters studied by time-sliced ion velocity imaging technique

    SciTech Connect

    Honma, Kenji

    2013-07-28

    Laser initiated reactions in N{sub 2}O clusters were studied by a time-sliced velocity imaging technique. The N{sub 2}O clusters, (N{sub 2}O){sub n}, generated by supersonic expansion were irradiated by an ultraviolet laser around 204 nm to convert reactant pairs, O({sup 1}D{sub 2})-(N{sub 2}O){sub n−1}. The NO molecules formed from these reactant pairs were ionized by the same laser pulse and their velocity distribution was determined by the time-sliced velocity imaging technique. At low nozzle pressure, lower than 1.5 atm, the speed distribution in the frame moving with the clusters consists of two components. These components were ascribed to the products appeared in the backward and forward directions in the center-of-mass frame, respectively. The former consists of the vibrational ground state and the latter consists of highly vibrational excited states. At higher nozzle pressure, a single broad speed distribution became dominant for the product NO. The pressure and laser power dependences suggested that this component is attributed to the product formed in the clusters larger than dimer, (N{sub 2}O){sub n} (n ≥ 3)

  4. Opening of Carborane Cages by Metal Cluster Complexes: The Reaction of a Thiolate-Substituted Carborane with Triosmium Carbonyl Cluster Complexes.

    PubMed

    Adams, Richard D; Kiprotich, Joseph; Peryshkov, Dmitry V; Wong, Yuen Onn

    2016-08-15

    The reaction of Os3(CO)10(NCMe)2 with closo-o-(1-SCH3)C2B10H11 has yielded the complex Os3(CO)9[μ3-η(3)-C2B10H9(SCH3)](μ-H)2, 1, by the loss of the two NCMe ligands and one CO ligand from the Os3 cluster and the coordination of the sulfur atom and the activation of two B-H bonds with transfer of the hydrogen atoms to the cluster. Reaction of 1 with a second equivalent of Os3(CO)10(NCMe)2 yielded the complex Os3(CO)9(μ-H)[(μ3-η(3)-1,4,5-μ3-η(3)-6,10,11-C2B10H8S(CH3)]Os3(CO)9(μ-H)2, 2, that contains two triosmium triangles attached to the same carborane cage. The carborane cage was opened by cleavage of two B-C bonds and one B-B bond. The B-H group that was pulled out of the cage became a triply bridging group on one of the Os3 triangles but remains bonded to the cage by two B-B bonds. When heated to 150 °C, 2 was transformed into the complex Os3(CO)9(μ-H)[(μ3-η(3)-μ3-η(3)-C2B10H7S(CH3)]Os3(CO)9(μ-H), 3, by the loss of two hydrogen atoms and a rearrangement that led to further opening of the carborane cage. Reaction of 1 with a second equivalent of closo-o-(1-SCH3)C2B10H11 has yielded the complex Os3(CO)6)(μ3-η(3)-C2B10H9-R-SCH3) (μ3-η(3)-C2B10H10-S-SCH3)(μ-H)3, 4a, containing two carborane cages coordinated to one Os3 cluster. Compound 4a was isomerized to the compound Os3(CO)6(μ3-η(3)-C2B10H9-R-SCH3)(μ3-η(3)-C2B10H10-R-SCH3)(μ-H)3, 4b, by an inversion of stereochemistry at one of the sulfur atoms by heating to 174 °C.

  5. Reaction of niobium and tantalum neutral clusters with low pressure, unsaturated hydrocarbons in a pickup cell: from dehydrogenation to Met-Car formation.

    PubMed

    He, S-G; Xie, Y; Dong, F; Bernstein, E R

    2006-10-28

    Neutral niobium and tantalum clusters (Nbn and Tan) are generated by laser ablation and supersonic expansion into a vacuum and are reacted in a pickup cell with various low pressure (approximately 1 mTorr) unsaturated hydrocarbons (acetylene, ethylene, propylene, 1-butene, 1,3-butadiene, benzene, and toluene) under nearly single collision conditions. The bare metal clusters and their reaction products are ionized by a 193 nm laser and detected by a time of flight mass spectrometer. Partially and fully dehydrogenated products are observed for small (nor=m) neutral metal clusters, respectively, with m ranging from 2 to 5 depending on the particular hydrocarbon. In addition to primary, single collision products, sequential addition products that are usually fully dehydrogenated are also observed. With toluene used as the reactant gas, carbon loss products are observed, among which Nb8C12 and Ta8C12 are particularly abundant, indicating that the Met-Car molecule M8C12 can be formed from the neutral metal cluster upon two collisions with toluene molecules. The dehydrogenation results for low pressure reactions are compared with those available from previous studies employing flow tube (high pressure) reactors. Low pressure and high pressure cluster ion reactions are also compared with the present neutral metal cluster reactions. Reactions of unsaturated hydrocarbons and metal surfaces are discussed in terms of the present neutral cluster results.

  6. Some thoughts on a simple mechanism for the [sup 2]H + [sup 2]H [yields] [sup 4]He cold fusion reaction

    SciTech Connect

    Park, A.E.

    1993-11-01

    A speculative mechanism for the creation of [sup 4]He using cold fusion is proposed. The nuclear transformation can be made by the fusion of two excited rotating ground states of deuterium into a highly excited rotating ground state of [sup 4]He. Under compression and relatively stable conditions, the formation of such a bound, stretched-out pnnp state of [sup 4]He would be favored (with respect to Coulomb repulsion) over other nuclear ground states without as much angular momentum. The reaction likely occurs at the surface of palladium. A more descriptive name for this reaction is compressed-rotational-shielded (CRS) fusion. Potential experimental conditions for enhancing the initiation of CRS fusion are discussed. 8 refs., 2 figs.

  7. Cluster structure effects of projectile in7Li+208Pb reaction

    NASA Astrophysics Data System (ADS)

    Rath, P. K.; Ashaduzzaman, Md; Vardaci, E.; Di Nitto, A.; La Rana, G.; Davide, F.; Pulcini, A.; Quero, D.; Mazzocco, M.; Pierroutsakou, D.; Cinausero, M.; Prete, G.; La Commara, M.; Parascandolo, C.; Romoli, M.; Gelli, N.

    2017-06-01

    Inclusive and exclusive cross sections have been measured for different projectile breakup channels. It is observed that the inclusive cross sections are larger than the exclusive ones. It is found that other processes, besides the direct breakup channel, significantly contribute to the inclusive channels. A clear α+x cluster structure has been found from coincidence data.

  8. Formaldehyde and methanol formation from reaction of carbon monoxide and hydrogen on neutral Fe2S2 clusters in the gas phase.

    PubMed

    Yin, Shi; Wang, Zhechen; Bernstein, Elliot R

    2013-04-07

    Reaction of CO with H2 on neutral FemSn clusters in a fast flow reactor is investigated both experimentally and theoretically. Single photon ionization at 118 nm is used to detect neutral cluster distributions through time of flight mass spectrometry. FemSn clusters are generated through laser ablation of a mixed iron-sulfur target in the presence of a pure helium carrier gas. A strong size dependent reactivity of (FeS)m clusters toward CO is characterized. The reaction FeS + CO → Fe + OCS is found for the FeS cluster, and the association product Fe2S2CO is observed for the Fe2S2 cluster. Products Fe2S2(13)COH2 and Fe2S2(13)COH4 are identified for reactions of (13)CO and H2 on Fe2S2 clusters: this suggests that the Fe2S2 cluster has a high catalytic activity for hydrogenation reactions of CO to form formaldehyde and methanol. Density functional theory (DFT) calculations are performed to explore the potential energy surfaces for the two reactions: Fe2S2 + CO + 2H2 → Fe2S2 + CH3OH; and Fe2S2 + CO + H2 → Fe2S2 + CH2O. A barrierless, thermodynamically favorable pathway is obtained for both catalytic processes. Catalytic cycles for formaldehyde and methanol formation from CO and H2 on a Fe2S2 cluster are proposed based on our experimental and theoretical investigations. The various reaction mechanisms explored by DFT are in good agreement with the experimental results. Condensed phase iron sulfide, which contains exposed Fe2S2 units on its surface, is suggested to be a good catalyst for low temperature formaldehyde/methanol synthesis.

  9. Ab initio and semi-empirical Molecular Dynamics simulations of chemical reactions in isolated molecules and in clusters.

    PubMed

    Gerber, R B; Shemesh, D; Varner, M E; Kalinowski, J; Hirshberg, B

    2014-06-07

    Recent progress in "on-the-fly" trajectory simulations of molecular reactions, using different electronic structure methods is discussed, with analysis of the insights that such calculations can provide and of the strengths and limitations of the algorithms available. New developments in the use of both ab initio and semi-empirical electronic structure algorithms are described. The emphasis is on: (i) calculations of electronic properties along the reactive trajectories and the unique insights this can contribute to the processes; (ii) electronic structure methods recently introduced to this topic to improve accuracy, extend applicability or enhance computational efficiency. The methods are presented with examples, including new results, of reactions of both isolated molecules and of molecules in media, mostly clusters. Possible future directions for this fast growing field are suggested.

  10. Cold Stress

    MedlinePlus

    ... Publications and Products Programs Contact NIOSH NIOSH COLD STRESS Recommend on Facebook Tweet Share Compartir Workers who ... cold environments may be at risk of cold stress. Extreme cold weather is a dangerous situation that ...

  11. Near Fermi Energy reaction dynamics and clustering in alpha-conjugate systems

    NASA Astrophysics Data System (ADS)

    Cao, Xiguang; Schmidt, Katarzyna; Kim, E.-J.; Hagel, K.; Barbui, M.; Wuenschel, S.; Natowitz, J. B.; Zheng, H.; Blando, N.; Bonasera, A.; Giuliani, G.

    2015-10-01

    Theoretical study predicted that the self-organizing of alpha cluster is favored over deuteron below a critical density with moderate temperature, where the possible Bose-Einstein condensation (BEC) is expected to occur. However the experimental information about the alpha states at low density is scarce. It is natural to pursue experiments with α conjugate beams and advanced detection apparatus to explore the collective dynamics of alpha clustered systems at low density. Systematical experiments were carried out with 40Ca and 28Si beams at 10, 25, 35 MeV/u incident on 28Si, 12C, 40Ca and 180Ta targets, detected with the NIMROD-ISiS 4 Pi detector array. It is found that there is a strong neck-like emission, which consists mainly of alpha-like fragments. The characteristic of the α emission source is explored by shape analysis, multi-particle correlation and quantum fluctuation approaches. How these observables reveal the possible alpha BEC in low density and possible exotic toroidal and linear chain configurations made out of alpha clusters is discussed.

  12. Reactions with a Metalloid Tin Cluster {Sn10[Si(SiMe3)3]4}(2-): Ligand Elimination versus Coordination Chemistry.

    PubMed

    Schrenk, Claudio; Gerke, Birgit; Pöttgen, Rainer; Clayborne, Andre; Schnepf, Andreas

    2015-05-26

    Chemistry that uses metalloid tin clusters as a starting material is of fundamental interest towards understanding the reactivity of such compounds. Since we identified {Sn10[Si(SiMe3)3]4}(2-) 7 as an ideal candidate for such reactions, we present a further step in the understanding of metalloid tin cluster chemistry. In contrast to germanium chemistry, ligand elimination seems to be a major reaction channel, which leads to the more open metalloid cluster {Sn10[Si(SiMe3)3]3}(-) 9, in which the Sn core is only shielded by three Si(SiMe3)3 ligands. Compound 9 is obtained through different routes and is crystallised together with two different countercations. Besides the structural characterisation of this novel metalloid tin cluster, the electronic structure is analysed by (119)Sn Mössbauer spectroscopy. Additionally, possible reaction pathways are discussed. The presented first step into the chemistry of metalloid tin clusters thus indicates that, with respect to metalloid germanium clusters, more reaction channels are accessible, thereby leading to a more complex reaction system.

  13. Exploring excited-state hydrogen atom transfer along an ammonia wire cluster: Competitive reaction paths and vibrational mode selectivity

    NASA Astrophysics Data System (ADS)

    Tanner, Christian; Manca, Carine; Leutwyler, Samuel

    2005-05-01

    The excited-state hydrogen-atom transfer (ESHAT) reaction of the 7-hydroxyquinoline•(NH3)3 cluster involves a crossing from the initially excited π1π* to a π1σ* state. The nonadiabatic coupling between these states induces homolytic dissociation of the O-H bond and H-atom transfer to the closest NH3 molecule, forming a biradical structure denoted HT1, followed by two more Grotthus-type translocation steps along the ammonia wire. We investigate this reaction at the configuration interaction singles level, using a basis set with diffuse orbitals. Intrinsic reaction coordinate calculations of the enol→HT1 step predict that the H-atom transfer is preceded and followed by extensive twisting and bending of the ammonia wire, as well as large O -H⋯NH3 hydrogen bond contraction and expansion. The calculations also predict an excited-state proton transfer path involving synchronous proton motions; however, it lies 20-25kcal/mol above the ESHAT path. Higher singlet and triplet potential curves are calculated along the ESHAT reaction coordinate: Two singlet-triplet curve crossings occur within the HT1 product well and intersystem crossing to these Tn states branches the reaction back to the enol reactant side, decreasing the ESHAT yield. In fact, a product yield of ≈40% 7-ketoquinoline•(NH3)3 is experimentally observed. The vibrational mode selectivity of the enol→HT1 reaction step [C. Manca, C. Tanner, S. Coussan, A. Bach, and S. Leutwyler, J. Chem. Phys. 121, 2578 (2004)] is shown to be due to the large sensitivity of the diffuse πσ* state to vibrational displacements along the intermolecular coordinates.

  14. Bond Activation and Hydrogen Evolution from Water through Reactions with M3S4 (M = Mo, W) and W3S3 Anionic Clusters.

    PubMed

    Kumar, Corrine A; Saha, Arjun; Raghavachari, Krishnan

    2017-03-02

    Transition metal sulfides (TMS) are being investigated with increased frequency because of their ability to efficiently catalyze the hydrogen evolution reaction. We have studied the trimetallic TMS cluster ions, Mo3S4(-), W3S4(-), and W3S3(-), and probed their efficiency for bond activation and hydrogen evolution from water. These clusters have geometries that are related to the edge sites on bulk MoS2 surfaces that are known to play a role in hydrogen evolution. Using density functional theory, the electronic structures of these clusters and their chemical reactivity with water have been investigated. The reaction mechanism involves the initial formation of hydroxyl and thiol groups, hydrogen migration to form an intermediate with a metal hydride bond, and finally, combination of a hydride and a proton to eliminate H2. Using this mechanism, free energy profiles of the reactions of the three metal clusters with water have been constructed. Unlike previous reactivity studies of other related cluster systems, there is no overall energy barrier in the reactions involving the M3S4 systems. The energy required for the rate-determining step of the reaction (the initial addition of the cluster by water) is lower than the separated reactants (-0.8 kcal/mol for Mo and -5.1 kcal/mol for W). They confirm the M3S4(-) cluster's ability to efficiently activate the chemical bonds in water to release H2. Though the W3S3(-) cluster is not as efficient at bond activation, it provides insights into the factors that contribute to the success of the M3S4 anionic systems in hydrogen evolution.

  15. Cold gas in hot star clusters: the wind from the red supergiant W26 in Westerlund 1

    NASA Astrophysics Data System (ADS)

    Mackey, Jonathan; Castro, Norberto; Fossati, Luca; Langer, Norbert

    2015-10-01

    The massive red supergiant W26 in Westerlund 1 is one of a growing number of red supergiants shown to have winds that are ionized from the outside in. The fate of this dense wind material is important for models of second generation star formation in massive star clusters. Mackey et al. (2014, Nature, 512, 282) showed that external photoionization can stall the wind of red supergiants and accumulate mass in a dense static shell. We use spherically symmetric radiation-hydrodynamic simulations of an externally photoionized wind to predict the brightness distribution of Hα and [N II] emission arising from photoionized winds both with and without a dense shell. We analyse spectra of the Hα and [N II] emission lines in the circumstellar environment around W26 and compare them with simulations to investigate whether W26 has a wind that is confined by external photoionization. Simulations of slow winds that are decelerated into a dense shell show strongly limb-brightened line emission, with line radial velocities that are independent of the wind speed. Faster winds (≳22 km s-1) do not form a dense shell, have less limb-brightening, and the line radial velocity is a good tracer of the wind speed. The brightness of the [N II] and Hα lines as a function of distance from W26 agrees reasonably well with observations when only the line flux is considered. The radial velocity of the simulated winds disagrees with observations, however: the brightest observed emission is blueshifted by ≈25 km s-1 relative to the radial velocity of the star, whereas a spherically symmetric wind has the brightest emission at zero radial velocity because of limb brightening. Our results show that the bright nebula surrounding W26 must be asymmetric, and we suggest that it is confined by external ram pressure from the extreme wind of the nearby supergiant W9. We obtain a lower limit on the nitrogen abundance within the nebula of 2.35 times solar. The line ratio strongly favours photoionization

  16. An accurate potential energy surface for the F + H2 → HF + H reaction by the coupled-cluster method.

    PubMed

    Chen, Jun; Sun, Zhigang; Zhang, Dong H

    2015-01-14

    A three dimensional potential energy surface for the F + H2 → HF + H reaction has been computed by the spin unrestricted coupled cluster method with singles, doubles, triples, and perturbative quadruples [UCCSDT(2)Q] using the augmented correlation-consistent polarised valence quadruple zeta basis set for the fluorine atom and the correlation-consistent polarised valence quadruple zeta basis set for the hydrogen atom. All the calculations are based on the restricted open-shell Hartree-Fock orbitals, together with the frozen core approximations, and the UCCSD(T)/complete basis set (CBS) correction term was included. The global potential energy surface was calculated by fitting the sampled ab initio points without any scaling factor for the correlation energy part using a neutral network function method. Extensive dynamics calculations have been carried out on the potential energy surface. The reaction rate constants, integral cross sections, product rotational states distribution, and forward and backward scattering as a function of collision energy of the F + HD → HF + D, F + HD → DF + H, and F + H2 reaction, were calculated by the time-independent quantum dynamics scattering theory using the new surface. The satisfactory agreement with the reported experimental observations previously demonstrates the accuracy of the new potential energy surface.

  17. Reaction norms in natural conditions: how does metabolic performance respond to weather variations in a small endotherm facing cold environments?

    PubMed

    Petit, Magali; Vézina, François

    2014-01-01

    Reaction norms reflect an organisms' capacity to adjust its phenotype to the environment and allows for identifying trait values associated with physiological limits. However, reaction norms of physiological parameters are mostly unknown for endotherms living in natural conditions. Black-capped chickadees (Poecile atricapillus) increase their metabolic performance during winter acclimatization and are thus good model to measure reaction norms in the wild. We repeatedly measured basal (BMR) and summit (Msum) metabolism in chickadees to characterize, for the first time in a free-living endotherm, reaction norms of these parameters across the natural range of weather variation. BMR varied between individuals and was weakly and negatively related to minimal temperature. Msum varied with minimal temperature following a Z-shape curve, increasing linearly between 24°C and -10°C, and changed with absolute humidity following a U-shape relationship. These results suggest that thermal exchanges with the environment have minimal effects on maintenance costs, which may be individual-dependent, while thermogenic capacity is responding to body heat loss. Our results suggest also that BMR and Msum respond to different and likely independent constraints.

  18. Reaction Norms in Natural Conditions: How Does Metabolic Performance Respond to Weather Variations in a Small Endotherm Facing Cold Environments?

    PubMed Central

    Petit, Magali; Vézina, François

    2014-01-01

    Reaction norms reflect an organisms' capacity to adjust its phenotype to the environment and allows for identifying trait values associated with physiological limits. However, reaction norms of physiological parameters are mostly unknown for endotherms living in natural conditions. Black-capped chickadees (Poecile atricapillus) increase their metabolic performance during winter acclimatization and are thus good model to measure reaction norms in the wild. We repeatedly measured basal (BMR) and summit (Msum) metabolism in chickadees to characterize, for the first time in a free-living endotherm, reaction norms of these parameters across the natural range of weather variation. BMR varied between individuals and was weakly and negatively related to minimal temperature. Msum varied with minimal temperature following a Z-shape curve, increasing linearly between 24°C and −10°C, and changed with absolute humidity following a U-shape relationship. These results suggest that thermal exchanges with the environment have minimal effects on maintenance costs, which may be individual-dependent, while thermogenic capacity is responding to body heat loss. Our results suggest also that BMR and Msum respond to different and likely independent constraints. PMID:25426860

  19. Measurement of the parity-violating triton emission asymmetry in the reaction {sup 6}Li(n,{alpha}){sup 3}H with polarized cold neutrons

    SciTech Connect

    Vesna, V. A.; Shulgina, E. V.; Gledenov, Yu. M.; Sedyshev, P. V.; Nesvizhevsky, V. V.; Petoukhov, A. K.; Soldner, T.; Zimmer, O.

    2008-03-15

    We describe measurements of the parity-violating (P-odd) triton emission asymmetry coefficient a{sub P-odd} in the {sup 6}Li(n,{alpha}){sup 3}H reaction with polarized cold neutrons. Experiments were carried out at the Petersburg Nuclear Physics Institute (Gatchina, Russia) and at the Institut Laue-Langevin (Grenoble, France). We employed an ionisation chamber in a configuration allowing us to suppress the left-right asymmetry well below 10{sup -8}. An additional test for a false asymmetry due to eventual target impurities (''zero test'') resulted in a{sub 0-test}=(0.0{+-}0.5)x10{sup -8}. As final result of this series of experiments we obtained a{sub P-odd}=(-8.8{+-}2.1)x10{sup -8}.

  20. Charge-Transfer Effects in Ligand Exchange Reactions of Au25 Monolayer-Protected Clusters.

    PubMed

    Carducci, Tessa M; Blackwell, Raymond E; Murray, Royce W

    2015-04-16

    Reported here are second-order rate constants of associative ligand exchanges of Au25L18 nanoparticles (L = phenylethanethiolate) of various charge states, measured by proton nuclear magnetic resonance at room temperature and below. Differences in second-order rate constants (M(-1) s(-1)) of ligand exchange (positive clusters ∼1.9 × 10(-5) versus negative ones ∼1.2 × 10(-4)) show that electron depletion retards ligand exchange. The ordering of rate constants between the ligands benzeneselenol > 4-bromobenzene thiol > benzenethiol reveals that exchange is accelerated by higher acidity and/or electron donation capability of the incoming ligand. Together, these observations indicate that partial charge transfer occurs between the nanoparticle and ligand during the exchange and that this is a rate-determining effect in the process.

  1. Gas-Phase Reactions of Silver Cluster Ions Produced by Fast Atom Bombardment

    DTIC Science & Technology

    1992-03-20

    oxide , AgO, produces Ag.* clusters with x = 1 -9 and Ag.O , y = 1 and 2 (fig. 3). Similar spectra are obtained from FAB of Ag20 and from...Ag5 + Ethene AgL4+ NR a Ag31-6+ NR NR Propene AgL2’ AgL2+ Ag3L3 + NR NR 1 - Butene AgL2+ AgL2+ Ag3 1 -3 + Ag4L+ NR Cis-2- Butene AgL2+ AgL2+ Ag3 1 -3...C)4 0 S3 C 0 CC 0: o4:rC Figure 3 C CNC CNC I).6 ( x CN Cl + + N 000 1 ( N q N LON en C.C 0 CNC CYV) 0Y CC3 cv 0C) 0 C) C0 3 C

  2. Size and structure effects of PtN (N = 12 - 13) clusters for the oxygen reduction reaction: First-principles calculations

    NASA Astrophysics Data System (ADS)

    Rodríguez-Kessler, P. L.; Rodríguez-Domínguez, A. R.

    2015-11-01

    Size and structure effects on the oxygen reduction reaction on PtN clusters with N = 12-13 atoms have been investigated using periodic density functional theory calculations with the generalized gradient approximation. To describe the catalytic activity, we calculated the O and OH adsorption energies on the cluster surface. The oxygen binding on the 3-fold hollow sites on stable Pt12-13 cluster models resulted more favorable for the reaction with O, compared with the Pt13(Ih) and Pt55(Ih) icosahedral particles, in which O binds strongly. However, the rate-limiting step resulted in the removal of the OH species due to strong adsorptions on the vertex sites, reducing the utility of the catalyst surface. On the other hand, the active sites of Pt12-13 clusters have been localized on the edge sites. In particular, the OH adsorption on a bilayer Pt12 cluster is the closest to the optimal target; with 0.0-0.2 eV weaker than the Pt(111) surface. However, more progress is necessary to activate the vertex sites of the clusters. The d-band center of PtN clusters shows that the structural dependence plays a decisive factor in the cluster reactivity.

  3. Size and structure effects of Pt{sub N} (N = 12 − 13) clusters for the oxygen reduction reaction: First-principles calculations

    SciTech Connect

    Rodríguez-Kessler, P. L.; Rodríguez-Domínguez, A. R.

    2015-11-14

    Size and structure effects on the oxygen reduction reaction on Pt{sub N} clusters with N = 12–13 atoms have been investigated using periodic density functional theory calculations with the generalized gradient approximation. To describe the catalytic activity, we calculated the O and OH adsorption energies on the cluster surface. The oxygen binding on the 3-fold hollow sites on stable Pt{sub 12−13} cluster models resulted more favorable for the reaction with O, compared with the Pt{sub 13}(I{sub h}) and Pt{sub 55}(I{sub h}) icosahedral particles, in which O binds strongly. However, the rate-limiting step resulted in the removal of the OH species due to strong adsorptions on the vertex sites, reducing the utility of the catalyst surface. On the other hand, the active sites of Pt{sub 12−13} clusters have been localized on the edge sites. In particular, the OH adsorption on a bilayer Pt{sub 12} cluster is the closest to the optimal target; with 0.0-0.2 eV weaker than the Pt(111) surface. However, more progress is necessary to activate the vertex sites of the clusters. The d-band center of Pt{sub N} clusters shows that the structural dependence plays a decisive factor in the cluster reactivity.

  4. Buffer Gas Modifiers Effect Resolution in Ion Mobility Spectrometry through Selective Ion-Molecule Clustering Reactions

    PubMed Central

    Fernández-Maestre, Roberto; Wu, Ching; Hill, Herbert H.

    2013-01-01

    RATIONALE When polar molecules (modifiers) are introduced into the buffer gas of an ion mobility spectrometer, most ion mobilities decrease due to the formation of ion-modifier clusters. METHODS We used ethyl lactate, nitrobenzene, 2-butanol, and tetrahydrofuran-2-carbonitrile as buffer gas modifiers and electrospray ionization ion mobility spectrometry (IMS) coupled to quadrupole mass spectrometry. Ethyl lactate, nitrobenzene, and tetrahydrofuran-2-carbonitrile had not been tested as buffer gas modifiers and 2-butanol had not been used with basic amino acids. RESULTS The ion mobilities of several diamines (arginine, histidine, lysine, and atenolol) were not affected or only slightly reduced when these modifiers were introduced into the buffer gas (3.4% average reduction in an analyte's mobility for the three modifiers). Intramolecular bridges caused limited change in the ion mobilities of diamines when modifiers were added to the buffer gas; these bridges hindered the attachment of modifier molecules to the positive charge of ions and delocalized the charge, which deterred clustering. There was also a tendency towards large changes in ion mobility when the mass of the analyte decreased; ethanolamine, the smallest compound tested, had the largest reduction in ion mobility with the introduction of modifiers into the buffer gas (61%). These differences in mobilities, together with the lack of shift in bridge-forming ions, were used to separate ions that overlapped in IMS, such as isoleucine and lysine, and arginine and phenylalanine, and made possible the prediction of separation or not of overlapping ions. CONCLUSIONS The introduction of modifiers into the buffer gas in IMS can selectively alter the mobilities of analytes to aid in compound identification and/or enable the separation of overlapping analyte peaks. PMID:22956312

  5. Discovery of a rich proto-cluster at z = 2.9 and associated diffuse cold gas in the VIMOS Ultra-Deep Survey (VUDS)

    NASA Astrophysics Data System (ADS)

    Cucciati, O.; Zamorani, G.; Lemaux, B. C.; Bardelli, S.; Cimatti, A.; Le Fèvre, O.; Cassata, P.; Garilli, B.; Le Brun, V.; Maccagni, D.; Pentericci, L.; Tasca, L. A. M.; Thomas, R.; Vanzella, E.; Zucca, E.; Amorin, R.; Capak, P.; Cassarà, L. P.; Castellano, M.; Cuby, J. G.; de la Torre, S.; Durkalec, A.; Fontana, A.; Giavalisco, M.; Grazian, A.; Hathi, N. P.; Ilbert, O.; Moreau, C.; Paltani, S.; Ribeiro, B.; Salvato, M.; Schaerer, D.; Scodeggio, M.; Sommariva, V.; Talia, M.; Taniguchi, Y.; Tresse, L.; Vergani, D.; Wang, P. W.; Charlot, S.; Contini, T.; Fotopoulou, S.; López-Sanjuan, C.; Mellier, Y.; Scoville, N.

    2014-10-01

    a rest frame EW of 10.8 ± 3.7 Å, with a detection S/N of ~4. We verify that this measurement is not likely to be due to noise fluctuations. These EW values imply a high column density (N(HI) ~ 3-20 × 1019 cm-2), consistent with a scenario where such absorption is due to intervening cold streams of gas that are falling into the halo potential wells of the proto-cluster galaxies. Nevertheless, we cannot rule out the hypothesis that this absorption line is related to the diffuse gas within the overdensity. Based on data obtained with the European Southern Observatory Very Large Telescope, Paranal, Chile, under Large Program 185.A-0791.

  6. Collinear cluster tripartition channel in the reaction {sup 235}U(n{sub th}, f)

    SciTech Connect

    Pyatkov, Yu. V.; Kamanin, D. V.; Kopach, Yu. N.; Alexandrov, A. A.; Alexandrova, I. A.; Borzakov, S. B.; Voronov, Yu. N.; Zhuchko, V. E.; Kuznetsova, E. A. Panteleev, Ts.; Tyukavkin, A. N.

    2010-08-15

    Investigation of the {sup 235}U(n{sub th}, f) reaction using the miniFOBOS double-arm time-of-flight spectrometer of fission fragments confirmed manifestations of the earlier unknown many-body, at least ternary, decay involving almost collinear decay-product escape, which were first observed in the spontaneous fission of {sup 252}Cf(sf). The use of variables sensitive to the nuclear charge of fission fragments allowed the reliability of identification of decay events to be increased and new decay modes to be revealed.

  7. Application of evolved gas analysis to cold-cap reactions of melter feeds for nuclear waste vitrification

    SciTech Connect

    Kruger, Albert A.; Chun, Jaehun; Hrma, Pavel R.; Rodriguez, Carmen P.; Schweiger, Michael J.

    2014-04-30

    In the vitrification of nuclear wastes, the melter feed (a mixture of nuclear waste and glass-forming and modifying additives) experiences multiple gas-evolving reactions in an electrical glass-melting furnace. We employed the thermogravimetry-gas chromatography-mass spectrometry (TGA-GC-MS) combination to perform evolved gas analysis (EGA). Apart from identifying the gases evolved, we performed quantitative analysis relating the weighed sum of intensities of individual gases linearly proportional with the differential themogravimetry. The proportionality coefficients were obtained by three methods based on the stoichiometry, least squares, and calibration. The linearity was shown to be a good first-order approximation, in spite of the complicated overlapping reactions.

  8. Production of cold target-like fragments in the reaction of /sup 48/Ca+/sup 248/Cm

    SciTech Connect

    Gaeggeler, H.; Bruechle, W.; Bruegger, M.; Schaedel, M.; Suemmerer, K.; Wirth, G.; Kratz, J.V.; Lerch, M.; Blaich, T.; Herrmann, G.

    1986-06-01

    Yields for isotopes of Rn through Pu have been measured in the reaction /sup 48/Ca+/sup 248/Cm at an energy of 248--263 MeV (1.04--1.10 times the Coulomb barrier). Despite the low bombarding energy, high and essentially constant integral yields of about 1 to 2 mb for the elements Rn through U were observed. There is evidence that these nuclides are produced with little excitation energy.

  9. On-surface reaction of tetraphenylporphyrins with Os3(CO)12 precursors and Os clusters: A scanning tunnelling microscopy investigation

    NASA Astrophysics Data System (ADS)

    Sağlam, Özge; Yetik, Görsel; Reichert, Joachim; Barth, Johannes V.; Papageorgiou, Anthoula C.

    2016-04-01

    The ability of porphyrin molecules to incorporate metal atoms into the cavity of the macrocycle is the primary factor that enables the plethora of their applications. The fabrication and characterisation of surface confined metal-organic architectures by employing porphyrins promise unique technical applications in the field of nanotechnology. Here we report on the efforts to use triosmium dodecacarbonyl as a metal precursor for the on-surface Os functionalisation of porphyrins under ultra-high vacuum conditions. We address the effects of the temperature treatment of mixtures of tetraphenylporphyrins and the Os precursor molecules, which can decompose to yield Os clusters, on Ag(111) via scanning tunnelling microscopy, a technique that provides real-space visualisation of the reaction products formed. It is shown that free base porphyrins can be metallated to osmium porphyrins. Furthermore the presence of Os on the Ag(111) surface catalyses intramolecular cyclodehydrogenations in tetraphenylporphyrins, as well as intermolecular tetraphenylporphyrin polymerisation.

  10. Reactions of the tetrahedral clusters [MCo(3)(CO)(12)](-) (M = Ru, Fe) with functional mono- and diynes.

    PubMed

    Choualeb, Aldjia; Braunstein, Pierre; Rosé, Jacky; Welter, Richard

    2004-01-12

    The tetrahedral cluster [RuCo(3)(CO)(12)](-) reacts with various alkynes, including the new PhCtbd1;CC(O)NHCH(2)Ctbd1;CH (L(1)()), to afford the butterfly clusters [RuCo(3)(CO)(10)(micro(4)-eta(2)-RC(2)R')](-) (1, R = R' = C(O)OMe; 2, R = H, R' = Ph; 3, R = H, R' = MeC=CH(2); 4, R = H, R' = CH(2)OCH(2)Ctbd1;CH; 5, R = H, R' = CH(2)NHC(O)Ctbd1;CPh), in which the ruthenium atom occupies a hinge position and the alkyne is coordinated in a micro(4)-eta(2) fashion. Reaction of the anions 1-3 with [Cu(NCMe)(4)]BF(4) led to selective loss of the 12e fragment Co(CO)(-) to form [RuCo(2)(CO)(9)(micro(3)-eta(2)-RC(2)R')] (6, R = R' = C(O)OMe; 7, R = H, R' = Ph; 8, R = H, R' = MeC=CH(2)). To prepare functionalized RuCo(3) or FeCo(3) clusters that could be subsequently condensed with a silica matrix via the sol-gel method, we reacted [MCo(3)(CO)(12)](-) (M = Ru, Fe) with the alkyne PhCtbd1;CC(O)NH(CH(2))(3)Si(OMe)(3)(L(2)()) and obtained the butterfly clusters [MCo(3)(CO)(10)(micro(4)-eta(2)-PhC(2)C(O)NH(CH(2))(3)Si(OMe)(3))](-) 9 and 10, respectively. Air-stable [RuCo(3)(CO)(10)(micro(4)-eta(2)-Me(3)SiC(2)Ctbd1;CSiMe(3))](-) (11) was obtained from 1,4-bis(trimethylsilyl)butadiyne and reacted with [Cu(NCMe)(4)]BF(4) to give [RuCo(2)(CO)(9)(micro(3)-eta(2)-HC(2)Ctbd1;CSiMe(3))] (12), owing to partial ligand proto-desilylation, and not the expected [RuCo(2)(CO)(9)(micro(3)-eta(2)-Me(3)SiC(2)Ctbd1;CSiMe(3))]. Reaction of 11 with [NO]BF(4) afforded, in addition to 12, [RuCo(3)(CO)(9)(NO)(micro(4)-eta(2)-Me(3)SiC(2)Ctbd1;CSiMe(3))] (13) owing to selective CO substitution on a wing-tip cobalt atom with NO. The thermal reaction of 11 with [AuCl(PPh(3))] led to replacement of a CO on Ru by the PPh(3) originating from [AuCl(PPh(3))] and afforded [RuCo(3)(CO)(9)(PPh(3))(micro(4)-eta(2)-Me(3)SiC(2)Ctbd1;CSiMe(3))](-) (14), also obtained directly by reaction of 11 with one equivalent of PPh(3). Proto-desilylation of 11 using TBAF/THF-H(2)O afforded [RuCo(3)(CO)(10)(micro(4)-eta(2)-Me(3)Si

  11. An Investigation of 4He+12C and 4He+16O Reactions Using the Cluster Model

    NASA Astrophysics Data System (ADS)

    A. H., Al-Ghamdi; Awad, A. Ibraheem; M. El-Azab, Farid

    2012-07-01

    The α-target semimicroscopic single folding potentials have been derived by folding a composite (repulsive and attractive) effective α-α interaction with the α-cluster distribution density in the target nuclei. The obtained potentials are considered as the real part of the nuclear optical model potentials, while the imaginary parts are phenomenologicaly expressed using the Woods—Saxon form. Nine sets of measured experimental data of the 4He+12C and 4He+16O elastic rainbow scattering over the energy range 80-240 MeV are analyzed using the obtained potentials. The data are successfully reproduced using the extracted potentials. The resulted reaction cross sections are also investigated and compared with the available corresponding data.

  12. Transient Clustering of Reaction Intermediates during Wet Etching of Silicon Nanostructures.

    PubMed

    Aabdin, Zainul; Xu, Xiu Mei; Sen, Soumyo; Anand, Utkarsh; Král, Petr; Holsteyns, Frank; Mirsaidov, Utkur

    2017-05-10

    Wet chemical etching is a key process in fabricating silicon (Si) nanostructures. Currently, wet etching of Si is proposed to occur through the reaction of surface Si atoms with etchant molecules, forming etch intermediates that dissolve directly into the bulk etchant solution. Here, using in situ transmission electron microscopy (TEM), we follow the nanoscale wet etch dynamics of amorphous Si (a-Si) nanopillars in real-time and show that intermediates generated during alkaline wet etching first aggregate as nanoclusters on the Si surface and then detach from the surface before dissolving in the etchant solution. Molecular dynamics simulations reveal that the molecules of etch intermediates remain weakly bound to the hydroxylated Si surface during the etching and aggregate into nanoclusters via surface diffusion instead of directly diffusing into the etchant solution. We confirmed this model experimentally by suppressing the formation of nanoclusters of etch intermediates on the Si surfaces by shielding the hydroxylated Si sites with large ions. These results suggest that the interaction of etch intermediates with etching surfaces controls the solubility of reaction intermediates and is an important parameter in fabricating densely packed clean 3D nanostructures for future generation microelectronics.

  13. Dynamical cluster decay model applied to very light mass compound systems of mass A~30 formed in heavy ion reactions

    NASA Astrophysics Data System (ADS)

    Bikram Singh, Bir; Kaur, Mandeep; Sharma, Manoj K.; Gupta, Raj K.

    2014-12-01

    The study of the decay of 32S* and 31P* compound systems formed in 20Ne+12C and 19F+12C reactions, respectively, is further extended on the basis of collective clusterization process within the dynamical cluster model (DCM) of Gupta and collaborators, with the effects of deformations and orientations included, at an excitation energy E*CN=60 MeV. In the present study, we have investigated the effects of deformations and orientations on the target, i.e., 12C like yield, denoted C-yield (σC), which contains fusion-fission (FF) decay cross-section, σFF, from compound nucleus process and deep inelastic orbiting (DIO) cross-section, σD1O, from non-compound nucleus process. As observed in one of our earlier study for 32S* system there is a competition between FF and DIO, while, for 31P* there is a contribution of FF cross-section only, in the total C-yield. The comparative analysis of C-Yield for the considerations of spherical and oriented nuclei, shows similar results with the only difference of the values of neck length parameter (ΔR), which are more for the later case. The calculated cross-sections ac show good agreement with experimental data for both the considerations.

  14. Pharmacovigilance from social media: mining adverse drug reaction mentions using sequence labeling with word embedding cluster features

    PubMed Central

    Sarker, Abeed; O’Connor, Karen; Ginn, Rachel

    2015-01-01

    Objective Social media is becoming increasingly popular as a platform for sharing personal health-related information. This information can be utilized for public health monitoring tasks, particularly for pharmacovigilance, via the use of natural language processing (NLP) techniques. However, the language in social media is highly informal, and user-expressed medical concepts are often nontechnical, descriptive, and challenging to extract. There has been limited progress in addressing these challenges, and thus far, advanced machine learning-based NLP techniques have been underutilized. Our objective is to design a machine learning-based approach to extract mentions of adverse drug reactions (ADRs) from highly informal text in social media. Methods We introduce ADRMine, a machine learning-based concept extraction system that uses conditional random fields (CRFs). ADRMine utilizes a variety of features, including a novel feature for modeling words’ semantic similarities. The similarities are modeled by clustering words based on unsupervised, pretrained word representation vectors (embeddings) generated from unlabeled user posts in social media using a deep learning technique. Results ADRMine outperforms several strong baseline systems in the ADR extraction task by achieving an F-measure of 0.82. Feature analysis demonstrates that the proposed word cluster features significantly improve extraction performance. Conclusion It is possible to extract complex medical concepts, with relatively high performance, from informal, user-generated content. Our approach is particularly scalable, suitable for social media mining, as it relies on large volumes of unlabeled data, thus diminishing the need for large, annotated training data sets. PMID:25755127

  15. Computing the cross sections of nuclear reactions with nuclear clusters emission for proton energies between 30 MeV and 2.6 GeV

    SciTech Connect

    Korovin, Yu. A.; Maksimushkina, A. V. Frolova, T. A.

    2016-12-15

    The cross sections of nuclear reactions involving emission of clusters of light nuclei in proton collisions with a heavy-metal target are computed for incident-proton energies between 30 MeV and 2.6 GeV. The calculation relies on the ALICE/ASH and CASCADE/INPE computer codes. The parameters determining the pre-equilibrium cluster emission are varied in the computation.

  16. Study on the oxygen reduction reaction catalyzed by a cold-tolerant marine strain phylogenetically related to Erythrobacter citreus.

    PubMed

    Li, Lianqiang; Ding, Fei; Sang, Lin; Liu, Jiaquan; Mao, Duolu; Liu, Xingjiang; Xu, Qiang

    2017-09-08

    As the development of marine economy, the submarine battery with the seawater electrolyte has obtained more and more attentions. Owing to the conventional electrochemical catalysts of the cathodes in seawater battery are expensive, it is to seek the new biological catalysts to improve the electrochemical performance of the cathode and reduce the cost of seawater battery. A novel marine bacterial strain (Strain SQ-32) phylogenetically related to the Erythrobactercitreus strain has been isolated from the sea-bed sludge in the Yellow Sea of China successfully. The electrochemical measurements, which include the cyclic voltammetry, potentiostatic polarization, and electrochemical impedance spectroscopy, have been conducted in synthetic seawater. The electrochemical testing results show that the Strain SQ-32 is a cold-tolerant bacterium, which may exhibit a catalytic activity for the ORR in synthetic seawater at a freezing temperature. The SEM photo demonstrates that the Strain SQ-32 displays a rod-shaped characteristic, which has a diameter of 0.4μm and a length of about 1-2.5μm. By the testing of Gram staining, the Strain SQ-32 has been identified as a Gram-negative bacterium. The chemical analytical result reveals that the bacterium cell of Strain SQ-32 contains 1.92mgg(-1) (DCW) of coenzyme Q10, which is a possible impact factor on the electro-catalytic effect on the Strain SQ-32. The exploitation of Strain SQ-32 may boost the development of the biocathode of seawater battery at a low temperature. Copyright © 2017. Published by Elsevier B.V.

  17. O-atom transport catalysis by neutral manganese oxide clusters in the gas phase: Reactions with CO, C2H4, NO2, and O2

    NASA Astrophysics Data System (ADS)

    Yin, Shi; Wang, Zhechen; Bernstein, Elliot R.

    2013-08-01

    Reactions of CO, C2H4, NO2, and O2 with neutral MnmOn clusters in a fast flow reactor are investigated both experimentally and theoretically. Single photon ionization at 118 nm is used to detect neutral cluster distributions through time of flight mass spectrometry. MnmOn clusters are generated through laser ablation of a manganese target in the presence of 5% O2/He carrier gas. A strong size dependent reactivity of MnmOn clusters is characterized. Reactions Mn2O5/Mn3O7 + CO → Mn2O4/Mn3O6 + CO2 are found for CO oxidation by MnmOn clusters, while only association products Mn2O3-5C2H4 and Mn3O5-7C2H4 are observed for reactions of C2H4 with small MnmOn clusters. Reactions of MnmOn clusters with NO2 and O2 are also investigated, and the small Mn2On clusters are easily oxidized by NO2. This activation suggests that a catalytic cycle can be generated for the Mn2O5 cluster: Mn2O5 + CO + NO2 → Mn2O4 + CO2 + NO2 → Mn2O5 + CO2 + NO. Density functional theory (DFT) calculations are performed to explore the potential energy surfaces for the reactions Mn2O4,5/Mn3O7 + CO → Mn2O3,4/Mn3O6 + CO2, Mn2O5 + C2H4 → Mn2O4 + CH3CHO, and Mn2O4 + NO2 → Mn2O5 + NO. Barrierless and thermodynamically favorable pathways are obtained for Mn2O5/Mn3O7 + CO and Mn2O4 + NO2 reactions. A catalytic cycle for CO oxidation by NO2 over a manganese oxide surface is proposed based on our experimental and theoretical investigations. The various atom related reaction mechanisms explored by DFT are in good agreement with the experimental results. Condensed phase manganese oxide is suggested to be a good catalyst for low temperature CO oxidation by NO2, especially for an oxygen rich sample.

  18. Comparison of clustering effects in 12C fragmentation among p+12C, α+12C, and 14N+12C reactions: Excitation of α-cluster degrees of freedom in nuclear collisions

    NASA Astrophysics Data System (ADS)

    Takemoto, Hiroki; Horiuchi, Hisashi; Ono, Akira

    1998-02-01

    We examine 12C fragmentation in p+12C, α+12C, and 14N+12C reactions using antisymmetrized molecular dynamics. We compare 12C fragmentation among the above three kinds of reactions and find that the alpha-clustering effect in 12C fragmentation depends on the projectile and also on the incident energy. In proton induced reactions 4He fragments are scarcely produced at the early stage of the reaction in a wide range of incident energy. On the other hand, in α and 14N induced reactions many 4He fragments are produced during the dynamical stage at a lower incident energy but fewer 4He fragments are produced with increasing incident energy. We indicate that this abundance of 4He fragments at a lower incident energy in α and 14N induced reactions is due to the excitation of 12C to states with an excitation energy of 7-15 MeV which have the alpha-cluster structure. We see that the upper limit of the incident energy which gives rise to the dynamical production of 4He fragments is lower in the α induced reaction than in the 14N induced reaction. We show that the excitation to the clustering states is caused by the mean field from the projectile and that nucleon-nucleon collisions work to destroy this excitation. We will see that the disappearance of the excitation to the clustering states at high incident energies is partly due to the weakened effect of the mean field of the projectile and partly due to the strengthened effect of nucleon-nucleon collision processes.

  19. Ce(x)O(y)⁻ (x = 2-3) + D₂O reactions: stoichiometric cluster formation from deuteroxide decomposition and anti-Arrhenius behavior.

    PubMed

    Felton, Jeremy A; Ray, Manisha; Waller, Sarah E; Kafader, Jared O; Jarrold, Caroline Chick

    2014-10-30

    Reactions between small cerium oxide cluster anions and deuterated water were monitored as a function of both water concentration and temperature in order to determine the temperature dependence of the rate constants. Sequential oxidation reactions of the Ce(x)O(y)⁻ (x = 2, 3) suboxide cluster anions were found to exhibit anti-Arrhenius behavior, with activation energies ranging from 0 to -18 kJ mol⁻¹. Direct oxidation of species up to y = x was observed, after which, -OD abstraction and D₂O addition reactions were observed. However, the stoichiometric Ce₂O₄⁻ and Ce₃O₆⁻ cluster anions also emerge in reactions between D₂O and the respective precursors, Ce₂O₃D⁻ and Ce₃O₅D₂⁻. Ce₂O₄⁻ and Ce₃O₆⁻ product intensities diminish relative to deuteroxide complex intensities with increasing temperature. The kinetics of these reactions are compared to the kinetics of the previously studied Mo(x)O(y)⁻ and W(x)O(y)⁻ reactions with water, and the possible implications for the reaction mechanisms are discussed.

  20. Common Cold

    MedlinePlus

    ... nose, coughing - everyone knows the symptoms of the common cold. It is probably the most common illness. In ... avoid colds. There is no cure for the common cold. For relief, try Getting plenty of rest Drinking ...

  1. The mechanism of emerging catalytic activity of gold nano-clusters on rutile TiO2(110) in CO oxidation reaction

    NASA Astrophysics Data System (ADS)

    Mitsuhara, K.; Tagami, M.; Matsuda, T.; Visikovskiy, A.; Takizawa, M.; Kido, Y.

    2012-03-01

    This paper reveals the fact that the O adatoms (Oad) adsorbed on the 5-fold Ti rows of rutile TiO2(110) react with CO to form CO2 at room temperature and the oxidation reaction is pronouncedly enhanced by Au nano-clusters deposited on the above O-rich TiO2(110) surfaces. The optimum activity is obtained for 2D clusters with a lateral size of ˜1.5 nm and two-atomic layer height corresponding to ˜50 Au atoms/cluster. This strong activity emerging is attributed to an electronic charge transfer from Au clusters to O-rich TiO2(110) supports observed clearly by work function measurement, which results in an interface dipole. The interface dipoles lower the potential barrier for dissociative O2 adsorption on the surface and also enhance the reaction of CO with the Oad atoms to form CO2 owing to the electric field of the interface dipoles, which generate an attractive force upon polar CO molecules and thus prolong the duration time on the Au nano-clusters. This electric field is screened by the valence electrons of Au clusters except near the perimeter interfaces, thereby the activity is diminished for three-dimensional clusters with a larger size.

  2. The mechanism of emerging catalytic activity of gold nano-clusters on rutile TiO{sub 2}(110) in CO oxidation reaction

    SciTech Connect

    Mitsuhara, K.; Tagami, M.; Matsuda, T.; Visikovskiy, A.; Kido, Y.; Takizawa, M.

    2012-03-28

    This paper reveals the fact that the O adatoms (O{sub ad}) adsorbed on the 5-fold Ti rows of rutile TiO{sub 2}(110) react with CO to form CO{sub 2} at room temperature and the oxidation reaction is pronouncedly enhanced by Au nano-clusters deposited on the above O-rich TiO{sub 2}(110) surfaces. The optimum activity is obtained for 2D clusters with a lateral size of {approx}1.5 nm and two-atomic layer height corresponding to {approx}50 Au atoms/cluster. This strong activity emerging is attributed to an electronic charge transfer from Au clusters to O-rich TiO{sub 2}(110) supports observed clearly by work function measurement, which results in an interface dipole. The interface dipoles lower the potential barrier for dissociative O{sub 2} adsorption on the surface and also enhance the reaction of CO with the O{sub ad} atoms to form CO{sub 2} owing to the electric field of the interface dipoles, which generate an attractive force upon polar CO molecules and thus prolong the duration time on the Au nano-clusters. This electric field is screened by the valence electrons of Au clusters except near the perimeter interfaces, thereby the activity is diminished for three-dimensional clusters with a larger size.

  3. The mechanism of emerging catalytic activity of gold nano-clusters on rutile TiO2(110) in CO oxidation reaction.

    PubMed

    Mitsuhara, K; Tagami, M; Matsuda, T; Visikovskiy, A; Takizawa, M; Kido, Y

    2012-03-28

    This paper reveals the fact that the O adatoms (O(ad)) adsorbed on the 5-fold Ti rows of rutile TiO(2)(110) react with CO to form CO(2) at room temperature and the oxidation reaction is pronouncedly enhanced by Au nano-clusters deposited on the above O-rich TiO(2)(110) surfaces. The optimum activity is obtained for 2D clusters with a lateral size of ∼1.5 nm and two-atomic layer height corresponding to ∼50 Au atoms∕cluster. This strong activity emerging is attributed to an electronic charge transfer from Au clusters to O-rich TiO(2)(110) supports observed clearly by work function measurement, which results in an interface dipole. The interface dipoles lower the potential barrier for dissociative O(2) adsorption on the surface and also enhance the reaction of CO with the O(ad) atoms to form CO(2) owing to the electric field of the interface dipoles, which generate an attractive force upon polar CO molecules and thus prolong the duration time on the Au nano-clusters. This electric field is screened by the valence electrons of Au clusters except near the perimeter interfaces, thereby the activity is diminished for three-dimensional clusters with a larger size.

  4. Incorporating a completely renormalized coupled cluster approach into a composite method for thermodynamic properties and reaction paths

    NASA Astrophysics Data System (ADS)

    Nedd, Sean A.; DeYonker, Nathan J.; Wilson, Angela K.; Piecuch, Piotr; Gordon, Mark S.

    2012-04-01

    The correlation consistent composite approach (ccCA), using the S4 complete basis set two-point extrapolation scheme (ccCA-S4), has been modified to incorporate the left-eigenstate completely renormalized coupled cluster method, including singles, doubles, and non-iterative triples (CR-CC(2,3)) as the highest level component. The new ccCA-CC(2,3) method predicts thermodynamic properties with an accuracy that is similar to that of the original ccCA-S4 method. At the same time, the inclusion of the single-reference CR-CC(2,3) approach provides a ccCA scheme that can correctly treat reaction pathways that contain certain classes of multi-reference species such as diradicals, which would normally need to be treated by more computationally demanding multi-reference methods. The new ccCA-CC(2,3) method produces a mean absolute deviation of 1.7 kcal/mol for predicted heats of formation at 298 K, based on calibration with the G2/97 set of 148 molecules, which is comparable to that of 1.0 kcal/mol obtained using the ccCA-S4 method, while significantly improving the performance of the ccCA-S4 approach in calculations involving more demanding radical and diradical species. Both the ccCA-CC(2,3) and ccCA-S4 composite methods are used to characterize the conrotatory and disrotatory isomerization pathways of bicyclo[1.1.0]butane to trans-1,3-butadiene, for which conventional coupled cluster methods, such as the CCSD(T) approach used in the ccCA-S4 model and, in consequence, the ccCA-S4 method itself might fail by incorrectly placing the disrotatory pathway below the conrotatory one. The ccCA-CC(2,3) scheme provides correct pathway ordering while providing an accurate description of the activation and reaction energies characterizing the lowest-energy conrotatory pathway. The ccCA-CC(2,3) method is thus a viable method for the analyses of reaction mechanisms that have significant multi-reference character, and presents a generally less computationally intensive alternative to

  5. Comproportionation reactions to manganese(III/IV) pivalate clusters: a new half-integer spin single-molecule magnet.

    PubMed

    Mukherjee, Shreya; Abboud, Khalil A; Wernsdorfer, Wolfgang; Christou, George

    2013-01-18

    The comproportionation reaction between Mn(II) and Mn(VII) reagents under acidic conditions has been investigated in the presence of pivalic acid as a route to new high oxidation state manganese pivalate clusters containing some Mn(IV). The reaction of Mn(O(2)CBu(t))(2) and NBu(n)(4)MnO(4) with an excess of pivalic acid in the presence of Mn(ClO(4))(2) and NBu(n)(4)Cl in hot MeCN led to the isolation of [Mn(8)O(6)(OH)(O(2)CBu(t))(9)Cl(3)(Bu(t)CO(2)H)(0.5)(MeCN)(0.5)] (1). In contrast, the reaction of Mn(NO(3))(2) and NBu(n)(4)MnO(4) in hot MeCN with an excess of pivalic acid gave a different octanuclear complex, [Mn(8)O(9)(O(2)CBu(t))(12)] (2). The latter reaction but with Mn(O(2)CBu(t))(2) in place of Mn(NO(3))(2), and in a MeCN/THF solvent medium, gave [Mn(9)O(7)(O(2)CBu(t))(13)(THF)(2)] (3). Complexes 1-3 possess rare or unprecedented Mn(x) topologies: 1 possesses a [Mn(III)(7)Mn(IV)(μ(3)-O)(4)(μ(4)-O)(2)(μ(3)-OH)(μ(4)-Cl)(μ(2)-Cl)](8+) core consisting of two body-fused Mn(4) butterfly units attached to the remaining Mn atoms via bridging O(2-), OH(-), and Cl(-) ions. In contrast, 2 possesses a [Mn(6)(IV)Mn(2)(III)(μ(3)-O)(6)(μ-O)(3)](12+) core consisting of two [Mn(3)O(4)] incomplete cubanes linked by their O(2-) ions to two Mn(III) atoms. The cores of 1 and 2 are unprecedented in Mn chemistry. The [Mn(III)(9)(μ(3)-O)(7)](13+) core of 3 also contains two body-fused Mn(4) butterfly units, but they are linked to the remaining Mn atoms in a different manner than in 1. Solid-state direct current (dc) and/or alternating current (ac) magnetic susceptibility data established S = (15)/(2), S = 2, and S = 1 ground states for 1·MeCN, 2·(1)/(4)MeCN, and 3, respectively. The ac susceptibility data also revealed nonzero, frequency-dependent out-of-phase (χ″(M)) signals for 1·MeCN at temperatures below 3 K, suggesting possible single-molecule magnet behavior, which was confirmed by single-crystal magnetization vs dc field scans that exhibited hysteresis loops

  6. Tuning the selectivity of Gd3N cluster endohedral metallofullerene reactions with Lewis acids.

    PubMed

    Stevenson, Steven; Rottinger, Khristina A; Fahim, Muska; Field, Jessica S; Martin, Benjamin R; Arvola, Kristine D

    2014-12-15

    We demonstrate the manipulation of the Lewis acid strength to selectively fractionate different types of Gd3N metallofullerenes that are present in complex mixtures. Carbon disulfide is used for all Lewis acid studies. CaCl2 exhibits the lowest reactivity but the highest selectivity by precipitating only those gadolinium metallofullerenes with the lowest first oxidation potentials. ZnCl2 selectively complexes Gd3N@C88 during the first 4 h of reaction. Reaction with ZnCl2 for an additional 7 days permits a selective precipitation of Gd3N@C84 as the dominant endohedral isolated. A third fraction is the filtrate, which possesses Gd3N@C86 and Gd3N@C80 as the two dominant metallofullerenes. The order of increasing reactivity and decreasing selectivity (left to right) is as follows: CaCl2 < ZnCl2 < NiCl2 < MgCl2 < MnCl2 < CuCl2 < WCl4 ≪ WCl6 < ZrCl4 < AlCl3 < FeCl3. As a group, CaCl2, ZnCl2, and NiCl2 are the weakest Lewis acids and have the highest selectivity because of their very low precipitation onsets, which are below +0.19 V (i.e., endohedrals with first oxidation potentials below +0.19 V are precipitated). For CaCl2, the precipitation threshold is estimated at a remarkably low value of +0.06 V. Because most endohedrals possess first oxidation potentials significantly higher than +0.06 V, CaCl2 is especially useful in its ability to precipitate only a select group of gadolinium metallofullerenes. The Lewis acids of intermediate reactivity (i.e., precipitation onsets estimated between +0.19 and +0.4 V) are MgCl2, MnCl2, CuCl2, and WCl4. The strongest Lewis acids (WCl6, ZrCl4, AlCl3, and FeCl3) are the least selective and tend to precipitate the entire family of gadolinium metallofullerenes. Tuning the Lewis acid for a specific type of endohedral should be useful in a nonchromatographic purification method. The ability to control which metallofullerenes are permitted to precipitate and which endohedrals would remain in solution is a key outcome of this work.

  7. Structural water cluster as a possible proton acceptor in the adduct decay reaction of oat phototropin 1 LOV2 domain.

    PubMed

    Chan, Ruby H; Bogomolni, Roberto A

    2012-09-06

    LOV domains (Light, Oxygen, Voltage) are the light-sensory modules of phototropins, the blue-light photoreceptor kinases in plants, and of a wide variety of flavoproteins found in all three domains of life. These 12 kDa modules bind a flavin chromophore (FMN or FAD) noncovalently and undergo a photochemical activation in which the sulfur atom of a conserved cysteine forms an adduct to the C(4a) carbon of the flavin. The adduct breaks spontaneously in a base-catalyzed reaction involving a rate-limiting proton-transfer step, regenerating the dark state in seconds. This photocycle involves chromophore and protein structural changes that activate the C-terminal serine/threonine kinase. Previous studies (Biochemistry 2007, 46, 7016-7021) showed that decreased hydration obtained at high glycerol concentrations stabilizes the adduct state in a manner similar to that attained at low temperatures, resulting in much longer adduct decay times. This kinetic effect was attributed to an increased protein rigidity that hindered structural fluctuations necessary for the decay reaction. In this work, we studied the adduct decay kinetics of oat phototropin 1 (phot1) LOV2 at varying hydration using a specially designed chamber that allowed for measurement of UV-visible and FTIR spectra of the same samples. Therefore, we obtained LOV protein concentrations, adduct decay kinetics, and the different populations of bound water by deconvolution of the broad water absorption peak around 3500 cm(-1). A linear dependence of the adduct decay rate constant on the concentration of double and triple hydrogen-bonded waters strongly suggests that the adduct decay is a pseudo-first-order reaction in which both the adduct and the strongly bound waters are reactants. We suggest that a cluster of strongly bound water functions as the proton acceptor in the rate-limiting step of adduct decay.

  8. Stereochemical course of hydrolytic reaction catalyzed by alpha-galactosidase from cold adaptable marine bacterium of genus Pseudoalteromonas

    NASA Astrophysics Data System (ADS)

    Bakunina, Irina; Balabanova, Larissa; Golotin, Vasiliy; Slepchenko, Lyubov; Isakov, Vladimir; Rasskazov, Valeriy

    2014-10-01

    The recombinant α-galactosidase of the marine bacterium (α-PsGal) was synthesized with the use of the plasmid 40Gal, consisting of plasmid pET-40b (+) (Novagen) and the gene corresponding to the open reading frame of the mature α-galactosidase of marine bacterium Pseudoalteromonas sp. KMM 701, transformed into the E. coli Rosetta(DE3) cells. In order to understand the mechanism of action, the stereochemistry of hydrolysis of 4-nitrophenyl α-D-galactopyranoside (4-NPGP) by α-PsGal was measured by 1H NMR spectroscopy. The kinetics of formation of α- and β-anomer of galactose showed that α-anomer initially formed and accumulated, and then an appreciable amount of β-anomer appeared as a result of mutarotation. The data clearly show that the enzymatic hydrolysis of 4-NPGP proceeds with the retention of anomeric configuration, probably, due to a double displacement mechanism of reaction.

  9. Cluster Composition Distributions of Pure Ethanol: Influence of Water and Ion–Molecule Reactions Revealed by Liquid-Ionization Tandem Mass Spectrometry

    PubMed Central

    Tsuchiya, Masahiko; Fukaya, Haruhiko; Shida, Yasuo

    2013-01-01

    Studies of clusters in condensed phase at atmospheric pressure are very important for understanding the properties and structures of liquids. Liquid-ionization (LPI) mass spectrometry is useful to study hydrogen-bonded clusters at the liquid surface and in a gas phase. An improved ion source connected to a tandem mass spectrometer provides detailed information about clusters. Mass spectra of pure ethanol (99.5%) observed by the first mass analyzer (Q1) showed neat ethanol cluster ions (C2H5OH)mH+ with m up to 10 and hydrate ions (C2H5OH)m(H2O)nH+ with m larger than 7 and n=1, such as those with m-n=8-1 and 9-1. When the flow rate of ethanol (liquid) was increased, large ethanol cluster ions with m larger than 25 were observed by the second mass analyzer (Q3). It is interesting to note that neat ethanol cluster ions are more abundant than corresponding (with the same m) hydrate ions (n=1), and major hydrate ions contain only one molecule of water. Results indicate that ion–molecule reactions occur between Q1 and Q3, because such mass spectra have never been observed by Q1. Various results indicate that neat ethanol clusters exist at the liquid surface and are ionized to give cluster ions. PMID:24349916

  10. Study of the yield of D-D, D-3He fusion reactions produced by the interaction of intense ultrafast laser pulses with molecular clusters

    NASA Astrophysics Data System (ADS)

    Barbui, Marina; Bang, Woosuk; Bonasera, Aldo; Hagel, Kris; Schmidt, Katarzyna; Natowitz, Joseph; Giuliani, Gianluca; Barbarino, Matteo; Dyer, Gilliss; Quevedo, Hernan; Gaul, Erhard; Borger, Ted; Bernstein, Aaron; Martinez, Mikael; Donovan, Michael; Ditmire, Todd; Kimura, Sachie; Mazzocco, Marco; Consoli, Fabrizio; De Angelis, Riccardo; Andreoli, Pierluigi

    2013-03-01

    The interaction of intense ultrafast laser pulses with molecular clusters produces a Coulomb explosion of the clusters. In this process, the positive ions from the clusters might gain enough kinetic energy to drive nuclear reactions. An experiment to measure the yield of D-D and D-3He fusion reactions was performed at University of Texas Center for High Intensity Laser Science. Laser pulses of energy ranging from 100 to 180 J and duration 150fs were delivered by the Petawatt laser. The temperature of the energetic deuterium ions was measured using a Faraday cup, whereas the yields of the D-D reactions were measured by detecting the characteristic 2.45 MeV neutrons and 3.02 MeV protons. In order to allow the simultaneous measurement of 3He(D,p)4He and D-D reactions, different concentrations of D2 and 3He or CD4 and 3He were mixed in the gas jet target. The 2.45 MeV neutrons from the D(D,n)3He reaction were detecteded as well as the 14.7 MeV protons from the 3He(D,p)4He reaction. The preliminary results will be shown.

  11. The reaction rates of O2 with closed-shell and open-shell Al(x)⁻ and Ga(x)⁻ clusters under single-collision conditions: experimental and theoretical investigations toward a generally valid model for the hindered reactions of O2 with metal atom clusters.

    PubMed

    Neumaier, Marco; Olzmann, Matthias; Kiran, Boggavarapu; Bowen, Kit H; Eichhorn, Bryan; Stokes, Sarah T; Buonaugurio, Angela; Burgert, Ralf; Schnöckel, Hansgeorg

    2014-03-05

    In order to characterize the oxidation of metallic surfaces, the reactions of O2 with a number of Al(x)(-) and, for the first time, Ga(x)(-) clusters as molecular models have been investigated, and the results are presented here for x = 9-14. The rate coefficients were determined with FT-ICR mass spectrometry under single-collision conditions at O2 pressures of ~10(-8) mbar. In this way, the qualitatively known differences in the reactivities of the even- and odd-numbered clusters toward O2 could be quantified experimentally. To obtain information about the elementary steps, we additionally performed density functional theory calculations. The results show that for both even- and odd-numbered clusters the formation of the most stable dioxide species, [M(x)O2](-), proceeds via the less stable peroxo species, [M(x)(+)···O2(2-)](-), which contains M-O-O-M moieties. We conclude that the formation of these peroxo intermediates may be a reason for the decreased reactivity of the metal clusters toward O2. This could be one of the main reasons why O2 reactions with metal surfaces proceed more slowly than Cl2 reactions with such surfaces, even though O2 reactions with both Al metal and Al clusters are more exothermic than are reactions of Cl2 with them. Furthermore, our results indicate that the spin-forbidden reactions of (3)O2 with closed-shell clusters and the spin-allowed reactions with open-shell clusters to give singlet [M(x)(+)···O2(2-)](-) are the root cause for the observed even/odd differences in reactivity.

  12. [Cold-induced urticaria].

    PubMed

    Delorme, N; Drouet, M; Thibaudeau, A; Verret, J L

    2002-09-01

    Cold urticaria is characterized by the development of urticaria, usually superficial and/or angioedematous reaction after cold contact. It was found predominantly in young women. The diagnosis is based on the history and ice cube test. Patients with a negative ice cube test may have represented systemic cold urticaria (atypical acquired cold urticaria) induced by general body cooling. The pathogenesis is poorly understood. Cold urticaria can be classified into acquired and familial disorders, with an autosomal dominant inheritance. Idiopathic cold urticaria is most common type but the research of a cryopathy is necessary. Therapy is often difficult. It is essential that the patient be warned of the dangers of swimming in cold water because systemic hypotension can occur. H1 antihistamines can be used for treatment of cold urticaria but the clinical responses are highly variable. The combination with an H2 antagonists is more effective. Doxepin may be useful in the treatment. Leukotriene receptor antagonists may be a novel, promising drug entity. In patients who do not respond to previous treatments, induction of cold tolerance may be tried.

  13. Compound nucleus formation probability PCN determined within the dynamical cluster-decay model for various "hot" fusion reactions

    NASA Astrophysics Data System (ADS)

    Kaur, Arshdeep; Chopra, Sahila; Gupta, Raj K.

    2014-08-01

    The compound nucleus (CN) fusion/formation probability PCN is defined and its detailed variations with the CN excitation energy E*, center-of-mass energy Ec .m., fissility parameter χ, CN mass number ACN, and Coulomb interaction parameter Z1Z2 are studied for the first time within the dynamical cluster-decay model (DCM). The model is a nonstatistical description of the decay of a CN to all possible processes. The (total) fusion cross section σfusion is the sum of the CN and noncompound nucleus (nCN) decay cross sections, each calculated as the dynamical fragmentation process. The CN cross section σCN is constituted of evaporation residues and fusion-fission, including intermediate-mass fragments, each calculated for all contributing decay fragments (A1, A2) in terms of their formation and barrier penetration probabilities P0 and P. The nCN cross section σnCN is determined as the quasi-fission (qf) process, where P0=1 and P is calculated for the entrance-channel nuclei. The DCM, with effects of deformations and orientations of nuclei included in it, is used to study the PCN for about a dozen "hot" fusion reactions forming a CN of mass number A ˜100 to superheavy nuclei and for various different nuclear interaction potentials. Interesting results are that PCN=1 for complete fusion, but PCN<1 or PCN≪1 due to the nCN contribution, depending strongly on different parameters of the entrance-channel reaction but found to be independent of the nuclear interaction potentials used.

  14. Gas-Phase Reactions of Cationic Vanadium-Phosphorus Oxide Clusters with C2Hx (x=4, 6): A DFT-Based Analysis of Reactivity Patterns

    PubMed Central

    Dietl, Nicolas; Zhang, Xinhao; van der Linde, Christian; Beyer, Martin K; Schlangen, Maria; Schwarz, Helmut

    2013-01-01

    The reactivities of the adamantane-like heteronuclear vanadium-phosphorus oxygen cluster ions [VxP4−xO10].+ (x=0, 2–4) towards hydrocarbons strongly depend on the V/P ratio of the clusters. Possible mechanisms for the gas-phase reactions of these heteronuclear cations with ethene and ethane have been elucidated by means of DFT-based calculations; homolytic C–H bond activation constitutes the initial step, and for all systems the P–O. unit of the clusters serves as the reactive site. More complex oxidation processes, such as oxygen-atom transfer to, or oxidative dehydrogenation of the hydrocarbons require the presence of a vanadium atom to provide the electronic prerequisites which are necessary to bring about the 2e− reduction of the cationic clusters. PMID:23322620

  15. Experimental and theoretical study of the reactions between MO2- (M = Fe, Co, Ni, Cu, and Zn) cluster anions and hydrogen sulfide.

    PubMed

    Jia, Mei-Ye; Ding, Xun-Lei; He, Sheng-Gui; Ge, Mao-Fa

    2013-09-05

    Transition metal oxide cluster anions M(m)(18)O(n)(-) (M = Fe, Co, Ni, Cu, and Zn) were prepared by laser ablation and reacted with H2S in a fast flow reactor under thermal collision conditions. A time-of-flight mass spectrometer was used to detect the cluster distributions before and after the interactions with H2S. The experiments reveal a suite of oxygen/sulfur (O/S) exchange and oxygen/sulfydryl (O/SH) exchange reactions. The O/S exchange reaction to release water was evidenced for all of the MO2(-) cluster anions: MO2(-) + H2S → MOS(-) + H2O, whereas the O/SH exchange reaction to derive MOSH(-) and OH species was only observed for reactions of NiO2(-), CuO2(-), and ZnO2(-). Density functional theory calculations were performed for reaction mechanisms of MO2(-) + H2S (M = Fe, Co, Ni, Cu, and Zn). The computational results are generally in good agreement with the experimental results. This gas-phase study provides an insight into the metal dependent reactivity in the removal of H2S over metal oxides.

  16. p-capture reaction cycles in rotating massive stars and their impact on elemental abundances in globular cluster stars: A case study of O, Na and Al

    NASA Astrophysics Data System (ADS)

    Mahanta, Upakul; Goswami, Aruna; Duorah, Hiralal; Duorah, Kalpana

    2017-08-01

    Elemental abundance patterns of globular cluster stars can provide important clues for understanding cluster formation and early chemical evolution. The origin of the abundance patterns, however, still remains poorly understood. We have studied the impact of p-capture reaction cycles on the abundances of oxygen, sodium and aluminium considering nuclear reaction cycles of carbon-nitrogen-oxygen-fluorine, neon-sodium and magnesium-aluminium in massive stars in stellar conditions of temperature range 2×107 to 10×107 K and typical density of 102 gm cc-1. We have estimated abundances of oxygen, sodium and aluminium with respect to Fe, which are then assumed to be ejected from those stars because of rotation reaching a critical limit. These ejected abundances of elements are then compared with their counterparts that have been observed in some metal-poor evolved stars, mainly giants and red giants, of globular clusters M3, M4, M13 and NGC 6752. We observe an excellent agreement with [O/Fe] between the estimated and observed abundance values for globular clusters M3 and M4 with a correlation coefficient above 0.9 and a strong linear correlation for the remaining two clusters with a correlation coefficient above 0.7. The estimated [Na/Fe] is found to have a correlation coefficient above 0.7, thus implying a strong correlation for all four globular clusters. As far as [Al/Fe] is concerned, it also shows a strong correlation between the estimated abundance and the observed abundance for globular clusters M13 and NGC 6752, since here also the correlation coefficient is above 0.7 whereas for globular cluster M4 there is a moderate correlation found with a correlation coefficient above 0.6. Possible sources of these discrepancies are discussed.

  17. Analysis of twenty five impurities in uranium matrix by ICP-MS with iron measurement optimized by using reaction collision cell, cold plasma or medium resolution.

    PubMed

    Quemet, Alexandre; Brennetot, Rene; Chevalier, Emilie; Prian, Edwina; Laridon, Anne-Laure; Mariet, Clarisse; Fichet, Pascal; Laszak, Ivan; Goutelard, Florence

    2012-09-15

    An analytical procedure was developed to determine the concentration of 25 impurities (Li, Be, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Zr, Mo, Ag, Cd, In, Sm, Eu, Gd, Dy, W, Pb, Bi and Th) in a uranium matrix using the quadrupole inductively coupled plasma mass spectrometry (Q-ICP-MS). The dissolution of U(3)O(8) powder was made with a mixture of hydrochloric acid and nitric acid. Then, a selective separation of uranium using the UTEVA column was used before measurement by Q-ICP-MS. The procedure developed was verified using the Certified Reference Material "Morille". The analytical results agree well except for 5 elements where values are underestimated (Li, Be, In, Pb and Bi). Among the list of impurities, iron was particularly investigated because it is well known that this element possesses a polyatomic interference that increases the detection limit. A comparison between iron detection limits obtained with different methods was performed. Iron polyatomic interference was at least reduced, or at best entirely resolved in some cases, by using the cold plasma or the collision/reaction cell with several gases (He, NH(3) and CH(4)). High-resolution ICP-MS was used to compare the results obtained. A detection limit as low as 8 ng L(-1) was achieved. Copyright © 2012 Elsevier B.V. All rights reserved.

  18. Photoionization studies of Na/sub 2/Cl and Na/sub 2/O and reactions of metal clusters

    SciTech Connect

    Peterson, K.I.; Dao, P.D.; Castleman, A.W. Jr.

    1983-07-15

    Reaction between metal clusters and various reactant gases in a coexpanding nozzle led to the formation of Na/sub 2/Cl and Na/sub 2/O. These species were subjected to photoionization using a UV light source, monochromator, and mass spectrometer detection system. Appearance potentials of 95.7 and 116.7 kcal/mol were obtained for Na/sub 2/Cl and Na/sub 2/O, respectively. The appearance potential of the Na/sub 2/Cl lies between the ionization potential of the metal and the electron affinity of chlorine, while that of Na/sub 2/O is close to the ionization potential of the metal. Using these values and other literature data, energies were derived for the following bonds: Na--NaCl (19.7 kcal/mol), Na/sup +//sub 2/xCl (115.5), Na/sub 2/xCl (98.9), and Na/sup +//sub 2/xCl/sup -/ (127.8); Na/sup +/xNaO (56.8), Na/sup +//sub 2/xO (94.2), Na/sub 2/xO (98.6), and Na/sup +//sub 2/xO/sup -/ (177.2).

  19. Preliminary Comparison of Reaction Rate theory and Object Kinetic Monte Carlo Simulations of Defect Cluster Dynamics under Irradiation

    SciTech Connect

    Stoller, Roger E; Golubov, Stanislav I; Becquart, C. S.; Domain, C.

    2006-09-01

    The multiscale modeling scheme encompasses models from the atomistic to the continuum scale. Phenomena at the mesoscale are typically simulated using reaction rate theory (RT), Monte Carlo (MC), or phase field models. These mesoscale models are appropriate for application to problems that involve intermediate length scales ( m to >mm), and timescales from diffusion (~ s) to long-term microstructural evolution (~years). Phenomena at this scale have the most direct impact on mechanical properties in structural materials of interest to nuclear energy systems, and are also the most accessible to direct comparison between the results of simulations and experiments. Recent advances in computational power have substantially expanded the range of application for MC models. Although the RT and MC models can be used simulate the same phenomena, many of the details are handled quite differently in the two approaches. A direct comparison of the RT and MC descriptions has been made in the domain of point defect cluster dynamics modeling, which is relevant to both the nucleation and evolution of radiation-induced defect structures. The relative merits and limitations of the two approaches are discussed, and the predictions of the two approaches are compared for specific irradiation conditions.

  20. The Aftermath of a Suicide Cluster in the Age of Online Social Networking: A Qualitative Analysis of Adolescent Grief Reactions

    ERIC Educational Resources Information Center

    Heffel, Carly J.; Riggs, Shelley A.; Ruiz, John M.; Ruggles, Mark

    2015-01-01

    Although suicide clusters have been identified in many populations, research exploring the role of online communication in the aftermath of a suicide cluster is extremely limited. This study used the Consensual Qualitative Research method to analyze interviews with ten high school students 1 year after a suicide cluster in a small suburban school…

  1. The Aftermath of a Suicide Cluster in the Age of Online Social Networking: A Qualitative Analysis of Adolescent Grief Reactions

    ERIC Educational Resources Information Center

    Heffel, Carly J.; Riggs, Shelley A.; Ruiz, John M.; Ruggles, Mark

    2015-01-01

    Although suicide clusters have been identified in many populations, research exploring the role of online communication in the aftermath of a suicide cluster is extremely limited. This study used the Consensual Qualitative Research method to analyze interviews with ten high school students 1 year after a suicide cluster in a small suburban school…

  2. Structure Determination and Excited State Proton Transfer Reaction of 1-NAPHTHOL-AMMONIA Clusters in the S_{1} State Studied by Uv-Ir Mid-Ir Spectroscopy

    NASA Astrophysics Data System (ADS)

    Yoshikawa, Shunpei; Miyazaki, Mitsuhiko; Martin, Weiler; Ishikawa, Haruki; Fujii, Masaaki

    2013-06-01

    1-naphthol ammonia clusters have been studied long time as a benchmark system of the excited state proton transfer (ESPT) reactions. Understanding the ESPT reaction in this system has still not been fully established. To detect the cluster size dependence of the S_{1} state properties, many researcher extensively investigated such as emission spectra, lifetime, solvents (ammonia) evaporation pattern. Curiously, cluster structure that is fundamental to discuss the reaction has not been determined for the system. Thus we applied an IR spectroscopy to the S_{1} states of the system to determine the cluster structure and to discuss the minimum size inducing the ionic dissociation of the O-H bond in the S_{1} state. IR spectra were recorded not only the O-H and N-H stretching region (3 {μ}m) but also the skeletal vibrational region (5.5-10 {μ}m). Though O-H and N-H stretching vibrations do not provide useful structural information due to the broadness, the skeletal vibrations hold the sharpness even in the S_{1} states. Changes in the skeletal vibrations due to the ammonia solvation, e.g. C-O stretching and C-O-H bending, will be discussed based on a comparison with theoretical calculations. O. Cheshnovsky and S. Leutwylar, J. Chem. Phys. 1, 4127 (1988). S. K. Kim et al., Chem. Phys. lett. 228, 369 (1994). C. Dedonder-Lardeux et al., Phys. Chem, Chem, Phys. 3, 4316 (2001).

  3. Common cold

    MedlinePlus

    ... this page: //medlineplus.gov/ency/article/000678.htm Common cold To use the sharing features on this page, please enable JavaScript. The common cold most often causes a runny nose, nasal congestion, ...

  4. Workshop- and telephone-based interventions to improve adverse drug reaction reporting: a cluster-randomized trial in Portugal.

    PubMed

    Herdeiro, Maria Teresa; Ribeiro-Vaz, Inês; Ferreira, Mónica; Polónia, Jorge; Falcão, Amílcar; Figueiras, Adolfo

    2012-08-01

    Spontaneous reporting of adverse drug reactions (ADRs) is the method most widely used by pharmacovigilance systems, with the principal limitation being the physician's underreporting. This study sought to evaluate the results of workshop and telephone-interview interventions designed to improve the quantity and relevance of ADR reporting by physicians. A cluster-randomized controlled trial was conducted on 6579 physicians in northern Portugal in 2008. Following randomization, we allocated 1034 physicians to a telephone-interview intervention, 438 to a workshop intervention and the remaining 5107 to the control group. At the workshop, a real clinical case was presented and participants were then asked to report on it by completing the relevant form. In the telephone intervention, participants were asked (i) whether they had ever had any suspicion of ADRs; (ii) whether they had experienced any difficulties in reporting; (iii) whether they remembered the different methods that could be used for reporting purposes; and (iv) whether they attached importance to the individual physician's role in reporting. We followed up physicians to assess ADR reporting rates to the Northern Pharmacovigilance Centre. In terms of relevance, adverse reactions were classified as serious or unexpected. Statistical analysis was performed on an intention-to-treat basis, and generalized linear mixed models were applied using the penalized quasi-likelihood method. The physicians studied were followed up over a period of 20 months. Two hundred physicians underwent the educational intervention. Comparison with the control group showed that the workshop intervention increased the spontaneous ADR reporting rate by an average of 4-fold (relative risk [RR] 3.97; 95% CI 3.86, 4.08; p < 0.001) across the 20 months post-intervention. Telephone interviews, in contrast, proved less efficient since they led to no significant difference (p = 0.052) vis-à-vis the control group in ADR reporting (RR 1.02; 95

  5. Helium Find Thaws the Cold Fusion Trail.

    ERIC Educational Resources Information Center

    Pennisi, E.

    1991-01-01

    Reported is a study of cold fusion in which trace amounts of helium, possible evidence of an actual fusion reaction, were found. Research methodology is detailed. The controversy over the validity of experimental results with cold fusion are reviewed. (CW)

  6. Helium Find Thaws the Cold Fusion Trail.

    ERIC Educational Resources Information Center

    Pennisi, E.

    1991-01-01

    Reported is a study of cold fusion in which trace amounts of helium, possible evidence of an actual fusion reaction, were found. Research methodology is detailed. The controversy over the validity of experimental results with cold fusion are reviewed. (CW)

  7. Cold Sore

    MedlinePlus

    ... genitals. Most people who are infected with the virus that causes cold sores never develop signs and symptoms. Cold sores ... an infection — test positive for evidence of the virus that causes cold sores. People who have weakened immune systems are ...

  8. Assembly and disassembly of the photosystem II manganese cluster reversibly alters the coupling of the reaction center with the light-harvesting phycobilisome.

    PubMed

    Hwang, Hong Jin; Nagarajan, Aparna; McLain, Aaron; Burnap, Robert L

    2008-09-16

    The light-driven oxidative assembly of Mn (2+) ions into the H 2O oxidation complex (WOC) of the photosystem II (PSII) reaction center is termed photoactivation. The fluorescence yield characteristics of Synechocystis sp. PCC6803 cells undergoing photoactivation showed that basal fluorescence, F 0, exhibited a characteristic decline when red, but not blue, measuring light was employed. This result was traced to a progressive increase in the coupling of the phycobilisome (PBS) to the PSII reaction center as determined by observing the changes in room temperature and 77 K fluorescence emission spectra that accompany photoactivation. The results support the hypothesis that strong energetic coupling of the PBS to the PSII reaction center depends upon the formation of an active WOC, which presumably diminishes the likelihood of photodamage to reaction centers that have either lost an intact Mn cluster or are in the process of assembling an active WOC.

  9. Does the MgO(100)-support facilitate the reaction of nitrogen and hydrogen molecules catalyzed by Zr2Pd2 clusters? A computational study.

    PubMed

    Kuznetsov, Aleksey E; Musaev, Djamaladdin G

    2010-03-01

    Reactions of the "naked" and MgO(100) supported Zr(2)Pd(2) cluster with nitrogen and four hydrogen molecules were studied at the density functional level using the periodic slab approach (VASP). It was shown that adsorption of the Zr(2)Pd(2) cluster on the MgO(100) surface does not change its gas-phase geometry and electronic structure significantly. In spite of this the N(2) coordination to the MgO(100)-supported Zr(2)Pd(2) cluster, I/MgO, is found to be almost 30 kcal/mol less favorable than for the "naked" one. The addition of the first H(2) molecule to the resulting II/MgO, that is, II/MgO + H(2) --> IV/MgO reaction, proceeds with a relatively small, 9.0 kcal/mol, barrier and is exothermic by 8.3 kcal/mol. The same reaction for the "naked" Zr(2)Pd(2) cluster requires a slightly larger barrier (10.1 kcal/mol) and is highly exothermic (by 23.3 kcal/mol). The interaction of the H(2) molecule with the intermediate IV/MgO (i.e., the second H(2) molecule addition to II/MgO) requires larger energy barrier, 23.3 kcal/mol vs 8.8 kcal/mol for the "naked" cluster, and is exothermic by 20.5 kcal/mol (vs 18.2 kcal/mol reported for the "naked" Zr(2)Pd(2) cluster). The addition of the H(2) molecule to VI/MgO and VI (i.e., the third H(2) molecule addition to II/MgO and II, respectively) requires similar barriers, 12.0 versus 16.8 kcal/mol, respectively, but is highly exothermic for the supported cluster compared to the "naked" one, 13.6 versus 0.1 kcal/mol. The addition of the fourth H(2) molecule occurs with almost twice larger barrier for the "naked" cluster compared to the adsorbed species, 30.7 versus 15.9 kcal/mol. Furthermore, this reaction step is endothermic (by 11.4 kcal/mol) for the gas-phase cluster but exothermic by 7.8 kcal/mol for the adsorbed cluster. Dissociation of the formed hydrazine molecule from the on-surface complex X/MgO and the "naked" complex X requires 19.1 and 26.3 kcal/mol, respectively. Thus, the Zr(2)Pd(2) adsorption on the MgO(100) surface

  10. Microscopic time-dependent description of alpha-cluster transfer and incomplete fusion in reactions with 12C and 16O near Coulomb barrier

    NASA Astrophysics Data System (ADS)

    Samarin, V. V.

    2017-06-01

    The time-dependent Schrödinger equation has been numerically solved for the α-cluster wave function the in reaction 12C+51V at the energies near and above the Coulomb barrier. The α-target potential included an imaginary part as in the optical model. The α-cluster mean field of the shell model for 12C and 16O nuclei based on the results of Feynman’s integrals method is proposed. The evolution of the α-cluster probability density was calculated for the complete and incomplete fusion as well as transfer channels. The calculated cross sections show satisfactory agreement with the experimental data for (12C,α) and (12C,2α) transfer channels.

  11. {alpha}-cluster states in {sup 38}Ar observed via the {sup 34}S({sup 7}Li,t{alpha}){sup 34}S reaction

    SciTech Connect

    Fukada, M.; Ohmura, M.; Harima, F.; Ogino, K.; Takimoto, K.; Ohkubo, S.

    2005-06-01

    To study the {alpha}-cluster states in the {sup 38}Ar nucleus, angular correlation functions between t and {alpha} in the {sup 34}S({sup 7}Li, t{alpha}){sup 38}Ar reaction have been measured. Seven states at 10.2, 10.8, 11.4, 12.2, 12.7, 14.3, and 15.0 MeV were newly observed.

  12. Guided ion beam studies of the reactions of Con+ (n=1-18) with N2: Cobalt cluster mononitride and dinitride bond energies

    NASA Astrophysics Data System (ADS)

    Liu, Fuyi; Li, Ming; Tan, Lin; Armentrout, P. B.

    2008-05-01

    The reactions of Con+ (n=1-18) with N2 are measured as a function of kinetic energy over a range of 0-15eV in a guided ion beam tandem mass spectrometer. A variety of Com+, ComN+, and ComN2+ (m⩽n) product ions are observed, all in endothermic processes, with collision-induced dissociation dominating the products for all clusters. Bond dissociation energies for both cobalt cluster nitrides and dinitrides are derived from threshold analysis of the energy dependence of the endothermic reactions using several different approaches. These values show only a mild dependence on cluster size over the range studied, although the Co13+-N bond energy is relatively weak. The bond energies of Con+-N for larger clusters suggest that a reasonable value for the desorption energy of atomic nitrogen from bulk phase cobalt is 6.3±0.2eV, which is somewhat lower than the only available value in the literature, an estimate based on the enthalpy of formation of bulk cobalt nitride. The trends in the cobalt nitride thermochemistry are also compared to previously determined metal-metal bond energies, D0(Con+-Co), and to D0(Fen+-N). Implications for catalytic ammonia production using cobalt versus iron are discussed.

  13. Synthesis and Ligand-Exchange Reactions of a Tri-Tungsten Cluster with Applications in Biomedical Imaging

    ERIC Educational Resources Information Center

    Noey, Elizabeth; Curtis, Jeff C.; Tam, Sylvia; Pham, David M.; Jones, Ella F.

    2011-01-01

    In this experiment students are exposed to concepts in inorganic synthesis and various spectroscopies as applied to a tri-tungsten cluster with applications in biomedical imaging. The tungsten-acetate cluster, Na[W[superscript 3](mu-O)[subscript 2](CH[superscript 3]COO)[superscript 9

  14. Reaction of anionic and cationic silicon clusters with tungsten hexafluoride studied by fourier transform ion cyclotron resonance mass spectrometry

    NASA Astrophysics Data System (ADS)

    Reents, W. D., Jr.; Mandich, M. L.; Bondybey, V. E.

    1986-10-01

    Anionic and cationic silicon clusters react exothermically with WF 6 to give a variety of tungsten and silicon fluorides. All the silicon anionic clusters transfer their charge to WF 6. The electron affinities of Si 2-6 are estimated to be less than the electron affinity of WF 6 (350 kJ/mole (3.6 eV)).

  15. Synthesis and Ligand-Exchange Reactions of a Tri-Tungsten Cluster with Applications in Biomedical Imaging

    ERIC Educational Resources Information Center

    Noey, Elizabeth; Curtis, Jeff C.; Tam, Sylvia; Pham, David M.; Jones, Ella F.

    2011-01-01

    In this experiment students are exposed to concepts in inorganic synthesis and various spectroscopies as applied to a tri-tungsten cluster with applications in biomedical imaging. The tungsten-acetate cluster, Na[W[superscript 3](mu-O)[subscript 2](CH[superscript 3]COO)[superscript 9

  16. How Accurate Can a Local Coupled Cluster Approach Be in Computing the Activation Energies of Late-Transition-Metal-Catalyzed Reactions with Au, Pt, and Ir?

    PubMed

    Kang, Runhua; Lai, Wenzhen; Yao, Jiannian; Shaik, Sason; Chen, Hui

    2012-09-11

    To improve the accuracy of local coupled cluster (LCC) methods in computing activation energies, we propose herein a new computational scheme. Its applications to various types of late-transition-metal-catalyzed reactions involving Au, Pt, and Ir indicate that the new corrective approach for LCC methods can downsize the mean unsigned deviation and maximum deviation, from the CCSD(T)/CBS reference, to about 0.3 and 0.9 kcal/mol. Using this method, we also calibrated the performance of popular density functionals, with respect to the same test set of reactions. It is concluded that the best functional is the general-purpose double hybrid functional B2GP-PLYP. Other well-performing functionals include the "kinetic" functionals M06-2X and BMK, which have a large percentage of HF exchange, and general-purpose functionals like PBE0 and wB97X. Comparatively, general-purpose functionals like PBE0 and TPSSh perform much better than the tested "kinetic" functionals for Pt-/Ir-catalyzed reactions, while the opposite is true for Au-catalyzed reactions. In contrast, wB97X performs more uniformly in these two classes of reactions. These findings hint that even within the scope of late transition metals, different types of reactions may require different types of optimal DFT methods. Empirical dispersion correction of DFT was found to have a small or no effect on the studied reactions barriers.

  17. The cold reading technique.

    PubMed

    Dutton, D L

    1988-04-15

    For many people, belief in the paranormal derives from personal experience of face-to-face interviews with astrologers, palm readers, aura and Tarot readers, and spirit mediums. These encounters typically involve cold reading, a process in which a reader makes calculated guesses about a client's background and problems and, depending on the reaction, elaborates a reading which seems to the client so uniquely appropriate that it carries with it the illusion of having been produced by paranormal means. The cold reading process is shown to depend initially on the Barnum effect, the tendency for people to embrace generalized personality descriptions as idiosyncratically their own. Psychological research into the Barnum effect is critically reviewed, and uses of the effect by a professional magician are described. This is followed by detailed analysis of the cold reading performances of a spirit medium. Future research should investigate the degree to which cold readers may have convinced themselves that they actually possess psychic or paranormal abilities.

  18. Equilibrium and rate constants, and reaction mechanism of the HF dissociation in the HF(H2O)7 cluster by ab initio rare event simulations.

    PubMed

    Elena, Alin Marin; Meloni, Simone; Ciccotti, Giovanni

    2013-12-12

    We perform restrained hybrid Monte Carlo (MC) simulations to compute the equilibrium constant of the dissociation reaction of HF in HF(H2O)7. We find that the HF is a stronger acid in the cluster than in the bulk, and its acidity is higher at lower T. The latter phenomenon has a vibrational entropic origin, resulting from a counterintuitive balance of intra- and intermolecular terms. We find also a temperature dependence of the reactions mechanism. At low T (≤225 K) the dissociation reaction follows a concerted path, with the H atoms belonging to the relevant hydrogen bond chain moving synchronously. At higher T (300 K), the first two hydrogen atoms move together, forming an intermediate metastable state having the structure of an eigen ion (H9O4(+)), and then the third hydrogen migrates completing the reaction. We also compute the dissociation rate constant, kRP. At very low T (≤75 K) kRP depends strongly on the temperature, whereas it gets almost constant at higher T’s. With respect to the bulk, the HF dissociation in the HF(H2O)7 is about 1 order of magnitude faster. This is due to a lower free energy barrier for the dissociation in the cluster.

  19. Reaction of SO/sub 3/ with water clusters and the formation of H/sub 2/SO/sub 4/

    SciTech Connect

    Hofmann-Sievert, R.; Castleman, A.W. Jr.

    1984-07-19

    The gas-phase reaction of SO/sub 3/ with water clusters was studied by using a molecular beam reaction technique combined with an electric deflection field and mass spectrometer analyzer-detector. Electric deflection experiments gave identical results for both the products of the reaction and for H/sub 2/SO/sub 4/, from which it is concluded that the adduct (SO/sub 3/H/sub 2/O) rapidly isomerizes to sulfuric acid. This is borne out by observation of identical fragmentation patterns for the products and H/sub 2/SO/sub 4/. The results are found to be in agreement with predictions based on the RRKM theory, from which it is deduced that the maximum barrier for isomerization is about 13 kcal/mol. 27 references, 4 figures, 3 tables.

  20. Water-soluble Mo3S4 clusters bearing hydroxypropyl diphosphine ligands: synthesis, crystal structure, aqueous speciation, and kinetics of substitution reactions.

    PubMed

    Basallote, Manuel G; Fernández-Trujillo, M Jesús; Pino-Chamorro, Jose Ángel; Beltrán, Tomás F; Corao, Carolina; Llusar, Rosa; Sokolov, Maxim; Vicent, Cristian

    2012-06-18

    The [Mo(3)S(4)Cl(3)(dhprpe)(3)](+) (1(+)) cluster cation has been prepared by reaction between Mo(3)S(4)Cl(4)(PPh(3))(3) (solvent)(2) and the water-soluble 1,2-bis(bis(hydroxypropyl)phosphino)ethane (dhprpe, L) ligand. The crystal structure of [1](2)[Mo(6)Cl(14)] has been determined by X-ray diffraction methods and shows the typical incomplete cuboidal structure with a capping and three bridging sulfides. The octahedral coordination around each metal center is completed with a chlorine and two phosphorus atoms of the diphosphine ligand. Depending on the pH, the hydroxo group of the functionalized diphosphine can substitute the chloride ligands and coordinate to the cluster core to give new clusters with tridentate deprotonated dhprpe ligands of formula [Mo(3)S(4)(dhprpe-H)(3)](+) (2(+)). A detailed study based on stopped-flow, (31)P{(1)H} NMR, and electrospray ionization mass spectrometry techniques has been carried out to understand the behavior of acid-base equilibria and the kinetics of interconversion between the 1(+) and the 2(+) forms. Both conversion of 1(+) to 2(+) and its reverse process occur in a single kinetic step, so that reactions proceed at the three metal centers with statistically controlled kinetics. The values of the rate constants under different conditions are used to discuss on the mechanisms of opening and closing of the chelate rings with coordination or dissociation of chloride.

  1. Clumpy cold dark matter

    NASA Technical Reports Server (NTRS)

    Silk, Joseph; Stebbins, Albert

    1993-01-01

    A study is conducted of cold dark matter (CDM) models in which clumpiness will inhere, using cosmic strings and textures suited to galaxy formation. CDM clumps of 10 million solar mass/cu pc density are generated at about z(eq) redshift, with a sizable fraction surviving. Observable implications encompass dark matter cores in globular clusters and in galactic nuclei. Results from terrestrial dark matter detection experiments may be affected by clumpiness in the Galactic halo.

  2. Clumpy cold dark matter

    NASA Technical Reports Server (NTRS)

    Silk, Joseph; Stebbins, Albert

    1993-01-01

    A study is conducted of cold dark matter (CDM) models in which clumpiness will inhere, using cosmic strings and textures suited to galaxy formation. CDM clumps of 10 million solar mass/cu pc density are generated at about z(eq) redshift, with a sizable fraction surviving. Observable implications encompass dark matter cores in globular clusters and in galactic nuclei. Results from terrestrial dark matter detection experiments may be affected by clumpiness in the Galactic halo.

  3. Idiopathic cold urticaria and anaphylaxis.

    PubMed

    Işk, Sakine; Arkan-Ayyldz, Zeynep; Sozmen, Sule Caglayan; Karaman, Özkan; Uzuner, Nevin

    2014-01-01

    Cold urticaria (CU) is a subtype of physical urticaria characterized by the development of urticaria and angioedema after cold exposure. Symptoms typically occur minutes after skin exposure to cold air, liquids, and objects. Most common method to confirm the diagnosis of CU is through ice cube challenge test, but 20% of patients with CU have negative ice cube challenge test results. The greatest risk with this kind of urticaria is the development of systemic reaction resulting in a hemodynamic collapse during generalized cold exposure. We report a case of a patient who developed CU and anaphylaxis during swimming and diving in the sea.

  4. Si-rich W silicide films composed of W-atom-encapsulated Si clusters deposited using gas-phase reactions of WF6 with SiH4.

    PubMed

    Okada, Naoya; Uchida, Noriyuki; Kanayama, Toshihiko

    2016-02-28

    We formed Si-rich W silicide films composed of Sin clusters, each of which encapsulates a W atom (WSi(n) clusters with 8 < n ≤ ∼ 12), by using a gas-phase reaction between WF6 and SiH4 in a hot-wall reactor. The hydrogenated WSi(n)H(x) clusters with reduced F concentration were synthesized in a heated gas phase and subsequently deposited on a substrate heated to 350-420 °C, where they dehydrogenated and coalesced into the film. Under a gas pressure of SiH4 high enough for the WSi(n)H(x) reactant to collide a sufficient number of times with SiH4 molecules before reaching the substrate, the resulting film was composed of WSi(n) clusters with a uniform n, which was determined by the gas temperature. The formed films were amorphous semiconductors with an optical gap of ∼0.8-1.5 eV and an electrical mobility gap of ∼0.05-0.12 eV, both of which increased as n increased from 8 to 12. We attribute this dependence to the reduction of randomness in the Si network as n increased, which decreased the densities of band tail states and localized states.

  5. Gold atomic clusters extracting the valence electrons to shield the carbon monoxide passivation on near-monolayer core-shell nanocatalysts in methanol oxidation reactions.

    PubMed

    Chen, Tsan-Yao; Li, Hong Dao; Lee, Guo-Wei; Huang, Po-Chun; Yang, Po-Wei; Liu, Yu-Ting; Liao, Yen-Fa; Jeng, Horng-Tay; Lin, Deng-Sung; Lin, Tsang-Lang

    2015-06-21

    Atomic-scale gold clusters were intercalated at the inter-facet corner sites of Pt-shell Ru-core nanocatalysts with near-monolayer shell thickness. We demonstrated that these unique clusters could serve as a drain of valence electrons in the kink region of the core-shell heterojunction. As jointly revealed by density functional theory calculations and valence band spectra, these Au clusters extract core-level electrons to the valence band. They prevent corrosion due to protonation and enhance the tolerance of CO by increasing the electronegativity at the outermost surface of the NCs during the methanol oxidation reaction (MOR). In these circumstances, the retained current density of Pt-shell Ru-core NCs is doubled in a long-term (2 hours) MOR at a fixed voltage (0.5 V vs. SCE) by intercalating these sub-nanometer gold clusters. Such novel structural confinement provides a possible strategy for developing direct-methanol fuel cell (DMFC) modules with high power and stability.

  6. The H + HeH(+) → He + H2(+) reaction from the ultra-cold regime to the three-body breakup: exact quantum mechanical integral cross sections and rate constants.

    PubMed

    De Fazio, Dario

    2014-06-21

    In this work, we present a quantum mechanical scattering study of the title reaction from 1 mK to 2000 K. Total integral cross sections and thermal rate constants are compared with previous theoretical and experimental data and with simpler theoretical models to understand the range of validity of the approximations used in the previous studies. The obtained quantum reactive observables have been found to be nearly insensitive to the roto-vibrational energy of the reactants at high temperatures. More sensitive to the reactant's roto-vibrational energy are the data in the cold and ultra-cold regimes. The implications of the new data presented here in the early universe scenario are also discussed and analyzed.

  7. Reactions of titanium-carbon cluster cations with acetone. New evidence for the stability of the Met-Cars

    SciTech Connect

    Kerns, K.P.; Guo, B.C.; Deng, H.T.; Castleman, A.W. Jr.

    1995-04-12

    Reactivities of titanium-carbon clusters with acetone are investigated using a triple quadrupole mass spectrometer coupled with a laser vaporization source. Unlike the Met-Car Ti{sub 8}C{sub 12}{sup +}, the other titanium-carbon clusters studied here show some degree of chemical reactivity toward acetone. In addition to reacting via association channels, the carbon-poor cluster Ti{sub 8}C{sub 11}{sup +} is able to break the chemical bonds of acetone. It is also observed that the carbon-rich clusters Ti{sub 8}C{sub 13}{sup +} and Ti{sub 8}C{sub 14}{sup +} can undergo reactive loss of carbon, leading to the Ti{sub 8}C{sub 12}{sup +} species (Met-Car) upon interaction with the acetone reactant. These studies provide new insight into the reactivities of transition metal-carbon clusters and further evidence for the stability of Met-Cars. 10 refs., 3 figs.

  8. Cold injuries.

    PubMed

    Kruse, R J

    1995-01-01

    There are two categories of cold injury. The first is hypothermia, which is a systemic injury to cold, and the second is frostbite, which is a local injury. Throughout history, entire armies, from George Washington to the Germans on the Russian Front in World War II, have fallen prey to prolonged cold exposure. Cold injury is common and can occur in all seasons if ambient temperature is lower than the core body temperature. In the 1985 Boston Marathon, even though it was 76 degrees and sunny, there were 75 runners treated for hypothermia. In general, humans adapt poorly to cold exposure. Children are at particular risk because of their relatively greater surface area/body mass ratio, causing them to cool even more rapidly than adults. Because of this, the human's best defense against cold injury is to limit his/her exposure to cold and to dress appropriately. If cold injury has occurred and is mild, often simple passive rewarming such as dry blankets and a warm room are sufficient treatment.

  9. Origin of high oxygen reduction reaction activity of Pt12 and strategy to obtain better catalyst using sub-nanosized Pt-alloy clusters

    PubMed Central

    Miyazaki, Kasumi; Mori, Hirotoshi

    2017-01-01

    In the present study, methods to enhance the oxygen reduction reaction (ORR) activity of sub-nanosized Pt clusters were investigated in a theoretical manner. Using ab initio molecular dynamics and Monte Carlo simulations based on density functional theory, we have succeeded in determining the origin of the superior ORR activity of Pt12 compared to that of Pt13. That is, it was clarified that the electronic structure of Pt12 fluctuates to a greater extent compared to that of Pt13, which leads to stronger resistance against catalyst poisoning by O/OH. Based on this conclusion, a set of sub-nanosized Pt-alloy clusters was also explored to find catalysts with better ORR activities and lower financial costs. It was suggested that Ga4Pt8, Ge4Pt8, and Sn4Pt8 would be good candidates for ORR catalysts. PMID:28349985

  10. Origin of high oxygen reduction reaction activity of Pt12 and strategy to obtain better catalyst using sub-nanosized Pt-alloy clusters

    NASA Astrophysics Data System (ADS)

    Miyazaki, Kasumi; Mori, Hirotoshi

    2017-03-01

    In the present study, methods to enhance the oxygen reduction reaction (ORR) activity of sub-nanosized Pt clusters were investigated in a theoretical manner. Using ab initio molecular dynamics and Monte Carlo simulations based on density functional theory, we have succeeded in determining the origin of the superior ORR activity of Pt12 compared to that of Pt13. That is, it was clarified that the electronic structure of Pt12 fluctuates to a greater extent compared to that of Pt13, which leads to stronger resistance against catalyst poisoning by O/OH. Based on this conclusion, a set of sub-nanosized Pt-alloy clusters was also explored to find catalysts with better ORR activities and lower financial costs. It was suggested that Ga4Pt8, Ge4Pt8, and Sn4Pt8 would be good candidates for ORR catalysts.

  11. Size, adsorption site, and spin effects in the reaction of Al clusters with water molecules: Al17 and Al28 as examples.

    PubMed

    Álvarez-Barcia, Sonia; Flores, Jesús R

    2012-08-02

    The first step of the reaction of two relatively large Alm clusters (m = 17, 28) with a few water molecules has been studied by electronic structure methods. The complexes Alm·(H2O)n (n = 1-2) have been characterized, and the saddle points corresponding to the first step in the reaction, namely, formation of HAlmOH·(H2O)n-1 systems, have been located. The Al28 cluster is special in the sense it has two electronic states, singlet and triplet, which are very close in energy and also have quite similar equilibrium structures. The preferred adsorption and reaction sites have been determined. We find quite clear preferences toward some sites, the effect of cluster distortion being moderately significant in the stability of the complexes. The interaction with water does not appear, in general, to bring the triplet state of the Al28·(H2O)2 adducts below the singlet; not even the corresponding saddle points appear to be lower in energy. The rate coefficients, tunneling transmission factors, and activation free energies have been computed and compared with those of the Al13 and Al3 clusters, even with those of the Al atom. It turns out the rates are quite close to those of Al3 and much larger than those of Al and Al13. There is no dramatic difference between the reactivity of the singlet and triplet state of Al28; however, there are very significant differences between different sites. Finally, we studied the interaction between the lowest-lying singlet and triplet states of Al28 through multireference configuration interaction (MRCI) spin-orbit computations. The vertical excitation energies corresponding to a number of low-lying singlet and triplet states are also determined by MRCI computations. It turns out that the spin-orbit interaction is very weak, which suggests that both states, the lowest-lying singlet and triplet, could evolve somehow independently, at least when interacting with closed-shell molecules. It is suggested that the situation could be quite

  12. (α,2α) cluster knockout reaction on 9Be and 12C at 580 MeV

    NASA Astrophysics Data System (ADS)

    Nadasen, A.; Brusoe, J.; Farhat, J.; Rao, K. A. G.; Sisan, D.; Williams, J.; Roos, P. G.; Adimi, F.; Gu, T.; Khayat, M.; Warner, R. E.

    1999-02-01

    Cross-section measurements of the 9Be,12C(α,2α) reaction at 580 MeV bombarding energy are presented. The data are compared with distorted-wave impulse approximation calculations. The agreement between theory and experiment suggests a dominance of the quasifree knockout mechanism. The extracted α-particle spectroscopic factors are in reasonable agreement with theory and proton-induced knockout reactions, unlike measurements for the (α,2α) reaction at energies <=140 MeV, but still show significant angular dependence.

  13. Chemistry of large hydrated anion clusters X sup minus (H sub 2 O) sub n , n = 0 minus 59 and X = OH, O, O sub 2 , and O sub 3. 3. Reaction of SO sub 2

    SciTech Connect

    Yang, X.; Castleman, A.W. Jr. )

    1991-08-08

    Sulfur dioxide is a very important species in the atmosphere, and it is also well established that it is one of the key trace neutral reactants involved in the negative ion chemistry of the stratosphere. The kinetics and mechanisms of reactions of large hydrated anion clusters X{sup {minus}}(H{sub 2}O){sub n=0{minus}59}, X = O, OH, O{sub 2}, and O{sub 3}, with SO{sub 2} are studied in a fast flow reactor under well-defined temperatures and pressures. All the clusters, except OH{sup {minus}}, react with SO{sub 2} at near the collision limit; the reactions of the hydrated anions are found to proceed mainly via a ligand switching mechanism where a few water ligands are replaced by one SO{sub 2} molecule which leads to the formation of stable reaction products. At low temperatures and large cluster sizes, association eventually dominates the reaction mechanism. Interestingly, slow rate constants (k < 10{sup {minus}13} cm{sup 3}/s) are found for the reactions between protonated water clusters, H{sup +}(H{sub 2}O){sub n = 1{minus}60} and SO{sub 2}, which show that different signs of charge on the hydrated clusters lead to different reaction mechanisms, and hence alter the reaction kinetics. The possible application of the present results to atmospheric ion chemistry and aqueous solution chemistry are also briefly discussed.

  14. Clustering effects in fusion evaporation reactions with light even-even N = Z nuclei. The {sup 24}Mg and {sup 28}Si cases

    SciTech Connect

    Morelli, L. D’Agostino, M.; Bruno, M.; Baiocco, G.; Gulminelli, F.; Cinausero, M.; Gramegna, F.; Marchi, T.; Degerlier, M.; Fabris, D.; Barlini, S.; Bini, M.; Casini, G.; Gelli, N.; Olmi, A.; Pasquali, G.; Piantelli, S.

    2015-10-15

    In the recent years, cluster structures have been evidenced in many ground and excited states of light nuclei [1, 2]. Within the currently ongoing experimental campaign by the NUCL-EX collaboration we have measured the {sup 12}C+{sup 12}C and {sup 14}N+{sup 10}B reactions at 95 MeV and 80 MeV respectively, and compared experimental data corresponding to complete fusion of target and projectile into an excited {sup 24}Mg nucleus to the results of a pure statistical model[3, 4]. We found clear deviations from the statstical model in the decay pattern: emission channels involving multiple α particles are more probable than expected from a purely statistical behavior. To continue the investigation on light systems, we have recentely measured the {sup 16}O+{sup 12}C reaction at three different beam energies, namely E{sub beam} = 90, 110 and 130 MeV.

  15. A multi purpose source chamber at the PLEIADES beamline at SOLEIL for spectroscopic studies of isolated species: Cold molecules, clusters, and nanoparticles

    SciTech Connect

    Lindblad, Andreas; Söderström, Johan; Nicolas, Christophe; Robert, Emmanuel; Miron, Catalin

    2013-11-15

    This paper describes the philosophy and design goals regarding the construction of a versatile sample environment: a source capable of producing beams of atoms, molecules, clusters, and nanoparticles in view of studying their interaction with short wavelength (vacuum ultraviolet and x-ray) synchrotron radiation. In the design, specific care has been taken of (a) the use standard components, (b) ensuring modularity, i.e., that swiftly switching between different experimental configurations was possible. To demonstrate the efficiency of the design, proof-of-principle experiments have been conducted by recording x-ray absorption and photoelectron spectra from isolated nanoparticles (SiO{sub 2}) and free mixed clusters (Ar/Xe). The results from those experiments are showcased and briefly discussed.

  16. A multi purpose source chamber at the PLEIADES beamline at SOLEIL for spectroscopic studies of isolated species: cold molecules, clusters, and nanoparticles.

    PubMed

    Lindblad, Andreas; Söderström, Johan; Nicolas, Christophe; Robert, Emmanuel; Miron, Catalin

    2013-11-01

    This paper describes the philosophy and design goals regarding the construction of a versatile sample environment: a source capable of producing beams of atoms, molecules, clusters, and nanoparticles in view of studying their interaction with short wavelength (vacuum ultraviolet and x-ray) synchrotron radiation. In the design, specific care has been taken of (a) the use standard components, (b) ensuring modularity, i.e., that swiftly switching between different experimental configurations was possible. To demonstrate the efficiency of the design, proof-of-principle experiments have been conducted by recording x-ray absorption and photoelectron spectra from isolated nanoparticles (SiO2) and free mixed clusters (Ar/Xe). The results from those experiments are showcased and briefly discussed.

  17. A multi purpose source chamber at the PLEIADES beamline at SOLEIL for spectroscopic studies of isolated species: Cold molecules, clusters, and nanoparticles

    NASA Astrophysics Data System (ADS)

    Lindblad, Andreas; Söderström, Johan; Nicolas, Christophe; Robert, Emmanuel; Miron, Catalin

    2013-11-01

    This paper describes the philosophy and design goals regarding the construction of a versatile sample environment: a source capable of producing beams of atoms, molecules, clusters, and nanoparticles in view of studying their interaction with short wavelength (vacuum ultraviolet and x-ray) synchrotron radiation. In the design, specific care has been taken of (a) the use standard components, (b) ensuring modularity, i.e., that swiftly switching between different experimental configurations was possible. To demonstrate the efficiency of the design, proof-of-principle experiments have been conducted by recording x-ray absorption and photoelectron spectra from isolated nanoparticles (SiO2) and free mixed clusters (Ar/Xe). The results from those experiments are showcased and briefly discussed.

  18. Elementary steps of the catalytic NO{sub x} reduction with NH{sub 3}: Cluster studies on reaction paths and energetics at vanadium oxide substrate

    SciTech Connect

    Gruber, M.; Hermann, K.

    2013-12-28

    We consider different reaction scenarios of the selective catalytic reduction (SCR) of NO in the presence of ammonia at perfect as well as reduced vanadium oxide surfaces modeled by V{sub 2}O{sub 5}(010) without and with oxygen vacancies. Geometric and energetic details as well as reaction paths are evaluated using extended cluster models together with density-functional theory. Based on earlier work of adsorption, diffusion, and reaction of the different surface species participating in the SCR we confirm that at Brønsted acid sites (i.e., OH groups) of the perfect oxide surface nitrosamide, NH{sub 2}NO, forms a stable intermediate. Here adsorption of NH{sub 3} results in NH{sub 4} surface species which reacts with gas phase NO to produce the intermediate. Nitrosamide is also found as intermediate of the SCR near Lewis acid sites of the reduced oxide surface (i.e., near oxygen vacancies). However, here the adsorbed NH{sub 3} species is dehydrogenated to surface NH{sub 2} before it reacts with gas phase NO to produce the intermediate. The calculations suggest that reaction barriers for the SCR are overall higher near Brønsted acid sites of the perfect surface compared with Lewis acid sites of the reduced surface, examined for the first time in this work. The theoretical results are consistent with experimental findings and confirm the importance of surface reduction for the SCR process.

  19. Elementary steps of the catalytic NOx reduction with NH3: Cluster studies on reaction paths and energetics at vanadium oxide substrate

    NASA Astrophysics Data System (ADS)

    Gruber, M.; Hermann, K.

    2013-12-01

    We consider different reaction scenarios of the selective catalytic reduction (SCR) of NO in the presence of ammonia at perfect as well as reduced vanadium oxide surfaces modeled by V2O5(010) without and with oxygen vacancies. Geometric and energetic details as well as reaction paths are evaluated using extended cluster models together with density-functional theory. Based on earlier work of adsorption, diffusion, and reaction of the different surface species participating in the SCR we confirm that at Brønsted acid sites (i.e., OH groups) of the perfect oxide surface nitrosamide, NH2NO, forms a stable intermediate. Here adsorption of NH3 results in NH4 surface species which reacts with gas phase NO to produce the intermediate. Nitrosamide is also found as intermediate of the SCR near Lewis acid sites of the reduced oxide surface (i.e., near oxygen vacancies). However, here the adsorbed NH3 species is dehydrogenated to surface NH2 before it reacts with gas phase NO to produce the intermediate. The calculations suggest that reaction barriers for the SCR are overall higher near Brønsted acid sites of the perfect surface compared with Lewis acid sites of the reduced surface, examined for the first time in this work. The theoretical results are consistent with experimental findings and confirm the importance of surface reduction for the SCR process.

  20. Quantum Chemical Insight into the LiF Interlayer Effects in Organic Electronics: Reactions between Al Atom and LiF Clusters.

    PubMed

    Wu, Shui-Xing; Kan, Yu-He; Li, Hai-Bin; Zhao, Liang; Wu, Yong; Su, Zhong-Min

    2015-08-06

    It is well known that the aluminum cathode performs dramatically better when a thin lithium fluoride (LiF) layer inserted in organic electronic devices. The doping effect induced by the librated Li atom via the chemical reactions producing AlF3 as byproduct was previously proposed as one of possible mechanisms. However, the underlying mechanism discussion is quite complicated and not fully understood so far, although the LiF interlayer is widely used. In this paper, we perform theoretical calculations to consider the reactions between an aluminum atom and distinct LiF clusters. The reaction pathways of the Al-(LiF)n (n = 2, 4, 16) systems were discovered and the energetics were theoretically evaluated. The release of Li atom and the formation of AlF3 were found in two different chemical reaction routes. The undissociated Al-(LiF)n systems have chances to change to some structures with loosely bound electrons. Our findings about the interacted Al-(LiF)n systems reveal new insights into the LiF interlayer effects in organic electronics applications.

  1. Clusters: Elucidating the dynamics of ionization events and ensuing reactions in the condensed phase. Final technical report, March 1, 1991--February 28, 1994

    SciTech Connect

    Castleman, A.W. Jr.

    1994-10-01

    Chemical reactions that proceed following either a photophysical or ionizing event, are directly influenced by the mechanisms of energy transfer and dissipation away from the site of absorption. Neighboring solvent or solute molecules can affect this by collisional deactivation (removal of energy), through effects in which dissociating molecules are kept in relatively close proximity for comparatively long periods of time due to the presence of the solvent, and in other ways where the solvent influences the energetics of the reaction coordinate. Research on clusters offers promise of elucidating the molecular details of these processes. The studies have focused on providing critical information on problems in radiation biology through investigations of reactions of molecules which simulate functional groups in biological systems, as they proceed following the absorption of ionizing radiation. The overall objective of the program has been to undertake basic underpinning research that contributes to a quantification of the behavior of radionuclides and pollutants associated with advanced energy activities after these materials emanate from their source and are transferred through the environment to the biota and human receptor. Some of the studies have dealt with the interaction of electromagnetic radiation with matter yielding new data that finds value in assessing photoinduced transformation of pollutants including reactions which take place on aerosol particles, as well as those of species which become transformed into aerosols as a result of their chemical and physical interactions.

  2. Cold intolerance

    MedlinePlus

    Some causes of cold intolerance are: Anemia Anorexia nervosa Blood vessel problems, such as Raynaud phenomenon Chronic severe illness General poor health Underactive thyroid ( hypothyroidism ) Problem with the hypothalamus (a part ...

  3. Observation of stars produced during cold fusion

    SciTech Connect

    Matsumoto, T. . Dept. of Nuclear Engineering)

    1992-12-01

    It has been indicated tht multiple-neutron nuclei such as quad-neutrons can be emitted during cold fusion. These multiple-neutrons might bombard the nuclei of materials outside a cold fusion cell to cause nuclear reactions. In this paper, observations of nuclear emulsions that were irradiated during a cold fusion experiment with heavy water and palladium foil are described. Various traces, like stars, showing nuclear reactions caused by the multiple-neutrons have been clearly observed.

  4. On the Critical Effect of the Metal (Mo vs. W) on the [3+2] Cycloaddition Reaction of M3 S4 Clusters with Alkynes: Insights from Experiment and Theory.

    PubMed

    Bustelo, Emilio; Gushchin, Artem L; Fernández-Trujillo, M Jesús; Basallote, Manuel G; Algarra, Andrés G

    2015-10-12

    Whereas the cluster [Mo3 S4 (acac)3 (py)3 ](+) ([1](+) , acac=acetylacetonate, py=pyridine) reacts with a variety of alkynes, the cluster [W3 S4 (acac)3 (py)3 ](+) ([2](+) ) remains unaffected under the same conditions. The reactions of cluster [1](+) show polyphasic kinetics, and in all cases clusters bearing a bridging dithiolene moiety are formed in the first step through the concerted [3+2] cycloaddition between the C≡C atoms of the alkyne and a Mo(μ-S)2 moiety of the cluster. A computational study has been conducted to analyze the effect of the metal on these concerted [3+2] cycloaddition reactions. The calculations suggest that the reactions of cluster [2](+) with alkynes feature ΔG(≠) values only slightly larger than its molybdenum analogue, however, the differences in the reaction free energies between both metal clusters and the same alkyne reach up to approximately 10 kcal mol(-1) , therefore indicating that the differences in the reactivity are essentially thermodynamic. The activation strain model (ASM) has been used to get more insights into the critical effect of the metal center in these cycloadditions, and the results reveal that the change in reactivity is entirely explained on the basis of the differences in the interaction energies Eint between the cluster and the alkyne. Further decomposition of the Eint values through the localized molecular orbital-energy decomposition analysis (LMO-EDA) indicates that substitution of the Mo atoms in cluster [1](+) by W induces changes in the electronic structure of the cluster that result in weaker intra- and inter-fragment orbital interactions. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Direct observation of preferential processing of clustered abasic DNA damages with APE1 in TATA box and CpG island by reaction kinetics and fluorescence dynamics.

    PubMed

    Singh, Vandana; Kumari, Bhavini; Maity, Banibrata; Seth, Debabrata; Das, Prolay

    2014-01-01

    Sequences like the core element of TATA box and CpG island are frequently encountered in the genome and related to transcription. The fate of repair of clustered abasic sites in such sequences of genomic importance is largely unknown. This prompted us to investigate the sequence dependence of cleavage efficiency of APE1 enzyme at abasic sites within the core sequences of TATA box and CpG island using fluorescence dynamics and reaction kinetics. Simultaneous molecular dynamics study through steady state and time resolved fluorescence spectroscopy using unique ethidium bromide dye release assay confirmed an elevated amount of abasic site cleavage of the TATA box sequence as compared to the core CpG island. Reaction kinetics showed that catalytic efficiency of APE1 for abasic site cleavage of core CpG island sequence was ∼4 times lower as compared to that of the TATA box. Higher value of Km was obtained from the core CpG island sequence than the TATA box sequence. This suggests a greater binding effect of APE1 enzyme on TATA sequence that signifies a prominent role of the sequence context of the DNA substrate. Evidently, a faster response from APE1 was obtained for clustered abasic damage repair of TATA box core sequences than CpG island consensus sequences. The neighboring bases of the abasic sites in the complementary DNA strand were found to have significant contribution in addition to the flanking bases in modulating APE1 activity. The repair refractivity of the bistranded clustered abasic sites arise from the slow processing of the second abasic site, consequently resulting in decreased overall production of potentially lethal double strand breaks.

  6. Cold fusion; Myth versus reality

    SciTech Connect

    Rabinowitz, M. )

    1990-01-01

    Experiments indicate that several different nuclear reactions are taking place. Some of the experiments point to D-D fusion with a cominant tritium channel as one of the reactions. The article notes a similarity between Prometheus and the discoveries of cold fusion.

  7. Using a novel technique to shape a refractory castable by Cold Isostatic Pressing and a study of the effect of pressure on the hydration reaction of high-alumina cement

    NASA Astrophysics Data System (ADS)

    Emadi, Rahmatollah; Monshi, Ahmad; Shafyei, Ali

    2007-02-01

    Calcium aluminate cements are the most hydraulically setting cements used for refractory castables. The anhydrous phases of this type of cements incorporate CA, CA2 and traces of C12A7 and alpha-alumina where C and A stand for CaO and Al2O3, respectively. Hydration starts to form the hexagonal crystals of CAH10 (H denoting H2O) and C2AH8, which convert to the cubic crystals of C3AH6 and AH3 by the passage of hydration time. In this work, Al2O3-C (alumina-graphite) castables were shaped by cold isostatic pressing at 100 to 400 bars (≈100 to 400 Kg/cm2). Hydration and conversion reactions were studied using the Ratio of Slopes Method for quantitative XRD studies after 3 and 28 days. The results showed that by increasing the pressure, the kinetics of the hydration reaction will increase and higher strengths can be obtained, which supports the idea of forming this graphite containing castable by Cold Isostatic Pressing (CIP) in industrial applications for special refractories.

  8. Nuclear Clusters in Astrophysics

    NASA Astrophysics Data System (ADS)

    Kubono, S.; Binh, Dam N.; Hayakawa, S.; Hashimoto, H.; Kahl, D.; Wakabayashi, Y.; Yamaguchi, H.; Teranishi, T.; Iwasa, N.; Komatsubara, T.; Kato, S.; Khiem, Le H.

    2010-03-01

    The role of nuclear clustering is discussed for nucleosynthesis in stellar evolution with Cluster Nucleosynthesis Diagram (CND) proposed before. Special emphasis is placed on α-induced stellar reactions together with molecular states for O and C burning.

  9. Cold nuclear fusion

    SciTech Connect

    Tsyganov, E. N.

    2012-02-15

    Recent accelerator experiments on fusion of various elements have clearly demonstrated that the effective cross-sections of these reactions depend on what material the target particle is placed in. In these experiments, there was a significant increase in the probability of interaction when target nuclei are imbedded in a conducting crystal or are a part of it. These experiments open a new perspective on the problem of so-called cold nuclear fusion.

  10. Prevention of syncopal-type reactions after whole blood donation: a cluster-randomized trial assessing hydration and muscle tension exercise.

    PubMed

    Morand, Chrystelle; Coudurier, Nicole; Rolland, Carole; Thoret, Sophie; Legrand, Dominique; Tiberghien, Pierre; Bosson, Jean-Luc

    2016-10-01

    The prevention of presyncopal and syncopal reactions to whole blood donation is important for both the donor's safety and their retention as blood donors. The best strategy to achieve this remains debated. A prospective cluster-randomized trial comparing three hydration modes (500 mL of an isotonic drink, 500 mL of water, just before phlebotomy, or advice to drink [control arm]) coupled or not with light muscle tensing exercises, was carried out in mobile and fixed units of two regional blood centers in southeast France between January and July 2014. The main outcome was the cumulative incidence of presyncope (feeling faint) and syncope (fainting) at the donation site or in the 48 hours after leaving the site. Secondary outcomes were the cumulative incidence of these adverse events during donation, immediately after blood donation, or within 48 hours. Overall, presyncope or syncope occurred in 5.5% of the 4576 donors. Compared to controls, drinking 500 mL (isotonic solution or water) significantly reduced the rate of events (odds ratio [OR], 0.74; 95% confidence interval [CI], 0.55-0.99; p = 0.041) independently of muscle tensing exercise. Muscle tensing exercises significantly reduced syncopal-type reactions during the donation (OR, 0.64; 95% CI, 0.42-0.98; p = 0.041), and an isotonic drink significantly reduced delayed off-site syncopal-type reactions (OR, 0.62; 95% CI, 0.40-0.98; p = 0.040) and tiredness after donation (OR, 0.75; 95% CI, 0.59-0.94; p = 0.014). Drinking 500mL of water or isotonic drink close to phlebotomy is useful in preventing presyncopal or syncopal reactions in blood donors. Isotonic drinks have the advantage of preventing delayed reactions and tiredness after whole blood donation. © 2016 AABB.

  11. Buffered-cluster method for hybridization of density-functional theory and classical molecular dynamics: Application to stress-dependent reaction of H2 O on nanostructured Si

    NASA Astrophysics Data System (ADS)

    Ogata, Shuji

    2005-07-01

    A hybrid density-functional-theory and molecular-dynamics simulation scheme was proposed [Ogata , Comput. Phys. Commun. 149, 30 (2002)] in which a total atomistic system is partitioned, in real space, into the quantum (QM) region whose electronic structure is calculated with the density-functional theory and the classical (CL) region treated with the interatomic potential for the molecular dynamics. In the scheme, the link-atom method that uses hydrogen atoms for termination of the QM atoms is adopted to couple the QM and CL regions mechanically. A proper choice of the QM region that retains the original atomic configuration is limited in the link-atom method. In this paper we propose a coupling method, called the buffered-cluster method, with the introduction of buffer atoms to minimize possible effects arising from the finiteness of the size of the QM region. The buffered-cluster method is applicable to any reasonable choice of the QM region in a wide range of ceramics and semiconductor materials. The accuracy of the buffered-cluster method is analyzed by applying it to crystalline Si and alumina systems, to find little differences around the QM-CL boundaries in both relaxed configuration of the atoms and recoil forces on them due to their trial displacements. The insensitivity of the atomic forces to the choice of the QM region in the buffered-cluster method makes it possible to rechoose the QM region adaptively during the hybrid simulation run for fast computation. The hybrid simulation scheme with the buffered-cluster method is applied to analyze adsorption and dissociation processes of an H2O molecule on a notched Si-slab system with or without strains, in which the H2O interacts with the notch-bottom facet of Si(100)-(2×1) dimer structure. The QM region is chosen in the system to cover the reaction region. Energy variations along the reaction paths show that the adsorption energy and the dissociation barrier of the H2O molecule on the Si(100) facet in the

  12. Photodissociation of pyrrole-ammonia clusters by velocity map imaging: mechanism for the H-atom transfer reaction.

    PubMed

    Rubio-Lago, L; Amaral, G A; Oldani, A N; Rodríguez, J D; González, M G; Pino, G A; Bañares, L

    2011-01-21

    The photodissociation dynamics of pyrrole-ammonia clusters (PyH·(NH(3))(n), n = 2-6) has been studied using a combination of velocity map imaging and non-resonant detection of the NH(4)(NH(3))(n-1) products. The excited state hydrogen-atom transfer mechanism (ESHT) is evidenced through delayed ionization and presents a threshold around 236.6 nm, in agreement with previous reports. A high resolution determination of the kinetic energy distributions (KEDs) of the products reveals slow (∼0.15 eV) and structured distributions for all the ammonia cluster masses studied. The low values of the measured kinetic energy rule out the existence of a long-lived intermediate state, as it has been proposed previously. Instead, a direct N-H bond rupture, in the fashion of the photodissociation of bare pyrrole, is proposed. This assumption is supported by a careful analysis of the structure of the measured KEDs in terms of a discrete vibrational activity of the pyrrolyl co-fragment.

  13. Molecular markers associated with cold-hardiness in Camellia

    USDA-ARS?s Scientific Manuscript database

    Sequence-characterized amplified region (SCAR) markers from expressed sequence tag-polymerase chain reaction (EST-PCR) and random amplified polymorphic DNA (RAPD) markers were developed with the goal to separate cold hardy camellias from non-cold hardy ones. A total of 28 cold hardy and non-cold h...

  14. Cold injuries.

    PubMed

    Long, William B; Edlich, Richard F; Winters, Kathryne L; Britt, L D

    2005-01-01

    Exposure to cold can produce a variety of injuries that occur as a result of man's inability to adapt to cold. These injuries can be divided into localized injury to a body part, systemic hypothermia, or a combination of both. Body temperature may fall as a result of heat loss by radiation, evaporation, conduction, and convection. Hypothermia or systemic cold injury occurs when the core body temperature has decreased to 35 degrees C (95 degrees F) or less. The causes of hypothermia are either primary or secondary. Primary, or accidental, hypothermia occurs in healthy individuals inadequately clothed and exposed to severe cooling. In secondary hypothermia, another illness predisposes the individual to accidental hypothermia. Hypothermia affects multiple organs with symptoms of hypothermia that vary according to the severity of cold injury. The diagnosis of hypothermia is easy if the patient is a mountaineer who is stranded in cold weather. However, it may be more difficult in an elderly patient who has been exposed to a cold environment. In either case, the rectal temperature should be checked with a low-reading thermometer. The general principals of prehospital management are to (1) prevent further heat loss, (2) rewarm the body core temperature in advance of the shell, and (3) avoid precipitating ventricular fibrillation. There are two general techniques of rewarming--passive and active. The mechanisms of peripheral cold injury can be divided into phenomena that affect cells and extracellular fluids (direct effects) and those that disrupt the function of the organized tissue and the integrity of the circulation (indirect effects). Generally, no serious damage is seen until tissue freezing occurs. The mildest form of peripheral cold injury is frostnip. Chilblains represent a more severe form of cold injury than frostnip and occur after exposure to nonfreezing temperatures and damp conditions. Immersion (trench) foot, a disease of the sympathetic nerves and blood

  15. Cold urticaria.

    PubMed

    Claudy, A

    2001-11-01

    Cold urticaria is one form of urticaria that may be associated with other forms of physical urticarias. Frequency is generally estimated at two or three per 100. The triggering effect of cold is found at history taking in most of the cases. The urticaria is usually superficial, and more rarely associated with deep and/or mucosal urticaria. The diagnosis is based on history taking and the ice cube test. An exhaustive search for an etiologic factor is often unfruitful, and the presence of a cryopathy should lead to a complete work-up. Therapy of cold urticaria may prove to be difficult. In patients with secondary cold urticaria, underlying disease must be treated in order to resolve the skin symptoms. H1-antihistamines can be used but the clinical responses are highly variable. Short-time treatment with low concentration corticosteroids suppresses the symptoms only partially and temporarily. In patients who do not respond to previous treatments, induction of cold tolerance may be proposed but the procedure is difficult to carry out in daily life over an extended period. Key word: cryoglobulins.

  16. An accurate potential energy surface for the F + H{sub 2} → HF + H reaction by the coupled-cluster method

    SciTech Connect

    Chen, Jun; Sun, Zhigang E-mail: zhangdh@dicp.ac.cn; Zhang, Dong H. E-mail: zhangdh@dicp.ac.cn

    2015-01-14

    A three dimensional potential energy surface for the F + H{sub 2} → HF + H reaction has been computed by the spin unrestricted coupled cluster method with singles, doubles, triples, and perturbative quadruples [UCCSDT(2){sub Q}] using the augmented correlation-consistent polarised valence quadruple zeta basis set for the fluorine atom and the correlation-consistent polarised valence quadruple zeta basis set for the hydrogen atom. All the calculations are based on the restricted open-shell Hartree-Fock orbitals, together with the frozen core approximations, and the UCCSD(T)/complete basis set (CBS) correction term was included. The global potential energy surface was calculated by fitting the sampled ab initio points without any scaling factor for the correlation energy part using a neutral network function method. Extensive dynamics calculations have been carried out on the potential energy surface. The reaction rate constants, integral cross sections, product rotational states distribution, and forward and backward scattering as a function of collision energy of the F + HD → HF + D, F + HD → DF + H, and F + H{sub 2} reaction, were calculated by the time-independent quantum dynamics scattering theory using the new surface. The satisfactory agreement with the reported experimental observations previously demonstrates the accuracy of the new potential energy surface.

  17. Excited-State Deactivation of Adenine by Electron-Driven Proton-Transfer Reactions in Adenine-Water Clusters: A Computational Study.

    PubMed

    Wu, Xiuxiu; Karsili, Tolga N V; Domcke, Wolfgang

    2016-05-04

    The reactivity of photoexcited 9H-adenine with hydrogen-bonded water molecules in the 9H-adenine-(H2 O)5 cluster is investigated by using ab initio electronic structure methods, focusing on the photoreactivity of the three basic sites of 9H-adenine. The energy profiles of excited-state reaction paths for electron/proton transfer from water to adenine are computed. For two of the three sites, a barrierless or nearly barrierless reaction path towards a low-lying S1 -S0 conical intersection is found. This reaction mechanism, which is specific for adenine in an aqueous environment, can explain the substantially shortened excited-state lifetime of 9H-adenine in water. Depending on the branching ratio of the nonadiabatic dynamics at the S1 -S0 conical intersection, the electron/proton transfer process can enhance the photostability of 9H-adenine in water or can lead to the generation of adenine-H(⋅) and OH(⋅) free radicals. Although the branching ratio is yet unknown, these findings indicate that adenine might have served as a catalyst for energy harvesting by water splitting in the early stages of the evolution of life. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Chemistry Within Molecular Clusters

    DTIC Science & Technology

    1990-01-01

    DME )nCH3OCH 2 +). We speculate that this is due to the fragments being consumed by an ion-molecule reaction within the cluster. One likely candidate is...the ion-molecule reaction of the fragment cations with a neutral DME , within the bulk cluster to form a trimethyloxonlum cation intermediate. This...the observed products. We therefore speculate that the DME cluster reactions leading to the same products, should involve the same mechanism found to

  19. Some Like It Hot, Some like It Cold

    ERIC Educational Resources Information Center

    Silberman, Robert G.

    2004-01-01

    In order to find the right combination to construct a cold pack for athletic injuries, students mix liquids and solids in a calorimeter, and use a thermometer to ascertain whether the chemical reaction is hot or cold. Many formulae for chemical reactions are given, the first of which is used for commercial cold packs.

  20. Some Like It Hot, Some like It Cold

    ERIC Educational Resources Information Center

    Silberman, Robert G.

    2004-01-01

    In order to find the right combination to construct a cold pack for athletic injuries, students mix liquids and solids in a calorimeter, and use a thermometer to ascertain whether the chemical reaction is hot or cold. Many formulae for chemical reactions are given, the first of which is used for commercial cold packs.

  1. COLD TRAP

    DOEpatents

    Milleron, N.

    1963-03-12

    An improved linear-flow cold trap is designed for highvacuum applications such as mitigating back migration of diffusion pump oil moiecules. A central pot of liquid nitrogen is nested within and supported by a surrounding, vertical, helical coil of metai sheet, all enveloped by a larger, upright, cylindrical, vacuum vessel. The vertical interstices between successive turns of the coil afford lineal, axial, high-vacuum passages between open mouths at top and bottom of said vessel, while the coil, being cold by virtue of thermal contact of its innermost turn with the nitrogen pot, affords expansive proximate condensation surfaces. (AEC)

  2. Adiabatic channel capture theory applied to cold atom-molecule reactions: Li + CaH \\to LiH + Ca at 1K

    NASA Astrophysics Data System (ADS)

    Tscherbul, Timur V.; Buchachenko, Alexei A.

    2015-03-01

    We use quantum and classical adiabatic capture theories to study the chemical reaction Li + CaH \\to LiH + Ca. Using a recently developed ab initio potential energy surface, which provides an accurate representation of long-range interactions in the entrance reaction channel, we calculate the adiabatic channel potentials by diagonalizing the Li-CaH Hamiltonian as a function of the atom-molecule separation. The resulting adiabatic channel potentials are used to calculate both the classical and quantum capture probabilities as a function of collision energy, as well as the temperature dependencies of the partial and total reaction rates. The calculated reaction rate agrees well with the measured value at 1 K (V Singh et al 2012 Phys. Rev. Lett. 108 203201), suggesting that the title reaction proceeds without an activation barrier. The calculated classical adiabatic capture rate agrees well with the quantum result in the multiple-partial-wave regime of relevance to the experiment. Significant differences are found only in the ultracold limit (T\\lt 1 mK), demonstrating that adiabatic capture theories can predict the reaction rates with nearly quantitative accuracy in the multiple-partial-wave regime.

  3. Pair natural orbital and canonical coupled cluster reaction enthalpies involving light to heavy alkali and alkaline earth metals: the importance of sub-valence correlation.

    PubMed

    Minenkov, Yury; Bistoni, Giovanni; Riplinger, Christoph; Auer, Alexander A; Neese, Frank; Cavallo, Luigi

    2017-04-05

    In this work, we tested canonical and domain based pair natural orbital coupled cluster methods (CCSD(T) and DLPNO-CCSD(T), respectively) for a set of 32 ligand exchange and association/dissociation reaction enthalpies involving ionic complexes of Li, Be, Na, Mg, Ca, Sr, Ba and Pb(ii). Two strategies were investigated: in the former, only valence electrons were included in the correlation treatment, giving rise to the computationally very efficient FC (frozen core) approach; in the latter, all non-ECP electrons were included in the correlation treatment, giving rise to the AE (all electron) approach. Apart from reactions involving Li and Be, the FC approach resulted in non-homogeneous performance. The FC approach leads to very small errors (<2 kcal mol(-1)) for some reactions of Na, Mg, Ca, Sr, Ba and Pb, while for a few reactions of Ca and Ba deviations up to 40 kcal mol(-1) have been obtained. Large errors are both due to artificial mixing of the core (sub-valence) orbitals of metals and the valence orbitals of oxygen and halogens in the molecular orbitals treated as core, and due to neglecting core-core and core-valence correlation effects. These large errors are reduced to a few kcal mol(-1) if the AE approach is used or the sub-valence orbitals of metals are included in the correlation treatment. On the technical side, the CCSD(T) and DLPNO-CCSD(T) results differ by a fraction of kcal mol(-1), indicating the latter method as the perfect choice when the CPU efficiency is essential. For completely black-box applications, as requested in catalysis or thermochemical calculations, we recommend the DLPNO-CCSD(T) method with all electrons that are not covered by effective core potentials included in the correlation treatment and correlation-consistent polarized core valence basis sets of cc-pwCVQZ(-PP) quality.

  4. Effects of low concentrations of O2 and CO on the ion-clustering reactions in the lower ionosphere of Mars

    NASA Technical Reports Server (NTRS)

    Sieck, L. W.; Gorden, R., Jr.; Ausloos, P.

    1973-01-01

    It is demonstrated that under conditions which approximate those of the Martian ionosphere traces of CO and O2 can be effectively incorporated in ion clusters via ion-molecule reaction schemes initiated by the CO2(+) ion. For example, when 0.3% CO is added to CO2, (CO)2(+), and /(CO)2CO2/(+) appear as the major cations (584 A radiation, 300 K). In mixtures containing O2 in addition to CO, (CO2,O2+) and /(CO2)2O2/(+) are important species. A recently proposed mechanism to account for the low abundance of CO and O2 in the Martian atmosphere is discussed in the light of these observations.

  5. Low energy (0-4 eV) electron impact to N{sub 2}O clusters: Dissociative electron attachment, ion-molecule reactions, and vibrational Feshbach resonances

    SciTech Connect

    Vizcaino, Violaine; Denifl, Stephan; Maerk, Tilmann D.; Scheier, Paul; Illenberger, Eugen

    2010-10-21

    Electron attachment to clusters of N{sub 2}O in the energy range of 0-4 eV yields the ionic complexes [(N{sub 2}O){sub n}O]{sup -}, [(N{sub 2}O){sub n}NO]{sup -}, and (N{sub 2}O){sub n}{sup -} . The shape of the ion yields of the three homologous series differs substantially reflecting the different formation mechanisms. While the generation of [(N{sub 2}O){sub n}O]{sup -} can be assigned to dissociative electron attachment (DEA) of an individual N{sub 2}O molecule in the target cluster, the formation of [(N{sub 2}O){sub n}NO]{sup -} is interpreted via a sequence of ion molecule reactions involving the formation of O{sup -} via DEA in the first step. The nondecomposed complexes (N{sub 2}O){sub n}{sup -} are preferentially formed at very low energies (below 0.5 eV) as a result of intramolecular stabilization of a diffuse molecular anion at low energy. The ion yields of [(N{sub 2}O){sub n}O]{sup -} and (N{sub 2}O){sub n}{sup -} versus electron energy show sharp peaks at the threshold region, which can be assigned to vibrational Feshbach resonances mediated by the diffuse anion state as already observed in an ultrahigh resolution electron attachment study of N{sub 2}O clusters [E. Leber, S. Barsotti, J. Boemmels, J. M. Weber, I. I. Fabrikant, M.-W. Ruf, and H. Hotop, Chem. Phys. Lett. 325, 345 (2000)].

  6. Cold Sores

    MedlinePlus

    ... causes oral herpes, or cold sores. Type 1 herpes virus infects more than half of the U.S. population by the time they reach their 20s. Type 2 usually affects the genital area Some people have no symptoms from the ...

  7. Cold Hands

    MedlinePlus

    ... you have a problem with the nerves or blood circulation or a problem with tissue damage in your hands or fingers. ... of causes. Having cold hands could signal a problem with your blood circulation or the blood vessels in your hands. Make ...

  8. Project COLD.

    ERIC Educational Resources Information Center

    Kazanjian, Wendy C.

    1982-01-01

    Describes Project COLD (Climate, Ocean, Land, Discovery) a scientific study of the Polar Regions, a collection of 35 modules used within the framework of existing subjects: oceanography, biology, geology, meterology, geography, social science. Includes a partial list of topics and one activity (geodesic dome) from a module. (Author/SK)

  9. Photoionization of cold gas phase coronene and its clusters: Autoionization resonances in monomer, dimer, and trimer and electronic structure of monomer cation

    SciTech Connect

    Bréchignac, Philippe Falvo, Cyril; Parneix, Pascal; Pino, Thomas; Pirali, Olivier; Garcia, Gustavo A.; Nahon, Laurent; Joblin, Christine; Kokkin, Damian; Bonnamy, Anthony; Mulas, Giacomo

    2014-10-28

    Polycyclic aromatic hydrocarbons (PAHs) are key species encountered in a large variety of environments such as the Interstellar Medium (ISM) and in combustion media. Their UV spectroscopy and photodynamics in neutral and cationic forms are important to investigate in order to learn about their structure, formation mechanisms, and reactivity. Here, we report an experimental photoelectron-photoion coincidence study of a prototypical PAH molecule, coronene, and its small clusters, in a molecular beam using the vacuum ultraviolet (VUV) photons provided by the SOLEIL synchrotron facility. Mass-selected high resolution threshold photoelectron (TPES) and total ion yield spectra were obtained and analyzed in detail. Intense series of autoionizing resonances have been characterized as originating from the monomer, dimer, and trimer neutral species, which may be used as spectral fingerprints for their detection in the ISM by VUV absorption spectroscopy. Finally, a full description of the electronic structure of the monomer cation was made and discussed in detail in relation to previous spectroscopic optical absorption data. Tentative vibrational assignments in the near-threshold TPES spectrum of the monomer have been made with the support of a theoretical approach based on density functional theory.

  10. Study of cluster structures in 10Be and 16C neutron-rich nuclei via break-up reactions

    NASA Astrophysics Data System (ADS)

    Dell'Aquila, D.; Acosta, L.; Amorini, F.; Andolina, R.; Auditore, L.; Berceanu, I.; Cardella, G.; Chatterjiee, M. B.; De Filippo, E.; Francalanza, L.; Gnoffo, B.; Grzeszczuk, A.; Lanzalone, G.; Lombardo, I.; Martorana, N.; Minniti, T.; Pagano, A.; Pagano, E. V.; Papa, M.; Pirrone, S.; Politi, G.; Pop, A.; Porto, F.; Quattrocchi, L.; Rizzo, F.; Rosato, E.; Russotto, P.; Trifirò, A.; Trimarchi, M.; Verde, G.; Vigilante, M.

    2016-05-01

    Projectile break-up reactions induced on polyethylene (CH2) target are used in order to study the spectroscopy of 10Be and 16C nuclei. For the present experiment we used 10Be and 16C beams delivered by the FRIBs facility at INFN-LNS, and the CHIMERA 4π multi-detector. 10Be and 16C structures are studied via a relative energy analysis of break-up fragments. The 4He+6He break-up channel allowed us to study the spectroscopy of 10Be; in particular we find evidence of a new state in 10Be at 13.5 MeV excitation energy. The 16C nucleus is studied via 6He-10Be correlation; we find the fingerprint of a possible state at about 20.6 MeV

  11. Hydrogen evolution reaction catalyst

    DOEpatents

    Subbaraman, Ram; Stamenkovic, Vojislav; Markovic, Nenad; Tripkovic, Dusan

    2016-02-09

    Systems and methods for a hydrogen evolution reaction catalyst are provided. Electrode material includes a plurality of clusters. The electrode exhibits bifunctionality with respect to the hydrogen evolution reaction. The electrode with clusters exhibits improved performance with respect to the intrinsic material of the electrode absent the clusters.

  12. Thermochemistry of the activation of N2 on iron cluster cations: Guided ion beam studies of the reactions of Fen+ (n=1-19) with N2

    NASA Astrophysics Data System (ADS)

    Tan, Lin; Liu, Fuyi; Armentrout, P. B.

    2006-02-01

    The kinetic energy dependences of the reactions of Fen+ (n=1-19) with N2 are studied in a guided ion beam tandem mass spectrometer over the energy range of 0-15eV. In addition to collision-induced dissociation forming Fem+ ions, which dominate the product spectra, a variety of FemN2+ and FemN+ product ions, where m ⩽n, is observed. All processes are observed to exhibit thresholds. Fem+-N and Fem+-2N bond energies as a function of cluster size are derived from the threshold analysis of the kinetic energy dependences of the endothermic reactions. The trends in this thermochemistry are compared to the isoelectronic D0(Fen+-CH), and to bulk phase values. A fairly uniform barrier of 0.48±0.03eV at 0K is observed for formation of the FenN2+ product ions (n =12, 15-19) and can be related to the rate-limiting step in the Haber process for catalytic ammonia production.

  13. Hot, Cold, and Really Cold.

    ERIC Educational Resources Information Center

    Leyden, Michael

    1997-01-01

    Describes a physics experiment investigating temperature prediction and the relationship between the physical properties of heat units, melting, dissolving, states of matter, and energy loss. Details the experimental setup, which requires hot and cold water, a thermometer, and ice. Notes that the experiment employs a deliberate counter-intuitive…

  14. Hot, Cold, and Really Cold.

    ERIC Educational Resources Information Center

    Leyden, Michael

    1997-01-01

    Describes a physics experiment investigating temperature prediction and the relationship between the physical properties of heat units, melting, dissolving, states of matter, and energy loss. Details the experimental setup, which requires hot and cold water, a thermometer, and ice. Notes that the experiment employs a deliberate counter-intuitive…

  15. Synthesis of the Z =122 superheavy nucleus via 58Fe- and 64Ni-induced reactions using the dynamical cluster-decay model

    NASA Astrophysics Data System (ADS)

    Chopra, Sahila; Hemdeep, Gupta, Raj K.

    2017-04-01

    Within the framework of the dynamical cluster-decay model (DCM), we have studied the nuclear system with Z =122 and mass number A = 306 formed via two "hot" fusion reactions 58Fe+248Cm and 64Ni+242Pu . The up-to-date measured data are available only for the first reaction, and for fusion-fission cross section σff and quasifission cross section σqf, only at one compound nucleus (CN) excitation energy E*=33 MeV . In this study, we have included the deformation effects up to quadrupole deformations β2 i and with "optimum" orientations θiopt . for coplanar (Φ =00 ) configurations. The only parameter of the model is the neck-length parameter Δ R whose value, for the nuclear proximity potential used here, remains within its range of validity (˜2 fm ). Using the best fitted Δ R 's to the observed data for σff, calculated for mass region A /2 ±20 , and σqf for the incoming channel of Fe-induced reaction at E*=33 MeV , we have extended the DCM calculations to the other Ni-induced reaction, and to E*'s in the energy range 25-68 MeV. The interesting result is that the predicted evaporation residue cross section σER for 1-4 neutrons is largest for 4n decay at E*=45 MeV , having the value σER≡σ4 n˜10-5 pb for both reactions, and that the Δ R 's for the three processes (ER, ff, and qf) are different, i.e., they belong to different time scales where ff occurs first, then qf and the ER at the end. Other results of interest are the predictions of the magic N =82 136Xe fragment in the ff region of mass A /2 ±20 , and the doubly magic 208Pb in the qf region, in near close agreement with observed data (the observed fission fragment is of mass 132, instead of the predicted mass 136). The role of the weakly bound neutron-rich intermediate mass fragments and of the nucleus in the neighborhood of deformed magic Z = 108 are also indicated in the DCM calculations, which need experimental verification. For the predicted σER, the largest value of CN fusion probability PCN

  16. Results of an attempt to measure increased rates of the reaction D-2 + D-2 yields He-3 + n in a nonelectrochemical cold fusion experiment

    NASA Technical Reports Server (NTRS)

    Fralick, Gustave C.; Decker, Arthur J.; Blue, James W.

    1989-01-01

    An experiment was performed to look for evidence of deuterium fusion in palladium. The experiment, which involved introducing deuterium into the palladium filter of a hydrogen purifier, was designed to detect neutrons produced in the reaction D-2 + D-2 yields He-3 + n as well as heat production. The neutron counts for deuterium did not differ significantly from background or from the counts for a hydrogen control. Heat production was detected when deuterium, but not hydrogen, was pumped from the purifier.

  17. Cold Fusion, A Journalistic Investigation

    NASA Astrophysics Data System (ADS)

    Krivit, Steven B.

    2005-03-01

    Author of the recent book, The Rebirth of Cold Fusion, and founder of New Energy Times, Steven B. Krivit presents a summary of cold fusion's, past, present and possible future. This talk will briefly review five highlights of the recent New Energy Times investigation into cold fusion research:1. Analysis of early studies that supposedly disproved cold fusion.2. Key early corroborations that supported the claims of Fleischmann and Pons.3. The evolving understanding of cold fusion reaction paths and by-products.4. A look at volumetric power density.5. Brief comparison of the progress in hot fusion research as compared to cold fusion research.New Energy Times, founded in 2000, is an independent communications company which currently specializes in reporting on cold fusion researchootnotetextReferences and copies of the presentation are available at www.newenergytimes.com/reports/aps2005.htmhttp://www.newenergytimes.com/reports/aps2005.htm. It has no affiliations with any organization, entity or party which invests in these technologies, nor any individual researcher or research facility.

  18. Cold urticaria with persistent weals.

    PubMed

    Juhlin, L

    1981-06-01

    A patient with cold urticaria is described in whom weals appeared immediately after an ice cube test for 3 min and persisted for a week as a red, tender swelling. The duration of the oedema was dependent on the intensity of the immediate reaction. If the immediate wealing was blocked by treatment with an oral antihistamine 3 h before the ice cube test, no delayed reaction was seen. Antihistamines given after the immediate wealing had occurred did not influence the delayed reaction. Reactions to intradermally injected histamine, prostaglandin E, kallikrein, serotonin and serum appeared normal.

  19. Fluorescence measurements show stronger cold inhibition of photosynthetic light reactions in Scots pine compared to Norway spruce as well as during spring compared to autumn

    PubMed Central

    Linkosalo, Tapio; Heikkinen, Juha; Pulkkinen, Pertti; Mäkipää, Raisa

    2014-01-01

    We studied the photosynthetic activity of Scots pine (Pinus sylvestris L.) and Norway spruce (Picea abies [L.] Karst) in relation to air temperature changes from March 2013 to February 2014. We measured the chlorophyll fluorescence of approximately 50 trees of each species growing in southern Finland. Fluorescence was measured 1–3 times per week. We began by measuring shoots present in late winter (i.e., March 2013) before including new shoots once they started to elongate in spring. By July, when the spring shoots had achieved similar fluorescence levels to the older ones, we proceeded to measure the new shoots only. We analyzed the data by fitting a sigmoidal model containing four parameters to link sliding averages of temperature and fluorescence. A parameter defining the temperature range over which predicted fluorescence increased most rapidly was the most informative with in describing temperature dependence of fluorescence. The model generated similar fluorescence patterns for both species, but differences were observed for critical temperature and needle age. Down regulation of the light reaction was stronger in spring than in autumn. Pine showed more conservative control of the photosynthetic light reactions, which were activated later in spring and more readily attenuated in autumn. Under the assumption of a close correlation of fluorescence and photosynthesis, spruce should therefore benefit more than pine from the increased photosynthetic potential during warmer springs, but be more likely to suffer frost damage with a sudden cooling following a warm period. The winter of 2013–2014 was unusually mild and similar to future conditions predicted by global climate models. During the mild winter, the activity of photosynthetic light reactions of both conifers, especially spruce, remained high. Because light levels during winter are too low for photosynthesis, this activity may translate to a net carbon loss due to respiration. PMID:24982664

  20. Fluorescence measurements show stronger cold inhibition of photosynthetic light reactions in Scots pine compared to Norway spruce as well as during spring compared to autumn.

    PubMed

    Linkosalo, Tapio; Heikkinen, Juha; Pulkkinen, Pertti; Mäkipää, Raisa

    2014-01-01

    We studied the photosynthetic activity of Scots pine (Pinus sylvestris L.) and Norway spruce (Picea abies [L.] Karst) in relation to air temperature changes from March 2013 to February 2014. We measured the chlorophyll fluorescence of approximately 50 trees of each species growing in southern Finland. Fluorescence was measured 1-3 times per week. We began by measuring shoots present in late winter (i.e., March 2013) before including new shoots once they started to elongate in spring. By July, when the spring shoots had achieved similar fluorescence levels to the older ones, we proceeded to measure the new shoots only. We analyzed the data by fitting a sigmoidal model containing four parameters to link sliding averages of temperature and fluorescence. A parameter defining the temperature range over which predicted fluorescence increased most rapidly was the most informative with in describing temperature dependence of fluorescence. The model generated similar fluorescence patterns for both species, but differences were observed for critical temperature and needle age. Down regulation of the light reaction was stronger in spring than in autumn. Pine showed more conservative control of the photosynthetic light reactions, which were activated later in spring and more readily attenuated in autumn. Under the assumption of a close correlation of fluorescence and photosynthesis, spruce should therefore benefit more than pine from the increased photosynthetic potential during warmer springs, but be more likely to suffer frost damage with a sudden cooling following a warm period. The winter of 2013-2014 was unusually mild and similar to future conditions predicted by global climate models. During the mild winter, the activity of photosynthetic light reactions of both conifers, especially spruce, remained high. Because light levels during winter are too low for photosynthesis, this activity may translate to a net carbon loss due to respiration.

  1. Ab initio molecular-orbital study on successive hydrogen-elimination reactions with low activation energies in the a-Si:H formation process: Cluster-size dependence of activation energies

    NASA Astrophysics Data System (ADS)

    Sato, Kota; Honna, Hiroshi; Iwabuchi, Susumu; Hirano, Tsuneo; Koinuma, Hideomi

    1994-07-01

    Successive hydrogen-elimination reactions with low activation energies during the formation of a-Si:H by silane plasma chemical-vapor deposition proposed by us were studied by using a larger cluster model on the basis of an ab initio molecular-orbital method. The activation energy of the first step, the reaction of a dangling-bond site with an adjacent tetrahedrally coordinated silicon, was found to be 18.2 kcal/mol (0.79 eV) by employing a larger cluster model. The total process was also shown to be thermodynamically more favorable by using larger cluster models. Thus, the successive process is considered to play an important role in a-Si:H formation processes.

  2. Mechanism of formation oxygenated compounds from CO + H[sub 2] reaction over SiO[sub 2]-supported Ru-Co bimetallic carbonyl cluster-derived catalysts

    SciTech Connect

    Feng-Shou Xiao Jilin Univ., Changchun ); Fukuoka, A.; Ichikawa, M. )

    1992-11-01

    The catalytic performance in CO hydrogenation over Ru, Ru-Co, and Co carbonyl cluster-derived catalysts has been investigated, and it was found that the activity and selectivity for oxygenated products on a series of Ru-Co/SiO[sub 2] catalysts are much higher than those on Ru[sub 3]/SiO[sub 2] and Co[sub 4]/SiO[sub 2] catalysts. The mechanism of oxygenated formation on these Ru-Co/SiO[sub 2] catalysts has been investigated by in situ infrared, mass, and X-ray photoelectron spectroscopies. The IR spectra of reaction of CO + H[sub 2] with Ru-Co/SiO[sub 2] catalysts show a band appearing at 1584 cm[sup [minus]1], which has a good relationship to the activity and selectivity for oxygenates in CO hydrogenation. The adsorption of CO on reduced Ru-Co/SiO[sub 2] catalysts prepared from Ru-Co bimetallic carbonyl clusters exhibits a band at 1680 cm[sup [minus]1] shifting to 1640 cm[sup [minus]1] with [sup 13]CO, which is assigned to the C- and O-ended CO chemisorbed on Ru-Co/SiO[sub 2] catalysts. The chemical trapping of 1584 cm[sup [minus]1] adspecies shows that the 1584 cm[sup [minus]1] species reacts with H[sub 2] to produce CH[sub 4] and CH[sub 3]OH, and the addition of D[sub 2] to 1584 cm[sup [minus]1] species results in the formation of CHD[sub 3] and CHD[sub 2]OD. With the increase of reaction time and temperature, the author finds the bands at 1555 and 1440-1470 cm[sup [minus]1], while the 1584 cm[sup [minus]1] band gradually decreases on Ru-Co/SiO[sub 2] catalysts. XPS spectra demonstrate that the Ru and Co sites on the surface of Ru-Co/SiO[sub 2] catalysts are in the chemical state of Ru[sup 0] and Co[sup 2[minus

  3. COLD TRAPS

    DOEpatents

    Thompson, W.I.

    1958-09-30

    A cold trap is presented for removing a condensable component from a gas mixture by cooling. It consists of a shell, the exterior surface of which is chilled by a refrigerant, and conductive fins welded inside the shell to condense the gas, and distribute the condensate evenly throughout the length of the trap, so that the trap may function until it becomes completely filled with the condensed solid. The contents may then be removed as either a gas or as a liquid by heating the trap. This device has particuinr use as a means for removing uranium hexafluoride from the gaseous diffusion separation process during equipment breakdown and repair periods.

  4. Product PCNPsurv or the "reduced" evaporation residue cross section σER/σfusion for "hot" fusion reactions studied with the dynamical cluster-decay model

    NASA Astrophysics Data System (ADS)

    Chopra, Sahila; Kaur, Arshdeep; Hemdeep, Gupta, Raj K.

    2016-04-01

    The product PCNPsurv of compound nucleus (CN) fusion probability PCN and survival probability Psurv is calculated to determine the reduced evaporation residue cross section σER/σfusion , denoted σERreduced, with (total) fusion cross section σfusion given as a sum of CN-formation cross section σCN and non-CN cross section σnCN for each reaction, where σCN is the sum of evaporation residue cross section σER and fusion-fission cross section σff and σnCN, if not measured, is estimated empirically as the difference between measured and calculated σfusion. Our calculations of PCN and Psurv, based on the dynamical cluster-decay model, were successfully made for some 17 "hot" fusion reactions, forming different CN of mass numbers ACN˜100 -300 , with deformations of nuclei up to hexadecapole deformations and "compact" orientations for both coplanar (Φc=0∘ ) and noncoplanar (Φc≠0∘ ) configurations, using various different nuclear interaction potentials. Interesting variations of σERreduced with CN excitation energy E*, fissility parameter χ , CN mass ACN, and Coulomb parameter Z1Z2 show that, independent of entrance channel, different isotopes of CN, and nuclear interaction potentials used, the dominant quantity in the product is Psurv, which classifies all the studied CN into three groups of weakly fissioning, radioactive, and strongly fissioning superheavy nuclei, with relative magnitudes of σERreduced˜1 , ˜10-6 , and ˜10-11 , which, like for PCN, get further grouped in two dependencies of (i) weakly fissioning and strongly fissioning superheavy nuclei decreasing with increasing E* and (ii) radioactive nuclei increasing with increasing E*.

  5. A Coupled Cluster Investigation of SNO Radical Isomers and Their Reactions with Hydrogen Atom: Insight into Structures, Conformers, Barriers, and Energetics.

    PubMed

    Kumar, Manoj; Francisco, Joseph S

    2017-09-07

    High-level coupled cluster theory with single and double excitation, and including a perturbative triples correction (CCSD(T)) method and a series of Dunning's augmented correlation consistent basis sets, aug-cc-pVXZ (X = D, T, Q, and 5) was applied to examine the conformational landscape of SNO radical system. The basis set has an important effect on the relative stability of SNO radical isomers; that is, at the CCSD(T)/aug-cc-pV5Z level of theory, the NSO radical is the most stable member of SNO radical family. This is in contrast to previous density functional theory prediction suggesting SNO radical is the most stable isomer. The CCSD(T)/aug-cc-pV5Z//CCSD(T)/aug-cc-pVTZ results suggest that the reaction between SNO radical isomers and hydrogen atom result in the formation of their [H,N,S,O] hydrides with HNSO hydrides being the most stable ones. Subsequently, these hydrides could decompose either into SH and NO radicals or into SN and OH radicals. The former pathway is preferred due to relatively lower barriers and favorable reaction energies. The results from our calculations support the role of S-nitrosothiols as NO shuttling agent in signaling-pathways and as a new source of HS and NO radicals in the lower atmosphere of Venus. Overall, these high-level calculations will play an important role in improving our understanding about the chemistry of S-nitrosothiols that has recently become a topic of interest because of their involvement in biochemical pathways and planetary processes.

  6. On a weak flavor for cold fusion

    SciTech Connect

    Chatterjee, L. . Dept. of Physics)

    1991-11-01

    In this paper the possibility of recent reports of cold fusion in deuterated metals being manifestations of primal nucleoweak reactions catalyzed by the host environment is investigated. Resulting experimental signatures are predicted.

  7. Cold Urticaria

    PubMed Central

    Wasserman, Stephen I.; Soter, Nicholas A.; Center, David M.; Austen, K. Frank

    1977-01-01

    Sera were obtained from the venous effluents of cold-challenged arms of patients with idiopathic cold urticaria without plasma or serum cryoproteins; these sera exhibited increased neutrophil chemotactic activity without alterations of the complement system. A two- to fourfold augmentation of the base-line neutrophil chemotactic activity of serum from the immersed extremity began within 1 min, peaked at 2 min, and returned to base-line levels within 15 min, whereas there was no change in the serum chemotactic activity in the control arm. The augmented chemotactic activity in the serum specimens from the challenged arm of each patient appeared in a high molecular-weight region, as assessed by the difference in activity recovered after Sephadex G-200 gel filtration of the paired lesional and control specimens. Sequential purification of this high molecular-weight activity by anion- and cation-exchange chromatography revealed a single peak of activity at both steps. The partially purified material continued to exhibit a high molecular weight, being excluded on Sepharose 4B, and had a neutral isoelectric point. The partially purified material showed a preferential chemotactic activity for neutrophilic polymorphonuclear leukocytes, required a gradient for expression of this function, and exhibited a capacity to deactivate this cell type. This active principle, termed high molecular-weight neutrophil chemotactic factor, exhibited a time-course of release that could be superimposed upon that of histamine and the low molecular-weight eosinophil chemotactic factor and may represent another mast cell-derived mediator. PMID:874083

  8. Cold and ultracold dynamics of the barrierless D(+) + H2 reaction: Quantum reactive calculations for ∼R(-4) long range interaction potentials.

    PubMed

    Lara, Manuel; Jambrina, P G; Aoiz, F J; Launay, J-M

    2015-11-28

    Quantum reactive and elastic cross sections and rate coefficients have been calculated for D(+) + H2 (v = 0, j = 0) collisions in the energy range from 10(-8) K (deep ultracold regime), where only one partial wave is open, to 150 K (Langevin regime) where many of them contribute. In systems involving ions, the ∼R(-4) behavior extends the interaction up to extremely long distances, requiring a special treatment. To this purpose, we have used a modified version of the hyperspherical quantum reactive scattering method, which allows the propagations up to distances of 10(5) a0 needed to converge the elastic cross sections. Interpolation procedures are also proposed which may reduce the cost of exact dynamical calculations at such low energies. Calculations have been carried out on the PES by Velilla et al. [J. Chem. Phys. 129, 084307 (2008)] which accurately reproduces the long range interactions. Results on its prequel, the PES by Aguado et al. [J. Chem. Phys. 112, 1240 (2000)], are also shown in order to emphasize the significance of the inclusion of the long range interactions. The calculated reaction rate coefficient changes less than one order of magnitude in a collision energy range of ten orders of magnitude, and it is found in very good agreement with the available experimental data in the region where they exist (10-100 K). State-to-state reaction probabilities are also provided which show that for each partial wave, the distribution of HD final states remains essentially constant below 1 K.

  9. Nanofriction in cold ion traps.

    PubMed

    Benassi, A; Vanossi, A; Tosatti, E

    2011-01-01

    Sliding friction between crystal lattices and the physics of cold ion traps are so far non-overlapping fields. Two sliding lattices may either stick and show static friction or slip with dynamic friction; cold ions are known to form static chains, helices or clusters, depending on the trapping conditions. Here we show, based on simulations, that much could be learnt about friction by sliding, through, for example, an electric field, the trapped ion chains over a corrugated potential. Unlike infinite chains, in which the theoretically predicted Aubry transition to free sliding may take place, trapped chains are always pinned. Yet, a properly defined static friction still vanishes Aubry-like at a symmetric-asymmetric structural transition, found for decreasing corrugation in both straight and zig-zag trapped chains. Dynamic friction is also accessible in ringdown oscillations of the ion trap. Long theorized static and dynamic one-dimensional friction phenomena could thus become accessible in future cold ion tribology.

  10. Resonances in SN2 reactions: Two-mode quantum calculations for Cl-+CH3Br on a coupled-cluster potential energy surface

    NASA Astrophysics Data System (ADS)

    Schmatz, Stefan; Botschwina, Peter; Hauschildt, Jan; Schinke, Reinhard

    2002-12-01

    An effective two-dimensional potential energy surface has been constructed for the SN2 reaction Cl-+CH3Br→ClCH3+Br- from coupled-cluster calculations with a large basis set. In the quantum dynamics calculations Radau coordinates were employed to describe the Cl-C and C-Br stretching modes. Making use of the filter diagonalization method and an optical potential, bound states as well as resonance states up to energies far above the dissociation threshold have been calculated. The resonance widths fluctuate over several orders of magnitude. In addition to a majority of Feshbach-type resonances there are also exceedingly long-lived shape resonances, which can only decay by tunneling. Owing to a smaller width of the potential barrier and a larger density of states, tunneling through the barrier is more important for Cl-+CH3Br than for Cl-+CH3Cl despite the larger total mass of this system. Excitation of the C-Br stretching vibration enhances the tunneling probability of the entrance channel complex.

  11. Chemistry within Molecular Clusters

    DTIC Science & Technology

    1992-05-29

    molecule reaction of the fragment cations with a neutral DME within the bulk cluster, to form a trimethyloxonium cation intermediate. Similar ion...trimethyloxonium intermediate as the common intermediate for the observed products. We therefore speculate that the DME cluster reactions leading to the same...1982, 20, 51, Ibid. Kinetics of Ion-Molecule Reactions ; Ausloos, P., Ed.; Plenum, New York, 1979; p. 69. (18) Ono, Y.; Ng, C. Y. J. Am. Chem. Soc. 1982

  12. Mathematical modeling of cold cap

    SciTech Connect

    Pokorny, Richard; Hrma, Pavel R.

    2012-10-13

    The ultimate goal of studies of cold cap behavior in glass melters is to increase the rate of glass processing in an energy-efficient manner. Regrettably, mathematical models, which are ideal tools for assessing the responses of melters to process parameters, have not paid adequate attention to the cold cap. In this study, we consider a cold cap resting on a pool of molten glass from which it receives a steady heat flux while temperature, velocity, and extent of conversion are functions of the position along the vertical coordinate. A one-dimensional (1D) mathematical model simulates this process by solving the differential equations for mass and energy balances with appropriate boundary conditions and constitutive relationships for material properties. The sensitivity analyses on the effects of incoming heat fluxes to the cold cap through its lower and upper boundaries show that the cold cap thickness increases as the heat flux from above increases, and decreases as the total heat flux increases. We also discuss the effects of foam, originating from batch reactions and from redox reactions in molten glass and argue that models must represent the foam layer to achieve a reliable prediction of the melting rate as a function of feed properties and melter conditions.

  13. Systematic study of heavy cluster emission from 210-226Ra isotopes

    NASA Astrophysics Data System (ADS)

    Santhosh, K. P.; Sahadevan, Sabina; Priyanka, B.; Unnikrishnan, M. S.

    2012-05-01

    The half lives for various clusters lying in the cold reaction valleys of 210-226Ra isotopes are computed using our Coulomb and proximity potential model (CPPM). The computed half lives of 4He and 14C clusters from 210-226Ra isotopes are in good agreement with experimental data. Half lives are also computed using the universal formula for cluster decay (UNIV) of Poenaru et al., and are found to be in agreement with CPPM values. Our study reveals the role of doubly magic 208Pb daughter in cluster decay process. Geiger-Nuttall plots for all clusters up to 62Fe are studied and are found to be linear with different slopes and intercepts. 12,14C emission from 220Ra; 14C emission from 222,224Ra; 14C and 20O emission from 226Ra are found to be most favourable for measurement and this observation will serve as a guide to the future experiments.

  14. Reactivity of Metal Clusters.

    PubMed

    Luo, Zhixun; Castleman, A W; Khanna, Shiv N

    2016-12-14

    We summarize here the research advances on the reactivity of metal clusters. After a simple introduction of apparatuses used for gas-phase cluster reactions, we focus on the reactivity of metal clusters with various polar and nonpolar molecules in the gas phase and illustrate how elementary reactions of metal clusters proceed one-step at a time under a combination of geometric and electronic reorganization. The topics discussed in this study include chemical adsorption, addition reaction, cleavage of chemical bonds, etching effect, spin effect, the harpoon mechanism, and the complementary active sites (CAS) mechanism, among others. Insights into the reactivity of metal clusters not only facilitate a better understanding of the fundamentals in condensed-phase chemistry but also provide a way to dissect the stability and reactivity of monolayer-protected clusters synthesized via wet chemistry.

  15. The Status of "Cold Fusion",

    DTIC Science & Technology

    1998-02-17

    The questions raised by reports of nuclear reactions at low energies, so called ’ cold fusion ,’ are not yet answered to the satisfaction of many...S. were on ’ cold fusion ’. The response to the prospect of easy and inexhaustible energy, maybe with little residual radiation, was comparable to the...public reaction to Roentgen’s report of x-rays in 1895. Then it was thought that privacy would no longer be possible. The strength of the ’ cold fusion ’ surprise

  16. The reality of cold fusion

    SciTech Connect

    Case, L.C. )

    1991-12-01

    Despite the unreproducibility, doubt, and controversy involved in the question of the cold fusion of deuterium, enough good data have been published to clearly indicate the reality of some sort of nuclear fusion. Yamaguchi and Niushioka reported a thrice-repeated event in which large amounts of heat and definite bursts of neutrons evolved simultaneously with considerable out-gassing of absorbed deuterium. These results are consistent with nuclear fusion and not with a chemical reaction. In this paper a detailed mechanism is proposed that is consistent with these events and that also generally explains many of the scattered indications of cold fusion that have been reported. There must be an adventitiously large enough presence of tritium to initiate the nuclear reaction. The results of previously successful experiments cannot now be reproduced because currently available D{sub 2}O (and D{sub 2}) is so low in adventitious tritium as to preclude initiation of the nuclear reaction.

  17. Relationships of self-identified cold tolerance and cold-induced vasodilatation in the finger

    NASA Astrophysics Data System (ADS)

    Park, Joonhee; Lee, Joo-Young

    2016-04-01

    This study was conducted to investigate relationships of self-identified cold tolerance and cold-induced vasodilatation (CIVD) in the finger. Nine males and 34 females participated in the following 2 tests: a CIVD test and a self-reported survey. The CIVD test was conducted 30-min cold-water immersion (3.8 ± 0.3 °C) of the middle finger at an air temperature of 27.9 ± 0.1 °C. The self-reported questionnaire consisted of 28 questions about whole and local body cold and heat tolerances. By a cluster analysis on the survey results, the participants were divided into two groups: high self-identified cold tolerance (HSCT, n = 25) and low self-identified cold tolerance (LSCT, n = 18). LSCT had lower self-identified cold tolerance ( P < 0.001), preferred hot thermal stimulation ( P = 0.006), and wore heavier clothing during daily life ( P < 0.001) than HSCT. LSCT had significantly lower maximal finger temperatures ( T max) ( P = 0.040), smaller amplitude ( P = 0.029), and delayed onset time of CIVD ( P = 0.080) when compared to HSCT. Some questions examining the self-identified cold or heat tolerance had relationships with cold tolerance index, T max, and amplitude ( P < 0.1). These results indicate that self-identified cold tolerance classified through a standardized survey could be a good index to predict physiological cold tolerance.

  18. Relationships of self-identified cold tolerance and cold-induced vasodilatation in the finger.

    PubMed

    Park, Joonhee; Lee, Joo-Young

    2016-04-01

    This study was conducted to investigate relationships of self-identified cold tolerance and cold-induced vasodilatation (CIVD) in the finger. Nine males and 34 females participated in the following 2 tests: a CIVD test and a self-reported survey. The CIVD test was conducted 30-min cold-water immersion (3.8 ± 0.3 °C) of the middle finger at an air temperature of 27.9 ± 0.1 °C. The self-reported questionnaire consisted of 28 questions about whole and local body cold and heat tolerances. By a cluster analysis on the survey results, the participants were divided into two groups: high self-identified cold tolerance (HSCT, n = 25) and low self-identified cold tolerance (LSCT, n = 18). LSCT had lower self-identified cold tolerance (P < 0.001), preferred hot thermal stimulation (P = 0.006), and wore heavier clothing during daily life (P < 0.001) than HSCT. LSCT had significantly lower maximal finger temperatures (T max) (P = 0.040), smaller amplitude (P = 0.029), and delayed onset time of CIVD (P = 0.080) when compared to HSCT. Some questions examining the self-identified cold or heat tolerance had relationships with cold tolerance index, T max, and amplitude (P < 0.1). These results indicate that self-identified cold tolerance classified through a standardized survey could be a good index to predict physiological cold tolerance.

  19. Cough & Cold Medicine Abuse

    MedlinePlus

    ... Loss Surgery? A Week of Healthy Breakfasts Shyness Cough & Cold Medicine Abuse KidsHealth > For Teens > Cough & Cold ... tos y el resfriado Why Do People Use Cough and Cold Medicines to Get High? There's an ...

  20. Cold symptoms (image)

    MedlinePlus

    Colds are caused by a virus and can occur year-round. The common cold generally involves a runny nose, nasal congestion, and sneezing. Other symptoms include sore throat, cough, and headache. A cold usually lasts ...

  1. Cough & Cold Medicine Abuse

    MedlinePlus

    ... Loss Surgery? A Week of Healthy Breakfasts Shyness Cough & Cold Medicine Abuse KidsHealth > For Teens > Cough & Cold ... Someone Quit? Avoiding DXM Why Do People Use Cough and Cold Medicines to Get High? There's an ...

  2. Rheological Implications of Peridotite Serpentinization Reactions and Orogenic Serpentinite Emplacement by "Cold" Intrusion under Hydrothermal Conditions (T < 550°C) in the California Coast Ranges: Insights from Dissolution and Growth Microstructures

    NASA Astrophysics Data System (ADS)

    Kirby, Stephen

    2017-04-01

    The natural system represented by a simplified serpentinization and dehydration reaction: olivine + water <-> serpentine + associated minerals has unusual properties from the standpoint of rheology and flow. In the absence of free water, the layer-silicate serpentine at T < 500°C is moderately strong, with a coefficient of friction of 0.6 over the range that it is stable, poor (001) cleavage, conchoidal fracture, high plastic yield strength, consequent to its difficult intracrystalline slip owing to its difficult basal slip that require breaking the Mg-O and Mg-OH bonds in the Mg interlayer and lack of easy slip on non-basal glide planes. The serpentinite-forming reaction involves a large mass uptake of water and volume increase. In excess of the amount of water to complete the reaction, serpentinites in orogens generally show abundant evidence of deformation under hydrothermal conditions, such as vein filling and deformation-induced dissolution and growth processes. Recent petrographic studies of serpentinite block-and-matrix samples collected from the San Francisco Bay Area of California by Uno and Kirby (EPSL Submitted, 2017), Lewis and Kirby (2015 AGU Poster Abstract) verify the importance of this deformation mechanism in those rocks. Finally, dozens of geologic papers published from 1935 to 1999 on these same serpentinite bodies, including those based geologic mapping on surface and underground mercury mine workings, concluded that they are cold intrusions injected as plugs, sills, dikes and fault fillings as enabled by the rheological effects of hydrothermal fluids as described above (Kellner and Kirby, 2016 AGU Poster Abstract). Some of these bodies may have been driven upward as diapirs and/or by volume expansion while being serpentinized during ascent through the crust. Evidence for these reactions has been found in thin sections found in nearly several hundred thin sections cut from block samples from 21 such bodies (Uno and Kirby, 2017; Madeline Lewis

  3. Site selectivity in the reactions of the hexanuclear platinum cluster [Pt6(mu-PtBu2)4(CO)6][CF3SO3]2.

    PubMed

    Bonaccorsi, Cristina; de Biani, Fabrizia Fabrizi; Leoni, Piero; Marchetti, Fabio; Marchetti, Lorella; Zanello, Piero

    2008-01-01

    The previously reported hexanuclear cluster [Pt(6)(mu-PtBu(2))(4)(CO)(6)](2+)[Y](2) (1-Y(2): Y=CF(3)SO(3) (-)) contains a central Pt(4) tetrahedron bridged at each of the opposite edges by another platinum atom; in turn, four phosphido ligands bridge the four Pt-Pt bonds not involved in the tetrahedron, and, finally, one carbonyl ligand is terminally bonded to each metal centre. Interestingly, the two outer carbonyls are more easily substituted or attacked by nucleophiles than the inner four, which are bonded to the tetrahedron vertices. In fact, the reaction of 1-Y(2) with 1 equiv of [nBu(4)N]Cl or with an excess of halide salts gives the monochloride [Pt(6)(mu-PtBu(2))(4)(CO)(5)Cl](+)[Y], 2-Y, or the neutral dihalide derivatives [Pt(6)(mu-PtBu(2))(4)(CO)(4)X(2)] (3: X=Cl; 4: X=Br; 5: X=I). Moreover, the useful unsymmetrically substituted [Pt(6)(mu-PtBu(2))(4)(CO)(4)ICl] (6) was obtained by reacting equimolar amounts of 2 and [nBu(4)N]I, and the dicationic derivatives [Pt(6)(mu-PtBu(2))(4)(CO)(4)L(2)](2+)[Y](2) (7-Y(2): L=(13)CO; 8-Y(2): L=CNtBu; 9-Y(2): L=PMe(3)) were obtained by reaction of an excess of the ligand L with 1-Y(2). Weaker nitrogen ligands were introduced by dissolving the dichloride 3 in acetonitrile or pyridyne in the presence of TlPF(6) to afford [Pt(6)(mu-PtBu(2))(4) (CO)(4)L(2)](2+)[Z](2) (Z=PF(6) (-), 10-Z(2): L=MeCN; 11-Z(2): L=Py). The "apical" carbonyls in 1-Y(2) are also prone to nucleophilic addition (Nu(-): H(-), MeO(-)) affording the acyl derivatives [Pt(6)(mu-PtBu(2))(4)(CO)(4)(CONu)(2)] (12: Nu=H; 13: Nu=OMe). Complex 12 is slowly converted into the dihydride [Pt(6)(mu-PtBu(2))(4)(CO)(4)H(2)] (14), which was more cleanly prepared by reacting 3 with NaBH(4). In a unique case we observed a reaction involving also the inner carbonyls of complex 1, that is, in the reaction with a large excess of the isocyanides R-NC, which form the corresponding persubstituted derivatives [Pt(6)(mu-tPBu(2))(4)(CN-R)(6)](2+)[Y](2), (15-Y(2): R=tBu; 16-Y(2

  4. Self-assembly and intra-cluster reactions of erbium and ytterbium bis(2-ethylhexyl)sulfosuccinates in the gas phase.

    PubMed

    Indelicato, Serena; Bongiorno, David; Turco Liveri, Vincenzo; Mele, Andrea; Panzeri, Walter; Castiglione, Francesca; Ceraulo, Leopoldo

    2014-12-15

    The study of surfactant organization in vacuum allows surfactant-surfactant interaction to be unveiled in the absence of surrounding solvent molecules. Knowledge on their chemical-physical properties may also lead to the definition of more efficient gas-phase carriers, air-cleaning agents and nanoreactors. In addition, the presence of lanthanide-group ions adds unique photochemical properties to surfactants. The structural features, stability and fragmentation patterns of charged aggregates formed by lanthanide-functionalized surfactants, ytterbium and erbium bis(2-ethylhexyl)sulfosuccinate ((AOT)3Yb and (AOT)3Er), have been investigated by electrospray ionization mass spectrometry (ESI-MS), tandem mass spectrometry (ESI-MS/MS) and energy-resolved mass spectrometry (ER-MS). The experimental data indicate that the self-assembling of (AOT)3Yb and (AOT)3Er in the gas phase leads to the formation of a wide range of singly charged aggregates differing in their aggregation number, relative abundance and stability. In addition to specific effects on aggregate organization due to the presence of lanthanide ions, ER-MS experiments show rearrangements and in-cage reactions activated by collision, eventually including alkyl chain intra-cluster migration. Analysis of the experimental findings suggests that the observed chemical transformations occur within an organized supramolecular assembly rather than in a random association of components. The fragmentation pathways leading to the neutral loss of a fragment of nominal mass 534 Da, assigned as C28 H54 O7 S, from some positively charged aggregates has been rationalized. Copyright © 2014 John Wiley & Sons, Ltd.

  5. Nuclear Cluster Aspects in Astrophysics

    NASA Astrophysics Data System (ADS)

    Kubono, Shigeru

    2010-03-01

    The role of nuclear clustering is discussed for nucleosynthesis in stellar evolution with Cluster Nucleosynthesis Diagram (CND) proposed before. Special emphasis is placed on α-induced stellar reactions together with molecular states for O and C burning.

  6. Cluster Physics with Merging Galaxy Clusters

    NASA Astrophysics Data System (ADS)

    Molnar, Sandor

    Collisions between galaxy clusters provide a unique opportunity to study matter in a parameter space which cannot be explored in our laboratories on Earth. In the standard ΛCDM model, where the total density is dominated by the cosmological constant (Λ) and the matter density by cold dark matter (CDM), structure formation is hierarchical, and clusters grow mostly by merging. Mergers of two massive clusters are the most energetic events in the universe after the Big Bang, hence they provide a unique laboratory to study cluster physics. The two main mass components in clusters behave differently during collisions: the dark matter is nearly collisionless, responding only to gravity, while the gas is subject to pressure forces and dissipation, and shocks and turbulence are developed during collisions. In the present contribution we review the different methods used to derive the physical properties of merging clusters. Different physical processes leave their signatures on different wavelengths, thus our review is based on a multifrequency analysis. In principle, the best way to analyze multifrequency observations of merging clusters is to model them using N-body/HYDRO numerical simulations. We discuss the results of such detailed analyses. New high spatial and spectral resolution ground and space based telescopes will come online in the near future. Motivated by these new opportunities, we briefly discuss methods which will be feasible in the near future in studying merging clusters.

  7. Cold confusion

    SciTech Connect

    Chapline, G.

    1989-07-01

    On March 23 two chemists, Martin Fleischmann and Stanley Pons startled the world with a press conference at the University of Utah where they announced that they had achieved nuclear fusion at room temperatures. As evidence they cited the production of ''excess'' amounts of heat in an electrochemical apparatus and observation of neutron production. While the production of heat in a chemical apparatus is not in itself unusual the observation of neutrons is certainly extraordinary. As it turned out, though, careful measurements of the neutron production in electrochemical apparatus similar to that used by Fleischmann and Pons carried out at dozens of other laboratories has shown that the neutron production fails by many orders of magnitude to support the assertion by Fleischmann and Pons that their discovery represents a new and cheap source of fusion power. In particular, independent measurements of the neutron production rate suggest that the actual rate of fusion energy production probably does not exceed 1 trillionth of a watt. This paper discusses the feasibility that cold fusion is actually being achieved. 7 refs.

  8. Structural rearrangements induced by acid-base reactions in metal carbonyl clusters: the case of [H(3-n)Co15Pd9C3(CO)38]n- (n = 0-3).

    PubMed

    Ciabatti, Iacopo; Femoni, Cristina; Gaboardi, Mattia; Iapalucci, Maria Carmela; Longoni, Giuliano; Pontiroli, Daniele; Riccò, Mauro; Zacchini, Stefano

    2014-03-21

    The new bimetallic [HCo15Pd9C3(CO)38](2-) tri-carbide carbonyl cluster has been obtained from the reaction of [H2Co20Pd16C4(CO)48](4-) with an excess of acid in CH2Cl2 solution. The mono-hydride di-anion can be reversibly protonated and deprotonated by means of acid-base reactions leading to closely related [H(3-n)Co15Pd9C3(CO)38](n-) (n = 0-3) clusters. The crystal structures of the three anionic and the neutral clusters have been determined as their H3Co15Pd9C3(CO)38·2thf, [NEt4][H2Co15Pd9C3(CO)38]·0.5C6H14, [NMe3(CH2Ph)]2[HCo15Pd9C3(CO)38]·C6H14 and [NEt4]3[Co15Pd9C3(CO)38]·thf salts. They are composed of a Pd9(μ3-CO)2 core stabilised by three Co5C(CO)12 organometallic fragments. The poly-hydride nature of these clusters has been indirectly inferred via chemical, electrochemical and magnetic measurements. Besides, cyclic voltammetry shows that the [H(3-n)Co15Pd9C3(CO)38](n-) (n = 1-3) anions are multivalent, since they undergo two or three reversible oxidations. SQUID measurements of [HCo15Pd9C3(CO)38](2-) indicate that this even electron cluster is paramagnetic with two unpaired electrons, giving further support to its hydride nature. Finally, structural studies show that the Pd9 core of [H(3-n)Co15Pd9C3(CO)38](n-) (n = 0,1) is a tri-capped octahedron, which becomes a tri-capped trigonal prism in the more charged [H(3-n)Co15Pd9C3(CO)38](n-) (n = 2,3) anions. Such a significant structural rearrangement of the metal core of a large carbonyl cluster upon protonation-deprotonation reactions is unprecedented in cluster chemistry, and suggests that interstitial hydrides may have relevant stereochemical effects even in large carbonyl clusters.

  9. Cluster Magnetic Fields

    NASA Astrophysics Data System (ADS)

    Carilli, C. L.; Taylor, G. B.

    Magnetic fields in the intercluster medium have been measured using a variety of techniques, including studies of synchrotron relic and halo radio sources within clusters, studies of inverse Compton X-ray emission from clusters, surveys of Faraday rotation measures of polarized radio sources both within and behind clusters, and studies of cluster cold fronts in X-ray images. These measurements imply that most cluster atmospheres are substantially magnetized, with typical field strengths of order 1 μGauss with high areal filling factors out to Mpc radii. There is likely to be considerable variation in field strengths and topologies both within and between clusters, especially when comparing dynamically relaxed clusters to those that have recently undergone a merger. In some locations, such as the cores of cooling flow clusters, the magnetic fields reach levels of 10-40 μG and may be dynamically important. In all clusters the magnetic fields have a significant effect on energy transport in the intracluster medium. We also review current theories on the origin of cluster magnetic fields.

  10. [Cold-induced urticaria and angioedema. Classification, diagnosis and therapy].

    PubMed

    Krause, K; Degener, F; Altrichter, S; Ardelean, E; Kalogeromitros, D; Magerl, M; Metz, M; Siebenhaar, F; Weller, K; Maurer, M

    2010-09-01

    The onset of wheals and/or angioedema following the exposure to cold may be associated with a number of different diseases. Most frequently this occurs in cold contact urticaria, a type of physical urticaria, which is characterized by a positive cold stimulation test. The clinical symptoms are based on cold-dependent mast cell activation with subsequent release of proinflammatory mediators. In cases of negative or atypical reaction to cold stimulation testing rare acquired atypical or familiar cold urticaria forms may be suspected. Strict avoidance of cold should be recommended as far as possible. As the underlying causes of cold contact urticaria are widely unknown, the symptomatic use of non-sedating antihistamines is the treatment of first choice. The very rare familiar cold auto-inflammatory syndrome (FCAS) is based on CIAS1/NLRP3 mutations and may be treated effectively by neutralization of pathogenic interleukin 1beta.

  11. Cold weather issues in sideline and event management.

    PubMed

    McMahon, J Andrew; Howe, Allyson

    2012-01-01

    Exercise in cold environments exerts a unique physiologic stress on the human body, which, under certain conditions, may result in a cold-related injury. Environmental factors are the most important risk factors for the development of hypothermia in athletes. Frostbite occurs as a result of direct cold injury to peripheral tissues. The biggest risk for frostbite is temperature. Trench foot is a result of repeated and constant immersion in cold water. Chilblains are local erythematous or cyanotic skin lesions that develop at ambient air temperatures of 32°F to 60°F after an exposure time of about 1 to 5 h. Cold urticaria is, essentially, an allergic reaction to a cold exposure and can be controlled with avoidance of the cold. There are a number of risk factors and conditions that predispose athletes to cold injury, but exercise in the cold can be done safely with proper education and planning.

  12. Cold energy

    SciTech Connect

    Wallace, John P.

    2015-12-04

    Deviations in Q for resonant superconducting radio frequency niobium accelerator cavities are generally correlated with resistivity loss mechanisms. Field dependent Qs are not well modeled by these classical loss mechanisms, but rather can represent a form of precision cavity surface thermometry. When the field dependent Q variation shows improvement with increasing B field level the classical treatment of this problem is inadequate. To justify this behavior hydrogen as a ubiquitous impurity in niobium, which creates measurable property changes, even at very low concentrations is typically considered the cause of such anomalous behavior. This maybe the case in some instances, but more importantly any system operating with a highly coherent field with a significant time dependent magnetic component at near 2° K will have the ability to organize the remaining free spins within the London penetration depth to form a coupled energy reservoir in the form of low mass spin waves. The niobium resonant cavities are composed of a single isotope with a large nuclear spin. When the other loss mechanisms are stripped away this may be the gain medium activated by the low level residual magnetic fields. It was found that one resonant cavity heat treatment produced optimum surface properties and then functioned as a MASER extracting energy from the 2° K thermal bath while cooling the cavity walls. The cavity operating in this mode is a simulator of what can take place in the wider but not colder universe using the cosmic microwave background (CMB) as a thermal source. The low mass, long lifetimes, and the scale of the magnetic spin waves on the weakly magnetized interstellar medium allows energy to be stored that is many orders of magnitude colder than the cosmic microwave background. A linear accelerator cavity becomes a tool to explore the properties of the long wave length magnetic spin waves that populate this cold low energy regime.

  13. Cold energy

    NASA Astrophysics Data System (ADS)

    Wallace, John P.

    2015-12-01

    Deviations in Q for resonant superconducting radio frequency niobium accelerator cavities are generally correlated with resistivity loss mechanisms. Field dependent Qs are not well modeled by these classical loss mechanisms, but rather can represent a form of precision cavity surface thermometry. When the field dependent Q variation shows improvement with increasing B field level the classical treatment of this problem is inadequate. To justify this behavior hydrogen as a ubiquitous impurity in niobium, which creates measurable property changes, even at very low concentrations is typically considered the cause of such anomalous behavior. This maybe the case in some instances, but more importantly any system operating with a highly coherent field with a significant time dependent magnetic component at near 2° K will have the ability to organize the remaining free spins within the London penetration depth to form a coupled energy reservoir in the form of low mass spin waves. The niobium resonant cavities are composed of a single isotope with a large nuclear spin. When the other loss mechanisms are stripped away this may be the gain medium activated by the low level residual magnetic fields. It was found that one resonant cavity heat treatment produced optimum surface properties and then functioned as a MASER extracting energy from the 2° K thermal bath while cooling the cavity walls. The cavity operating in this mode is a simulator of what can take place in the wider but not colder universe using the cosmic microwave background (CMB) as a thermal source. The low mass, long lifetimes, and the scale of the magnetic spin waves on the weakly magnetized interstellar medium allows energy to be stored that is many orders of magnitude colder than the cosmic microwave background. A linear accelerator cavity becomes a tool to explore the properties of the long wave length magnetic spin waves that populate this cold low energy regime.

  14. Observation of heavy elements produced during explosive cold fusion

    SciTech Connect

    Matsumoto, T.; Kurokawa, K. )

    1991-11-01

    This paper reports on many-body fusion reactions that may take place during cold fusion. Heavy elements are observed that might have been produced by such reactions during electrolysis of heavy water. Elements such as sodium, magnesium, aluminum, and zinc are observed inside grain-shaped defects in a palladium rod used in a cold fusion experiment.

  15. Colds and the Flu

    MedlinePlus

    ... 2014October 2014familydoctor.org editorial staff OverviewWhat is the common cold and the flu?The common cold and the flu are viral infections of the ... have a cold or the flu?Although the common cold and the flu share many similar symptoms, they ...

  16. Cold remedies (image)

    MedlinePlus

    Sore throat, cough, stuffy nose, sneezing, runny nose, fever, chills, and muscle aches are all symptoms associated with the common cold. Over-the-counter medicines for a cold only alleviate cold symptoms but do not shorten the duration of a cold. As always, ...

  17. Facts about the Common Cold

    MedlinePlus

    ... Diseases > Lung Disease Lookup > Influenza Facts About The Common Cold What Is a Cold? Colds are minor infections ... for 10 to 40 percent of colds. Other common cold viruses include coronavirus and respiratory syncytial virus (RSV) . ...

  18. Site specific ligand substitution in cubane-type Mo3FeS(4)(4+) clusters: kinetics and mechanism of reaction and isolation of mixed ligand Cl/SPh complexes.

    PubMed

    Algarra, Andrés G; Basallote, Manuel G; Fernandez-Trujillo, M J; Llusar, Rosa; Pino-Chamorro, Jose A; Sorribes, Ivan; Vicent, Cristian

    2010-04-21

    The synthesis, crystal structure and solution characterization of the cubane-type [Mo(3)(FeCl)S(4)(dmpe)(3)Cl(3)] (1) (dmpe = 1,2-bis(dimethylphophane-ethane)) cluster are reported and the ligand substitution processes of chloride by thiophenolate investigated. The kinetics and the intimate mechanism of these substitutions reveal that compound 1 undergoes a number of Fe and Mo site specific ligand substitution reactions in acetonitrile solutions. In particular, PhS(-) coordination at the tetrahedral Fe site proceeds in a single resolved kinetic step whereas such substitutions at the Mo sites proceed more slowly. The effect of the presence of acids in the reaction media is also investigated and reveals that an acid excess hinders substitution reactions both at the Fe and Mo sites; however, an acid-promoted solvolysis of the Fe-Cl bonds is observed. Electrospray ionization (ESI) and tandem (ESI-MS/MS) mass spectrometry allow the identification of all the reaction intermediates proposed on the basis of stopped-flow measurements. The distinctive site specific reactivity made it possible to isolate two new clusters of the Mo(3)FeS(4)(4+) family featuring mixed chlorine/thiophenolate ligands, namely Mo(3)S(4)(FeSPh)(dmpe)(3)Cl(3) (2) and [Mo(3)S(4)(FeSPh)(dmpe)(3)(SPh)(3)] (3). A detailed computational study has also been carried out to understand the details of the mechanism of substitution at the M-Cl (M = Mo and Fe) bonds as well as the solvolysis at the Fe-Cl sites, with particular emphasis on the role of acids on the substitution process. The results of the calculations are in agreement with the experimental observations, thus justifying the non-existence of an accelerating effect of acids on the thiophenolate substitution reaction, which differs from previous proposals for the Fe(4)S(4) and MoFe(3)S(4) clusters and some related compounds.

  19. Cluster-cluster aggregation in binary mixtures

    NASA Astrophysics Data System (ADS)

    Alsunaidi, A.; Lach-Hab, M.; González, Agustín E.; Blaisten-Barojas, Estela

    2000-01-01

    The structure and aggregation kinetics of three-dimensional clusters composed of two different monomeric species at three concentrations are thoroughly investigated by means of extensive, large-scale computer simulations. The aggregating monomers have all the same size and occupy the cells of a cubic lattice. Two bonding schemes are considered: (a) the binary diffusion-limited cluster-cluster aggregation (BDLCA) in which only the monomers of different species stick together, and (b) the invading binary diffusion-limited cluster-cluster aggregation (IBDLCA) in which additionally monomers of one of the two species are allowed to bond. In the two schemes, the mixed aggregates display self-similarity with a fractal dimension df that depends on the relative molar fraction of the two species and on concentration. At a given concentration, when this molar fraction is small, df approaches a value close to the reaction-limited cluster-cluster aggregation of one-component systems, and when the molar fraction is 0.5, df becomes close to the value of the diffusion-limited cluster-cluster aggregation model. The crossover between these two regimes is due to a time-decreasing reaction probability between colliding particles, particularly at small molar fractions. Several dynamical quantities are studied as a function of time. The number of clusters and the weight-average cluster size display a power-law behavior only at small concentrations. The dynamical exponents are obtained for molar fractions above 0.3 but not at or below 0.2, indicating the presence of a critical transition between a gelling to a nongelling system. The cluster-size distribution function presents scaling for molar fractions larger than 0.2.

  20. Determination of the compound nucleus survival probability Psurv for various "hot" fusion reactions based on the dynamical cluster-decay model

    NASA Astrophysics Data System (ADS)

    Chopra, Sahila; Kaur, Arshdeep; Gupta, Raj K.

    2015-03-01

    After a successful attempt to define and determine recently the compound nucleus (CN) fusion/ formation probability PCN within the dynamical cluster-decay model (DCM), we introduce and estimate here for the first time the survival probability Psurv of CN against fission, again within the DCM. Calculated as the dynamical fragmentation process, Psurv is defined as the ratio of the evaporation residue (ER) cross section σER and the sum of σER and fusion-fission (ff) cross section σff, the CN formation cross section σCN, where each contributing fragmentation cross section is determined in terms of its formation and barrier penetration probabilities P0 and P . In DCM, the deformations up to hexadecapole and "compact" orientations for both in-plane (coplanar) and out-of-plane (noncoplanar) configurations are allowed. Some 16 "hot" fusion reactions, forming a CN of mass number ACN˜100 to superheavy nuclei, are analyzed for various different nuclear interaction potentials, and the variation of Psurv on CN excitation energy E*, fissility parameter χ , CN mass ACN, and Coulomb parameter Z1Z2 is investigated. Interesting results are that three groups, namely, weakly fissioning, radioactive, and strongly fissioning superheavy nuclei, are identified with Psurv, respectively, ˜1 ,˜10-6 , and ˜10-10 . For the weakly fissioning group (100

  1. Formation of Metal Clusters or Nitrogen-Bridged Adducts by Reaction of a Bis(amino)stannylene with Halides of Two-Valent Transition Metals.

    PubMed

    Veith, Michael; Müller, Alice; Stahl, Lothar; Nötzel, Martin; Jarczyk, Maria; Huch, Volker

    1996-06-19

    be isostructural. The molecules have an inner Sn(4)M pentametallic core (mean distances: Sn-Ni 2.463 Å, Sn-Pd 2.544 Å) with the transition metal in the center of a slightly distorted square formed by the four tin atoms, the distortion from planarity resulting in a weak paramagnetism of 0.2 &mgr;(B) for the nickel compound. The halogen atoms form bridges between two of the tin atoms and have no bonding interaction with the transition metal. The nickel compound has also been prepared by direct interaction of Br(2) or NR(4)Br(3) with [Me(2)Si(NtBu)(2)Sn](4)Ni as a minor product, the main products being Me(2)Si(NtBu)(2)Sn(NtBu)(2)SiMe(2,) Me(2)Si(NtBu)(2)SnBr(2), NiBr(2) and SnBr(2). Other metal clusters have been obtained by the reaction of Me(2)Si(NtBu)(2)Sn with tetrakis(triphenyphosphine)palladium or by the reaction of Me(2)Si(NtBu)(2)Ge with RhCl(PPh(3))(3). In the first case Ph(3)PPd[Sn(NtBu)(2)SiMe(2)](3)PdPPh(3) (rhombohedral, space group R3c, a = b = 21.397(12) Å, c = 57.01(5) Å, alpha = beta = 90 degrees, gamma = 120 degrees, Z = 12) is formed and is characterized by X-ray techniques to be composed of a central PdSn(3)Pd trigonal bipyramid with the tin atoms occupying the equatorial positions (Pd-Sn = 2.702(5) Å). In the second reaction all the triphenylphosphine ligands are replaced from rhodium and Rh[Ge(NtBu)(2)SiMe(2)](4)Cl is formed (monoclinic, space group P2(1)/n, a = 12.164(2) Å, b = 23.625(5) Å, c = 24.128(5) Å, beta = 102.74(3) degrees, Z = 4). The central core of this molecule is made up of a rhodium atom which is almost square planarly coordinated by the germanium atoms, two of which are bridged by chlorine (mean Ge-Rh = 2.355 Å).

  2. Preparation of the triiron phosphinidene-imido clusters Fe[sub 3]([mu][sub 3]-PBu[sup t])([mu][sub 3]-NR)(CO)[sub 9] (R = Et, Ph) and their reactions with alkynes

    SciTech Connect

    Song, Jeongsup; Geoffroy, G.L. ); Rheingold, A.L. )

    1992-04-15

    The compounds Fe[sub 3]([mu][sub 3]-PBu[sup t])([mu][sub 3]-NR)(CO)[sub 9] (R = Ph (2a), Et (2b)), which are the first examples of clusters possessing both capping imido and phosphinidene ligands, have been prepared in good yield by the photochemical reaction of the corresponding H[sub 2]Fe[sub 3]([mu][sub 3]-NR)(CO)[sub 9] cluster with Bu[sup t]PCl[sub 2]. Cluster 2a has been crystallographically characterized: C[sub 19]H[sub 14]NO[sub 9]PFe[sub 3], orthorhombic,. Like Fe[sub 3]([mu][sub 3]-NPh)[sub 2](CO)[sub 9], the cluster consists of an isosceles triangle of iron atoms with two Fe-Fe bonds and with capping phosphinidene and imido ligands above and below the metal triangle. Both clusters have been observed to react with alkynes to give a variety of products, the most interesting of which is the binuclear compound Fe[sub 2]([mu][sub 2],[eta][sup 3]-PhNC(Ph) [double bond] C(Ph)PBu[sup t])([mu][sub 2],[eta][sup 4]PhC [double bond] C(Ph)C(Ph) [double bond] CPh)(CO)[sub 4] (3) which results from the reaction of PhC [triple bond] C(Ph)PBu[sup t] ligand formed by insertion of the alkyne between the phosphinidene and imido ligands and also has a ferracyclopentadiene ligand formed by coupling of two additional alkynes: C[sub 56]H[sub 44]NO[sub 4]PFe[sub 2], triclinic.

  3. Properties and uses of cold neutron beams

    SciTech Connect

    Clark, David D.

    1992-07-01

    Cold neutrons are conventionally defined as those with energy below 0.005 eV; the corresponding velocity and wavelength arc 980 m/s and 4 angstroms. The first extensive use of cold neutrons was in the 1960's by condensed matter physicists for investigations of spatial structure and internal dynamics of solids and liquids. Different experiments place different requirements on neutron beams, but it is usually advantageous to eliminate the faster neutrons and the gamma rays that are present in normal reactor beams. Several types of filters that pass only the low-energy portion of an incident Maxwellian spectrum have been developed and will be discussed. Examples include single crystal quartz or bismuth (room temperature or cooled), polycrystalline beryllium, and neutron guides. For any of these shifting the incident neutrons to a lower energy spectrum by use of a cold moderator leads to large increases in the intensity of cold neutrons. The properties of the beams resulting from the particular combination of a cold moderator and a neutron guide will be discussed. These include the changes in beam intensity and spectral shape as warm neutrons in a typical reactor spectrum first interact with a cold moderator and then pass through a straight or curved neutron guide. The spatial and angular distribution of the neutrons at the exit of the guide will be described. One further important effect for cold neutron beam experiments involving nuclear reactions is the increase in reaction rates because of the usual 1/v dependence of reaction cross sections and another is the considerable simplification with cold neutrons in the problems of collimating, shielding, and stopping the beam. The resulting benefits for studies of nuclear energy levels by neutron capture gamma-ray and conversion electron experiments and for the analysis of materials by PGNAA will be discussed. Neutron depth profiling is also improved with cold neutrons. (author)

  4. Reactions of N{sub 2}O{sub 5} with protonated water clusters H{sup +}(H{sub 2}O){sub n}, n = 3-30

    SciTech Connect

    Wincel, H.; Mereand, E.; Castleman, A.W. Jr.

    1994-09-01

    Reactions of N{sub 2}O{sub 5} with protonated and deuterated water clusters X{sup +}(X{sub 2}O){sub n=3-30}, X = H or D, were studied at temperatures ranging from 128 to 300 K and at pressures between 0.23 and 0.66 Torr using a fast-flow apparatus. For cluster ions with n >= 5, the reaction X{sup +}(X{sub 2}O){sub n} + N{sub 2}O{sub 5} {yields} X{sup +}(X{sub 2}O){sub n-1} XNO{sub 3} + XNO{sub 3} was observed to occur at temperatures below 150 K. At somewhat larger values of n which were acquired at temperatures about 130 K, the product ions X{sup +}(X{sub 2}O){sub n-2}(XNO{sub 3}){sub 2} and X{sup +}(X{sub 2}O){sub n-3}(XNO{sub 3}){sub 3} were also observed. The rate constants of the thermal energy reactions of N{sub 2}O{sub 5} with X{sup +}(X{sub 2}O){sub n=5-21} were found to display both a size and pressure dependence. The present work gives the first experimental evidence for the reaction between large protonated water clusters (n >= 5) and N{sub 2}O{sub 5} under laboratory conditions, and the results provide further information for unraveling the chemistry of the upper atmosphere. 20 refs., 6 figs.

  5. Chemistry of large hydrated anion clusters X sup minus (H sub 2 O) sub n , n = 0-59 and X = OH, O, O sub 2 , and O sub 3. 2. Reaction of CH sub 3 CN

    SciTech Connect

    Yang, X.; Zhang, X.; Castleman, A.W. Jr. )

    1991-10-31

    The kinetics and mechanisms of the gas-phase reactions of acetonitrile with large hydrated anion clusters X{sup {minus}}(H{sub 2}O){sub n = 0-59}, X = OH, O, O{sub 2}, and O{sub 3}, were studied in a fast flow reactor under thermal conditions. OH{sup {minus}}(H{sub 2}O){sub n = 0-1} react with CH{sub 3}CN at near collision rate via proton-transfer and ligand-switching mechanisms; further hydration greatly reduces the reactivity of OH{sup {minus}}(H{sub 2}O){sub n>1} due to the thermodynamic instability of the products compared to the reactants. On the contrary, for all cluster sizes studied, O{sup {minus}}(H{sub 2}O){sub n} reacts with CH{sub 3}CN at near the collision rate via a hydrogen transfer from acetonitrile to the anion clusters. A new reaction channel was found for the reaction of O{sup {minus}} with CH{sub 3}CN to form CHCN{sup {minus}}, which can react further with CH{sub 3}CN to form CH{sub 2}CN and CH{sub 2}CN{sup {minus}}. Only very slow associations were observed for the reactions of O{sub 2}{sup {minus}} and O{sub 3}{sup {minus}} and their hydrates. The possible application of the present experimental results to an understanding of the hydrolysis mechanism of C H{sub 3}CN in aqueous solution in the presence of OH{sup {minus}} and protons as a catalyst is also discussed.

  6. Toxicity evaluation and hazard review Cold Smoke

    SciTech Connect

    Archuleta, M.M.; Stocum, W.E.

    1993-12-01

    Cold Smoke is a dense white smoke produced by the reaction of titanium tetrachloride and aqueous ammonia aerosols. Early studies on the toxicity of this nonpyrotechnically generated smoke indicated that the smoke itself is essentially non-toxic (i.e. exhibits to systemic toxicity or organ damage due to exposure) under normal deployment conditions. The purpose of this evaluation was to review and summarize the recent literature data available on the toxicity of Cold Smoke, its chemical constituents, and its starting materials.

  7. Transfer reactions with heavy elements

    SciTech Connect

    Hoffman, D.C.

    1986-04-01

    Transfer reactions for several transuranium elements are studied. (/sup 248/Cm, /sup 249/Bk, /sup 249/CF, /sup 254/Es), /sup 16,18/O, /sup 20,22/Ne, and /sup 40,48/Ca projectiles are used. The production of neutron-rich heavy actinides is enhanced by the use of neutron-rich projectiles /sup 18/O and /sup 22/Ne. The maxima of the isotopic distributions occur at only 2 to 3 mass numbers larger for /sup 48/Ca than for /sup 40/Ca reactions with /sup 248/Cm. The cross sections decrease rapidly with the number of nucleons transferred. The use of neutron-rich targets favors the production of neutron-rich isotopes. ''Cold'' heavy targets are produced. Comparisons with simple calculations of the product excitation energies assuming binary transfers indicate that the maxima of the isotopic distributions occur at the lightest product isotope for which the energy exceeds the reaction barrier. The cross sections for transfer of the same nucleon clusters appear to be comparable for a wide variety of systems. 23 refs., 4 figs., 4 tabs.

  8. Cancer Clusters

    MedlinePlus

    ... Genetics Services Directory Cancer Prevention Overview Research Cancer Clusters On This Page What is a cancer cluster? ... the number of cancer cases in the suspected cluster Many reported clusters include too few cancer cases ...

  9. Cold Stress and the Cold Pressor Test

    ERIC Educational Resources Information Center

    Silverthorn, Dee U.; Michael, Joel

    2013-01-01

    Temperature and other environmental stressors are known to affect blood pressure and heart rate. In this activity, students perform the cold pressor test, demonstrating increased blood pressure during a 1- to 2-min immersion of one hand in ice water. The cold pressor test is used clinically to evaluate autonomic and left ventricular function. This…

  10. Cold Stress and the Cold Pressor Test

    ERIC Educational Resources Information Center

    Silverthorn, Dee U.; Michael, Joel

    2013-01-01

    Temperature and other environmental stressors are known to affect blood pressure and heart rate. In this activity, students perform the cold pressor test, demonstrating increased blood pressure during a 1- to 2-min immersion of one hand in ice water. The cold pressor test is used clinically to evaluate autonomic and left ventricular function. This…

  11. Reactions of Metal-Metal Multiple Bonds. 14. Synthesis and Characterization of Triangulo-W3 and Mo2W-oxo Capped Alkoxide Clusters. Comproportionation of M-M Triple Bonds, sigma(2)pi(4) and d(o) Metal-oxo Groups: M Triple Bond M + M Triple Bond O Yields M3(micron 3-O).

    DTIC Science & Technology

    1984-05-02

    INDU/DC/TR-84/1-MC REACTIONS OF METAL-METAL MULTIPLE BONDS. 14. SYNTHESIS AND CHARACTERIZATION OF TRIANGULO -W 3 AND Mo2W-oxo CAPPED ALKOXIDE CLUSTERS...Mtal-Metal Multiple Bonds. 14. Syn- Technical Report 1984 thesis and Characterization of Triangulo -W 3 and 0Mo2W-oxo Capped Alkoxide Clusters...block number) triangulo metal atom clusters, molybdenum, tungsten, alkoxide, oxo, electronic structure, electrochemistry, UV-visible spectroscopy 20

  12. Collision-Induced Dissociation of Electrosprayed NaCl Clusters: Using Molecular Dynamics Simulations to Visualize Reaction Cascades in the Gas Phase

    NASA Astrophysics Data System (ADS)

    Schachel, Tilo D.; Metwally, Haidy; Popa, Vlad; Konermann, Lars

    2016-11-01

    Infusion of NaCl solutions into an electrospray ionization (ESI) source produces [Na( n+1)Cl n ]+ and other gaseous clusters. The n = 4, 13, 22 magic number species have cuboid ground state structures and exhibit elevated abundance in ESI mass spectra. Relatively few details are known regarding the mechanisms whereby these clusters undergo collision-induced dissociation (CID). The current study examines to what extent molecular dynamics (MD) simulations can be used to garner insights into the sequence of events taking place during CID. Experiments on singly charged clusters reveal that the loss of small neutrals is the dominant fragmentation pathway. MD simulations indicate that the clusters undergo extensive structural fluctuations prior to decomposition. Consistent with the experimentally observed behavior, most of the simulated dissociation events culminate in ejection of small neutrals ([NaCl] i , with i = 1, 2, 3). The MD data reveal that the prevalence of these dissociation channels is linked to the presence of short-lived intermediates where a relatively compact core structure carries a small [NaCl] i protrusion. The latter can separate from the parent cluster via cleavage of a single Na-Cl contact. Fragmentation events of this type are kinetically favored over other dissociation channels that would require the quasi-simultaneous rupture of multiple electrostatic contacts. The CID behavior of NaCl cluster ions bears interesting analogies to that of collisionally activated protein complexes. Overall, it appears that MD simulations represent a valuable tool for deciphering the dissociation of noncovalently bound systems in the gas phase.

  13. Collision-Induced Dissociation of Electrosprayed NaCl Clusters: Using Molecular Dynamics Simulations to Visualize Reaction Cascades in the Gas Phase.

    PubMed

    Schachel, Tilo D; Metwally, Haidy; Popa, Vlad; Konermann, Lars

    2016-11-01

    Infusion of NaCl solutions into an electrospray ionization (ESI) source produces [Na(n+1)Cl n ](+) and other gaseous clusters. The n = 4, 13, 22 magic number species have cuboid ground state structures and exhibit elevated abundance in ESI mass spectra. Relatively few details are known regarding the mechanisms whereby these clusters undergo collision-induced dissociation (CID). The current study examines to what extent molecular dynamics (MD) simulations can be used to garner insights into the sequence of events taking place during CID. Experiments on singly charged clusters reveal that the loss of small neutrals is the dominant fragmentation pathway. MD simulations indicate that the clusters undergo extensive structural fluctuations prior to decomposition. Consistent with the experimentally observed behavior, most of the simulated dissociation events culminate in ejection of small neutrals ([NaCl] i , with i = 1, 2, 3). The MD data reveal that the prevalence of these dissociation channels is linked to the presence of short-lived intermediates where a relatively compact core structure carries a small [NaCl] i protrusion. The latter can separate from the parent cluster via cleavage of a single Na-Cl contact. Fragmentation events of this type are kinetically favored over other dissociation channels that would require the quasi-simultaneous rupture of multiple electrostatic contacts. The CID behavior of NaCl cluster ions bears interesting analogies to that of collisionally activated protein complexes. Overall, it appears that MD simulations represent a valuable tool for deciphering the dissociation of noncovalently bound systems in the gas phase. Graphical Abstract ᅟ.

  14. Cold Weather Pet Safety

    MedlinePlus

    ... accordingly. You will probably need to shorten your dog’s walks in very cold weather to protect you ... slipping and falling. Long-haired or thick-coated dogs tend to be more cold-tolerant, but are ...

  15. Cold and Cough Medicines

    MedlinePlus

    ... What can you do for your cold or cough symptoms? Besides drinking lots of fluids and getting ... medicines. There are lots of different cold and cough medicines, and they do different things. Nasal decongestants - ...

  16. Vitamin C and colds

    MedlinePlus

    ... belief is that vitamin C can cure the common cold . However, research about this claim is conflicting. Although ... Fashner J, Ericson K, Werner S. Treatment of the common cold in children and adults. Am Fam Physician. 2012; ...

  17. Cold medicines and children

    MedlinePlus

    ... aspx . Accessed July 26, 2016. Cherry JD. The common cold. In: Cherry JD, Harrison GJ, Kaplan SL, Steinbach ... 2014:chap 7. Miller EK, Williams JV. The common cold. In: Kliegman RM, Stanton BF, St. Geme JW, ...

  18. Cold knife cone biopsy

    MedlinePlus

    ... biopsy; Pap smear - cone biopsy; HPV - cone biopsy; Human papilloma virus - cone biopsy; Cervix - cone biopsy; Colposcopy - cone biopsy Images Female reproductive anatomy Cold cone biopsy Cold cone removal References American ...

  19. Characterizing convective cold pools

    NASA Astrophysics Data System (ADS)

    Drager, Aryeh J.; van den Heever, Susan C.

    2017-06-01

    Cold pools produced by convective storms play an important role in Earth's climate system. However, a common framework does not exist for objectively identifying convective cold pools in observations and models. The present study investigates convective cold pools within a simulation of tropical continental convection that uses a cloud-resolving model with a coupled land-surface model. Multiple variables are assessed for their potential in identifying convective cold pool boundaries, and a novel technique is developed and tested for identifying and tracking cold pools in numerical model simulations. This algorithm is based on surface rainfall rates and radial gradients in the density potential temperature field. The algorithm successfully identifies near-surface cold pool boundaries and is able to distinguish between connected cold pools. Once cold pools have been identified and tracked, composites of cold pool evolution are then constructed, and average cold pool properties are investigated. Wet patches are found to develop within the centers of cold pools where the ground has been soaked with rainwater. These wet patches help to maintain cool surface temperatures and reduce cold pool dissipation, which has implications for the development of subsequent convection.

  20. The common cold.

    PubMed

    2009-02-01

    1) Most colds are due to viruses and resolve spontaneously after a few days. Available drugs do not modify the course of a viral cold; 2) Some drugs used to treat colds carry a risk of serious adverse effects. This includes nasal sprays, especially vasoconstrictors such as pseudo-ephedrine and, in young children, menthol, camphor, and terpene derivatives.

  1. Coping with Cold Sores

    MedlinePlus

    ... found inside the mouth.) What Causes Cold Sores? Cold sores are caused by a virus called herpes (say: HUR-peez). Herpes is one ... the world. The medical name for the specific virus that causes cold sores is herpes simplex. There are two types ...

  2. Dissociative Excitation Transfer in the Reaction of O2(a(1)delta(g)) with OH-(H2O)1,2 Clusters

    DTIC Science & Technology

    2009-09-04

    much more rapidly than in diatomic ions . In hun- dreds of reactions studied, the curvature typical of excited states is not present for polyatomic ...with a variety of anions in a selected ion flow tube (SIFT).1"’ In these experiments, 02(a’As) and 02(X 3Ip were produced in a chemical reaction1...estimated from ion -quadrupole capture theory. ~ We discuss the possibility of whether the reaction then proceeds sequentially, OH"(H20) + 02(a’ A

  3. The Resistance of Electron Transport Chain Fe-S Clusters to Oxidative Damage during the Reaction of Peroxynitrite with Mitochondrial Complex II and Rat Heart Pericardium

    PubMed Central

    Pearce, Linda L.; Martinez-Bosch, Sandra; Manzano, Elisenda Lopez; Winnica, Daniel E.; Epperly, Michael W.; Peterson, Jim

    2009-01-01

    The effects of peroxynitrite and nitric oxide on the iron-sulfur clusters in complex II (succinate dehydrogenase) isolated from bovine heart have been studied primarily by EPR spectroscopy and no measurable damage to the constitutive 2Fe-2S, 3Fe-4S, or 4Fe-4S clusters was observed. The enzyme can be repeatedly oxidized with a slight excess of peroxynitrite and then quantitatively re-reduced with succinate. When added in large excess, peroxynitrite reacted with at least one tyrosine in each subunit of complex II to form 3-nitrotyrosines, but activity was barely compromised. Examination of rat-heart pericardium subjected to conditions leading to peroxynitrite production showed a small inhibition of complex II (16%) and a greater inhibition of aconitase (77%). In addition, experiments performed with excesses of sodium citrate and sodium succinate on rat-heart pericardium indicated that the “g ~2.01” EPR signal observed immediately following the beginning of conditions modeling oxidative/nitrosative stress, could be a consequence of both reversible oxidation of the constitutive 3Fe-4S cluster in complex II and degradation of the 4Fe-4S cluster in aconitase. However, the net signal envelope, which becomes apparent in less than one minute following the start of oxidative/nitrosative conditions, is dominated by the component arising from complex II. Taking into account the findings of a previous study concerning complexes I and III [L.L. Pearce, A.J. Kanai, M.W. Epperly, J. Peterson (2005) Nitric Oxide 13, 254-63] it is now apparent that, with the exception of the cofactor in aconitase, mammalian (mitochondrial) iron-sulfur clusters are surprisingly resistant to degradation stemming from oxidative/nitrosative stress. PMID:19118636

  4. Cough and Cold Medicine Abuse

    MedlinePlus

    ... Home » Publications » DrugFacts » Cough and Cold Medicine Abuse Cough and Cold Medicine Abuse Email Facebook Twitter Revised ... syrup is sometimes diverted for abuse. How Are Cough and Cold Medicines Abused? Cough and cold medicines ...

  5. H-cluster stars

    NASA Astrophysics Data System (ADS)

    Lai, X. Y.; Gao, C. Y.; Xu, R. X.

    2013-06-01

    The study of dense matter at ultrahigh density has a very long history, which is meaningful for us to understand not only cosmic events in extreme circumstances but also fundamental laws of physics. It is well known that the state of cold matter at supranuclear density depends on the non-perturbative nature of quantum chromodynamics (QCD) and is essential for modelling pulsars. A so-called H-cluster matter is proposed in this paper as the nature of dense matter in reality. In compact stars at only a few nuclear densities but low temperature, quarks could be interacting strongly with each other there. That might render quarks grouped in clusters, although the hypothetical quark clusters in cold dense matter have not been confirmed due to the lack of both theoretical and experimental evidence. Motivated by recent lattice QCD simulations of the H-dibaryons (with structure uuddss), we therefore consider here a possible kind of quark clusters, H-clusters, that could emerge inside compact stars during their initial cooling as the dominant components inside (the degree of freedom could then be H-clusters there). Taking into account the in-medium stiffening effect, we find that at baryon densities of compact stars H-cluster matter could be more stable than nuclear matter. We also find that for the H-cluster matter with lattice structure, the equation of state could be so stiff that it would seem to be `superluminal' in the most dense region. However, the real sound speed for H-cluster matter is in fact difficult to calculate, so at this stage we do not put constraints on our model from the usual requirement of causality. We study the stars composed of H-clusters, i.e. H-cluster stars, and derive the dependence of their maximum mass on the in-medium stiffening effect, showing that the maximum mass could be well above 2 M⊙ as observed and that the resultant mass-radius relation fits the measurement of the rapid burster under reasonable parameters. Besides a general

  6. Gas Density Discontinuities in Merging Clusters

    NASA Technical Reports Server (NTRS)

    Mushotzky, Richard (Technical Monitor); Markevitch, Maxim

    2005-01-01

    Chandra has discovered a new phenomenon in galaxy clusters, the sharp gas density edges. Depending on the sign of the temperature jump across the edge, these features may either be bow shocks or cold fronts. While bow shocks obviously are driven by merging sub-clusters, what causes cold fronts is not entirely clear, as they are observed both in mergers and in relaxed clusters. The purpose of the XMM study of A3376, an interesting cluster with density edges, is to understand the origin of cold fronts and to look for possible shocks. The XMM data for A3376 have been mostly analyzed (the X-ray edge turned out to be a cold front). Preliminary results have been shown at a conference and a paper is in preparation. We also have Chandra data for this cluster, and are comparing and combining the two datasets. In the course of analyzing the X-ray data for this cluster as well as several others, it has become apparent that we need the help of hydrodynamic simulations to study the precise mechanism by which cold fronts are formed, the main goal of the present project. A postdoc (Yago Ascasibar) is currently running SPH simulations of an idealized sub- cluster merger. These advanced simulations are nearing completion and two papers with their results are in preparation.

  7. Coupling Sub-Nanometric Copper Clusters with Quasi-Amorphous Cobalt Sulfide Yields Efficient and Robust Electrocatalysts for Water Splitting Reaction.

    PubMed

    Liu, Yipu; Li, Qiuju; Si, Rui; Li, Guo-Dong; Li, Wang; Liu, Da-Peng; Wang, Dejun; Sun, Lei; Zhang, Yu; Zou, Xiaoxin

    2017-04-01

    Superefficient water-splitting materials comprising sub-nanometric copper clusters and quasi-amorphous cobalt sulfide supported on copper foam are reported. While working together at both the anode and cathode sides of an alkaline electrolyzer, this material gives a catalytic output of overall water splitting comparable with the Pt/C-IrO2 -coupled electrolyzer. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. How cold is cold dark matter?

    SciTech Connect

    Armendariz-Picon, Cristian; Neelakanta, Jayanth T. E-mail: jtneelak@syr.edu

    2014-03-01

    If cold dark matter consists of particles, these must be non-interacting and non-relativistic by definition. In most cold dark matter models however, dark matter particles inherit a non-vanishing velocity dispersion from interactions in the early universe, a velocity that redshifts with cosmic expansion but certainly remains non-zero. In this article, we place model-independent constraints on the dark matter temperature to mass ratio, whose square root determines the dark matter velocity dispersion. We only assume that dark matter particles decoupled kinetically while non-relativistic, when galactic scales had not entered the horizon yet, and that their momentum distribution has been Maxwellian since that time. Under these assumptions, using cosmic microwave background and matter power spectrum observations, we place upper limits on the temperature to mass ratio of cold dark matter today (away from collapsed structures). These limits imply that the present cold dark matter velocity dispersion has to be smaller than 54 m/s. Cold dark matter has to be quite cold, indeed.

  9. Extensive regularization of the coupled cluster methods based on the generating functional formalism: Application to gas-phase benchmarks and to the SN2 reaction of CHCl3 and OH- in water

    NASA Astrophysics Data System (ADS)

    Kowalski, Karol; Valiev, Marat

    2009-12-01

    The recently introduced energy expansion based on the use of generating functional (GF) [K. Kowalski and P. D. Fan, J. Chem. Phys. 130, 084112 (2009)] provides a way of constructing size-consistent noniterative coupled cluster (CC) corrections in terms of moments of the CC equations. To take advantage of this expansion in a strongly interacting regime, the regularization of the cluster amplitudes is required in order to counteract the effect of excessive growth of the norm of the CC wave function. Although proven to be efficient, the previously discussed form of the regularization does not lead to rigorously size-consistent corrections. In this paper we address the issue of size-consistent regularization of the GF expansion by redefining the equations for the cluster amplitudes. The performance and basic features of proposed methodology are illustrated on several gas-phase benchmark systems. Moreover, the regularized GF approaches are combined with quantum mechanical molecular mechanics module and applied to describe the SN2 reaction of CHCl3 and OH- in aqueous solution.

  10. Extensive regularization of the coupled cluster methods based on the generating functional formalism: application to gas-phase benchmarks and to the SN2 reaction of CHCl3 and OH- in water.

    PubMed

    Kowalski, Karol; Valiev, Marat

    2009-12-21

    The recently introduced energy expansion based on the use of generating functional (GF) [K. Kowalski and P. D. Fan, J. Chem. Phys. 130, 084112 (2009)] provides a way of constructing size-consistent noniterative coupled cluster (CC) corrections in terms of moments of the CC equations. To take advantage of this expansion in a strongly interacting regime, the regularization of the cluster amplitudes is required in order to counteract the effect of excessive growth of the norm of the CC wave function. Although proven to be efficient, the previously discussed form of the regularization does not lead to rigorously size-consistent corrections. In this paper we address the issue of size-consistent regularization of the GF expansion by redefining the equations for the cluster amplitudes. The performance and basic features of proposed methodology are illustrated on several gas-phase benchmark systems. Moreover, the regularized GF approaches are combined with quantum mechanical molecular mechanics module and applied to describe the S(N)2 reaction of CHCl(3) and OH(-) in aqueous solution.

  11. DFT study of the formation mechanism of anthraquinone from the reaction of NO2 and anthracene on NaCl clusters: the role of NaNO3.

    PubMed

    Luo, Chao; Yu, Qiming; Wang, Hongming

    2016-12-08

    Polycyclic aromatic hydrocarbons (PAHs) and oxygenated-PAHs are globally worrisome air pollutants because of their highly direct-acting mutagenicity and carcinogenicity. The formation of oxygenated-PAHs is of crucial importance for the prevention of their atmospheric pollution successfully. In this paper, the formation mechanism of oxygenated-PAHs from the heterogeneous reaction of NO2 with anthracene on the surface of NaCl was studied by density functional theory (DFT) calculations. At first, the various adsorption configurations of NO2 and N2O4 on NaCl were investigated. The chemical conversion mechanisms among these configurations were also investigated. It is found that these structures can easily interconvert due to their low energy barriers. NaNO3 was found to be the main product of the reaction of NO2/N2O4 on NaCl. Then the oxidation mechanism of anthracene by NO2 on the NaCl surface showed that NaNO3 is able to oxidize anthracene and plays a catalytic role in the reaction process. This means that the formation of NaNO3 is very important to promote the formation of 9,10-anthraquinone from the heterogeneous reaction of NO2 with anthracene. Our calculations also showed that the introduction of water can greatly accelerate this reaction process.

  12. Decay of {sup 118,122}Ba* compound nuclei formed in {sup 78,82}Kr+{sup 40}Ca reactions using the dynamical cluster-decay model of preformed clusters

    SciTech Connect

    Kumar, Raj; Gupta, Raj K.

    2009-03-15

    Application of the preformed clusters based dynamical cluster-decay model (DCM) is made to the recent data on decay of the compound systems {sup 118,122}Ba* at a relatively low bombarding energy of 5.5 MeV/A. The same model has been applied earlier to the intermediate mass fragment (IMF) data of {sup 116}Ba*, observed at medium and higher incident energies. For the heavier {sup 118,122}Ba* systems, however, a complete mass fragmentation spectrum is observed experimentally. Except for a small narrow region of heavier mass fragments (8{<=}Z{sub L}{<=}15), the DCM gives an overall reasonable description of the observed data on both the intermediate mass fragments and the fusion-fission cross-sections, whereas the statistical model calculations based on BUSCO and GEMINI codes describe the intermediate mass fragment data and the heavier mass fragment and fusion-fission data, respectively. Within the DCM (with preformation factor P{sub 0}=1), the possibility of non-compound-nucleus decay contributing to the region 8{<=}Z{sub L}{<=}15 of heavier mass fragments is also explored. All three models use the maximum angular momentum l{sub max} as a fitting parameter, which in the DCM is fixed via a neck-length parameter for the penetrability P{yields}1.

  13. Cluster headache

    MedlinePlus

    Histamine headache; Headache - histamine; Migrainous neuralgia; Headache - cluster; Horton's headache; Vascular headache - cluster ... Doctors do not know exactly what causes cluster headaches. They ... (chemical in the body released during an allergic response) or ...

  14. Combined temperature-programmed reaction and in-situ x-ray scattering studies of size-selected silver clusters under realistic reaction conditions in the epoxidation of propene.

    SciTech Connect

    Vajda, S.; Lee, S.; Sell, K.; Barke, I.; Kleibert, A.; von Oeynhausen, V.; Meiwes-Broer, K. H.; Rodriguez, A. F.; Elam, J. W.; Pellin, M. M.; Lee, B.; Seifert, S.; Winans, R. W.; Yale Univ.; Univ. Rostock; Swiss Light Source

    2009-09-28

    The catalytic activity and dynamical shape changes in size-selected nanoclusters at work are studied under realistic reaction conditions by using a combination of simultaneous temperature-programmed reaction with in situ grazing-incidence small angle x-ray scattering. This approach allows drawing a direct correlation between nanocatalyst size, composition, shape, and its function under realistic reaction conditions for the first time. The approach is illustrated in a chemical industry highly relevant selective partial oxidation of propene on a monodisperse silver nanocatalyst. The shape of the catalyst undergoes rapid change already at room temperature upon the exposure to the reactants, followed by a complex evolution of shape with increasing temperature. Acrolein formation is observed around 50 C while the formation of the propylene oxide exhibits a sharp onset at 80 C and is leveling off at 150 C. At lower temperatures acrolein is produced preferentially to propylene oxide; at temperatures above 100 C propylene oxide is favored.

  15. Cold nuclear fusion

    NASA Astrophysics Data System (ADS)

    Tsyganov, E. N.; Bavizhev, M. D.; Buryakov, M. G.; Dabagov, S. B.; Golovatyuk, V. M.; Lobastov, S. P.

    2015-07-01

    If target deuterium atoms were implanted in a metal crystal in accelerator experiments, a sharp increase in the probability of DD-fusion reaction was clearly observed when compared with the reaction's theoretical value. The electronic screening potential, which for a collision of free deuterium atoms is about 27 eV, reached 300-700 eV in the case of the DD-fusion in metallic crystals. These data leads to the conclusion that a ban must exist for deuterium atoms to be in the ground state 1s in a niche filled with free conduction electrons. At the same time, the state 2p whose energy level is only 10 eV above that of state 1s is allowed in these conditions. With anisotropy of 2p, 3p or above orbitals, their spatial positions are strictly determined in the lattice coordinate system. When filling out the same potential niches with two deuterium atoms in the states 2p, 3p or higher, the nuclei of these atoms can be permanently positioned without creating much Coulomb repulsion at a very short distance from each other. In this case, the transparency of the potential barrier increases dramatically compared to the ground state 1s for these atoms. The probability of the deuterium nuclei penetrating the Coulomb barrier by zero quantum vibration of the DD-system also increases dramatically. The so-called cold nuclear DD-fusion for a number of years was registered in many experiments, however, was still rejected by mainstream science for allegedly having no consistent scientific explanation. Finally, it received the validation. Below, we outline the concept of this explanation and give the necessary calculations. This paper also considers the further destiny of the formed intermediate state of 4He∗.

  16. Microscopic observations of palladium used for cold fusion

    SciTech Connect

    Matsumoto, T. )

    1991-05-01

    This paper examines the microscopic structures of palladium metals used for cold fusion experiments. Tiny spot defects suggesting cold fusion have been observed in grain boundaries as the Nattoh model predicts. The relationship between these defects and a series of neutron busts and an indirect loop of hydrogen chain reactions are discussed.

  17. Cold fusion: The scientific fiasco of the century

    SciTech Connect

    Huizenga, J.R.

    1992-01-01

    A summary of the cold fusion fiasco, its history, claims, experimental questions, are presented in this book. The author gives in some detail good reasons why cold fusion has been disregarded by mainstream science. Disturbing questions about the behavior of scientific investigators and reactions to such events are raised.

  18. Possible resonant mechanism of cold fusion

    SciTech Connect

    Zakowicz, W. )

    1991-01-01

    This paper discusses a hypothesis of resonant deuteron-deuteron interaction under cold fusion conditions. The resonance may exist due to a combination of an attractive nuclear interaction at close distances and a repulsive Coulomb potential at large distances. The energy of such resonances may be very low. This effect may increase the reaction cross section and reaction rates in high-density deuteron hydrides.

  19. CLUSTER CHEMISTRY

    SciTech Connect

    Muetterties, Earl L.

    1980-05-01

    Metal cluster chemistry is one of the most rapidly developing areas of inorganic and organometallic chemistry. Prior to 1960 only a few metal clusters were well characterized. However, shortly after the early development of boron cluster chemistry, the field of metal cluster chemistry began to grow at a very rapid rate and a structural and a qualitative theoretical understanding of clusters came quickly. Analyzed here is the chemistry and the general significance of clusters with particular emphasis on the cluster research within my group. The importance of coordinately unsaturated, very reactive metal clusters is the major subject of discussion.

  20. Role of (H2O)(n) (n = 2-3) Clusters on the HO2 + O3 Reaction: A Theoretical Study.

    PubMed

    Viegas, Luís P; Varandas, António J C

    2016-03-03

    We report a theoretical investigation on the role of the water dimer and trimer in the reaction between the hydroperoxyl radical and ozone. This study is part of an ongoing series of research endeavors that intend to deliver a comprehensive understanding on the role of water on this reaction. Due to the complexity of the potential energy surface, and to be able to make comparisons with our previous works, our calculations have employed model chemistries based on the Kohn-Sham DFT formalism. It is found that the calculated reaction paths share a common scheme, not only in the context of this work, but also in consideration of our previous studies. Also, oxygen-abstraction barriers are always submerged, with the relative energy between the hydrogen- and oxygen-abstraction saddle-points increasing with the number of water molecules, which maintain an apparent spectator role. Finally, we report novel HO2···(H2O)3 and HO3···(H2O)n complexes originating from our reaction schemes.