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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 55 records · Page 3

CO 2 Hydrogenation to Methanol over ZrO 2 -Containing Catalysts: Insights into ZrO 2 Induced Synergy

Catalytic hydrogenation of CO 2 with renewable H 2 to methanol represents a promising pathway for reducing anthropogenic CO 2 emissions. Catalysts play a key role in enhancing both the hydrogenation rate and methanol selectivity. ZrO 2 is a promising catalyst support, promoter and even active species for CO 2 hydrogenation due to its versatile properties and weak hydrophilic character. Over the past decades substantial progress has been made in designing high performance catalysts and understanding the hydrogenation mechanisms over ZrO 2 -supported catalysts. ZrO 2 interacts with metals and/or other oxides and consequently may affect the CO 2 adsorption and activation, enhance the dissociation of H 2 and spillover of atomic hydrogen, change the reaction pathways and/or the binding of key reaction intermediates for further conversion. The synergistic effects induced by ZrO 2 could be achieved by improving the metal dispersion, modifying surface basicity and interacting with other components (metals, cosupports or promoters). However, although experimental and computational investigations have been extensively performed, the multiple roles of ZrO 2 in the catalytic process are still under debate. In the current Perspective, we use ZrO 2 -containing catalysts as a model system to elucidate the governing principles for designing high performance catalysts with multiple active components for CO 2 hydrogenation to methanol.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Low scale left-right symmetry and warm dark matter

We study the scenario which incorporates dark matter in the minimal left-right symmetric theory at the TeV scale. The only viable candidate is found to be the lightest right-handed neutrino with a mass of keV. In order to satisfy the dark matter relic abundance, the relic yield is diluted by late decays of the two heavier neutrinos. We point out that the QCD phase transition temperature coincidences with the typical freeze-out temperature governed by super-weak right-handed interactions. This helps to alleviate the problem of overproduction and a careful numerical study reveals a narrow window for the mass of the right-handed gauge boson, which is within the reach of the LHC.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Dim 6 nucleon decay in anomalous U(1){sub A} SUSY GUT

Anomalous U(1){sub A} SUSY GUT models are atractive because they can solve many difficulties in SUSY GUT models. In anomalous U(1){sub A} SUSY GUT models, nucleon decay amplitudes of dim 6 effective interactions are larger than that of dim 5 effective interactions. Then, I discuss dim 6 effective interactions in some models, and predict proton lifetimes for many decay modes by calculating interactions. First, I fix unitary matrices that make Yukawa coupling matrices diagonalize, and predict proton lifetimes. Second, I study uncertainties of these unitary matrices, and show these effects on proton lifetimes. From these results, I show that we can distinguish some models from by nucleon decay.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NEUT Pion FSI

The pion final state interaction model in NEUT is described. Modifications and tuning of the model are validated against neutrino and non-neutrino (pion scattering and photoproduction) data. A method for evaluating the uncertainties in the model and propagation of systematic errors in a neutrino oscillation experiment is described, using T2K as a specific example.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Towards three-body unitarity in D{sup +}{yields}K{sup -}{pi}{sup +}{pi}{sup +}

We assess the importance of final state interactions in D{sup +}{yields}K{sup -}{pi}{sup +}{pi}{sup +}, stressing the consistency between two- and three-body interactions. The basic building block in the calculation is a K{pi} amplitude based on unitarized chiral perturbation theory and with parameters determined by a fit to elastic LASS data. Its analytic extension to the second sheet allows the determination of two poles, associated with the {kappa} and the K{sup *}(1430), and a representation of the amplitude based on them is constructed. The problem of unitarity in the three-body system is formulated in terms of an integral equation, inspired in the Faddeev formalism, which implements a convolution between the weak vertex and the final state hadronic interaction. Three different topologies are considered for the former and, subsequently, the decay amplitude is expressed as a perturbation series. Each term in this series is systematically related to the previous one and a resummation was performed. Remaining effects owing to single and double rescattering processes were then added and results compared to FOCUS data. We found that proper three-body effects are important at threshold and fade away rapidly at higher energies. Our model, based on a vector-weak vertex, can describe qualitative features of the modulus of the decay amplitude and agrees well with its phase in the elastic region.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

LHC bounds on interactions of dark matter

We derive limits on the interactions of dark matter with quarks from ATLAS null searches for jets+missing energy based on {approx}1 fb{sup -1} of integrated luminosity, using a model-insensitive effective theory framework. We find that the new limits from the LHC significantly extend limits previously derived from CDF data at the Tevatron. Translated into the parameter space of direct searches, these limits are particularly effective for {approx} GeV mass weakly interacting massive particles. Our limits indicate tension with isospin-violating models satisfying minimal flavor violation which attempt to reconcile the purported CoGeNT excess with Xenon-100, indicating that either a light mediator or nontrivial flavor structure for the dark sector is necessary for a viable reconciliation of CoGeNT with Xenon.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Using Neutrino Nucleus Interactions as a Probe of the Strong Interaction

Neutrino scattering experiments have been studying QCD for over 30 years. From the Gargamelle experiments in the early 70's, through the subsequent bubble chamber and electronic detector experiments in the 80's and 90's, neutrino scattering experiments have steadily accumulated increasing statistics and minimized their systematic errors. An example of the more recent studies of QCD with neutrinos is from the TeVatron neutrino beam--the NuTeV {nu}-Fe experiment. The problem the community faces in trying to study QCD with modern neutrino data is that there is no experimentally verified way to scale neutrino-nucleus (for example, Fe) results to the equivalent neutrino-nucleon values making it difficult to combine neutrino nucleus scattering data with charged-lepton nucleus and nucleon scattering data in QCD global fits to extract parton distribution functions. This is particularly crucial since there is now indications that nuclear effects in neutrino nucleus interactions are different than those measured in charged-lepton nucleus scattering. To better understand this situation, the MINER{nu}A neutrino-nucleus scattering experiment at Fermilab, a collaboration of elementary-particle and nuclear physicists, is systematically studying neutrino nuclear effects off of He, C, Fe and Pb for a more thorough A-dependent study of nuclear PDFs and these correction factors.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Natural GUT and the cosmology

In the natural GUT, not only realistic quark and lepton mass matrices can be obtained but also the most serious problem in the SUSY GUT, which is called the doublet-triplet splitting problem, can be solved under the natural assumption that all the interactions which are allowed by the symmetry are introduced with O(1) coefficients (including the higher dimensional operators). In this manuscript, we examine several cosmological aspects which are related with the natural GUT, B - L-genesis, non-thermal production of dark matter (DM), vacuum selection by particle production, and the inflation after the trapping. These works are based on several papers[1, 2, 3] collaborated with S. Enomoto, S. Iida, Y. Kurata, and T. Matsuda.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

An explicit SU(12) family and flavor unification model

An explicit SUSY SU(12) unification model with three light chiral families is presented which avoids any external flavor symmetries. The hierarchy of quark and lepton masses and mixings is explained by higher dimensional Yukawa interactions involving Higgs bosons containing SU(5) singlet fields with VEVs appearing at or below the SUSY GUT scale of 2 Multiplication-Sign 10{sup 16} GeV, approximately 50 times smaller than the SU(12) unification scale. The model has been found to be in good agreement with the observed quark and lepton masses and mixings, with nearly all prefactors of {beta}(1) in the four Dirac and one Majorana fermion mass matrices.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Theoretical study on the ground state of the polar alkali-metal-barium molecules: Potential energy curve and permanent dipole moment

In this paper, we systematically investigate the electronic structure for the {sup 2}Σ{sup +} ground state of the polar alkali-metal-alkaline-earth-metal molecules BaAlk (Alk = Li, Na, K, Rb, and Cs). Potential energy curves and permanent dipole moments (PDMs) are determined using power quantum chemistry complete active space self-consistent field and multi-reference configuration interaction methods. Basic spectroscopic constants are derived from ro-vibrational bound state calculation. From the calculations, it is shown that BaK, BaRb, and BaCs molecules have moderate values of PDM at the equilibrium bond distance (BaK:1.62 D, BaRb:3.32 D, and BaCs:4.02 D). Besides, the equilibrium bond length (4.93 Å and 5.19 Å) and dissociation energy (0.1825 eV and 0.1817 eV) for the BaRb and BaCs are also obtained.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Weak decay rates for neutron-deficient Kr isotopes relevant for the rp process

Weak interaction rates under stellar density and temperature conditions relevant for the rp process are studied in neutron-deficient Kr isotopes. The nuclear structure part of the problem is described within the deformed Skyrme Hartree-Fock+BCS+QRPA, which reproduces not only the beta-decay half-lives but also the available Gamow-Teller strength distributions, measured under terrestrial conditions. The various sensitivities of the decay rates to both density and temperature are discussed. In particular, we study the contributions coming from excited states in the parent nucleus, which are thermally populated, and the competition between beta-decays and continuum electron captures.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Charged nontopological soliton of the SU(2) Multiplication-Sign U(1) gauge model

The SU(2) Multiplication-Sign U(1) gauge model that is the bosonic sector of the Standard Model of electroweak interactions is considered. The existence of electrically charged nontopological solitons is shown to be possible in this model. Some properties of a charged nontopological soliton are investigated. Asymptotic expressions are derived for the soliton radius, energy, and phase frequency in the thin-wall regime by the method of trial functions. Numerical solutions of the model field equations corresponding to electrically charged non-topological solitions have been obtained. The dependences of the soliton energy and charge on phase frequency are given for several model parameters. It follows from the data obtained that there exists a domain of parameters in which a charged nontopological soliton is stable to the transition to a plane-wave field configuration.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Vortices catapult droplets in atomization

A droplet ejection mechanism in planar two-phase mixing layers is examined. Any disturbance on the gas-liquid interface grows into a Kelvin-Helmholtz wave, and the wave crest forms a thin liquid film that flaps as the wave grows downstream. Increasing the gas speed, it is observed that the film breaks up into droplets which are eventually thrown into the gas stream at large angles. In a flow where most of the momentum is in the horizontal direction, it is surprising to observe these large ejection angles. Our experiments and simulations show that a recirculation region grows downstream of the wave and leads to vortex shedding similar to the wake of a backward-facing step. The ejection mechanism results from the interaction between the liquid film and the vortex shedding sequence: a recirculation zone appears in the wake of the wave and a liquid film emerges from the wave crest; the recirculation region detaches into a vortex and the gas flow over the wave momentarily reattaches due to the departure of the vortex; this reattached flow pushes the liquid film down; by now, a new recirculation vortex is being created in the wake of the wave—just where the liquid film is now located; the liquid film is blown up from below by the newly formed recirculation vortex in a manner similar to a bag-breakup event; the resulting droplets are catapulted by the recirculation vortex.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

THE INCIDENCE OF NON-SPHERICAL CIRCUMSTELLAR ENVELOPES IN ASYMPTOTIC GIANT BRANCH STARS

The relative occurrence of asymmetric structures in the circumstellar envelopes (CSEs) of asymptotic giant branch (AGB) stars in detached binary star systems is studied based on a population synthesis method. The effects of envelope shaping by the gravitational interaction of the companion on an outflowing stellar wind are incorporated using previously derived empirical fits to numerical simulations. It is shown that significant asymmetries in the CSE, characterized by a ratio of the density in the equatorial direction relative to the polar direction, can exceed 10 for AGB stars characterized by luminosities in the range of 1000-10, 000 L{sub sun} in systems with orbital separations of 3-30 AU and mass ratios of 0.25-1. The incidence of such systems relative to a present-day field population of AGB stars (single + binary) is estimated to be 1%-6%, depending upon input parameter choices. For more modest density contrasts exceeding a factor of two, the incidence increases to 4%-15%. With the advent of future high-resolution molecular line studies of CSEs with the Atacama Large Millimeter Array, it is anticipated that the number of AGB stars exhibiting detectable asymmetries will significantly increase.

79 ASTRONOMY AND ASTROPHYSICS↗

Exotic modes of excitation and weak interaction rates at finite temperature

The interplay of isospin asymmetry and finite temperature in nuclei plays an important role on properties of nuclear excitations and weak interaction rates in stellar environment. Recently a fully self-consistent microscopic framework, based on Hartree-Fock plus random phase approximation using Skyrme functionals, has been introduced for description of excitations and weak-interaction cross sections at finite temperature. Another self-consistent framework involving nuclei at finite temperature has also been developed within relativistic mean field theory using effective Lagrangians with density dependent meson-nucleon vertex functions. Nuclear excitations are studied using finite temperature random phase approximation for the range of temperatures T = 0-2 MeV, as well as in nuclei far from stability. In the focus of research are the structure properties of exotic modes of excitation (e.g. pygmy dipole resonances) and charge-exchange modes (e.g. Gamow-Teller resonances and forbidden transitions). It is shown that finite temperature effects include novel low-energy multipole excitations and modifications of the Gamow-Teller transition spectra. Using a representative set of Skyrme functionals, as well as covariant energy density functional with DD-ME2 parameterization, both theory frameworks have been applied in calculations of electron-capture cross sections relevant in the stage of supernova precollapse.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Reduced Internal Friction by Osmolyte Interaction in Intrinsically Disordered Myelin Basic Protein

Urea is a strong denaturing osmolyte that disrupts noncovalent bonds in proteins. Here, we present a small-angle neutron scattering (SANS) and neutron spin–echo spectroscopy (NSE) study on the structure and dynamics of the intrinsically disordered myelin basic protein (MBP) denatured by urea. SANS results show that urea-denatured MBP is more compact than ideal polymers, while its secondary structure content is entirely lost. Additionally, NSE experiments reveal concomitantly an increase of the relaxation time and of the amplitude of internal motions in urea-denatured MBP as compared to native MBP. If interpreted in terms of the Zimm model including internal friction (ZIF), the internal friction parameter decreased by a factor of 6.5. Urea seems to not only smooth local energy barriers, reducing internal friction on a local scale, but also significantly reduces the overall depth of the global energy landscape. This leads to a nearly complete loss of restoring forces beyond entropic forces and in turn allows for larger motional amplitudes. Obviously, the noncovalent H-bonds are largely eliminated, driving the unfolded protein to be more similar to a synthetic polymer.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗