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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 595 records · Page 33

In Situ Elucidation of the Active State of Co–CeO x Catalysts in the Dry Reforming of Methane: The Important Role of the Reducible Oxide Support and Interactions with Cobalt

The activation of methane and its dry reforming with CO 2 was systematically studied over a series (2–30 wt %) of Co (~5 nm in size) loaded CeO 2 catalysts, with an effort to elucidate the interplay between Co and CeO 2 during the catalytic process using in situ methods. The results of in situ time-resolved X-ray diffraction (TR-XRD) show a strong interaction of methane with the CoOx–CeO 2 systems at temperatures between 200 and 350 °C. The hydrogen produced by the dissociation of C–H bonds in methane leads to a full reduction of Co oxide, Co 3 O 4 → CoO → Co, and a partial reduction of ceria with the formation of some Ce 3+ . Upon the addition of CO 2 , a catalytic cycle for dry reforming of methane (DRM) was achieved on the CoOx–CeO 2 powder catalysts at temperatures below 500 °C. A 10 wt % Co–CeO 2 catalyst was found to possess the best catalytic activity among various cobalt loading catalysts, and it exhibits a desirable stability for the DRM with a minimal effect of carbon accumulation. The phase transitions and the nature of active components in the catalyst were investigated under reaction conditions by in situ time-resolved XRD and ambient-pressure X-ray photoelectron spectroscopy (AP-XPS). These studies showed dynamic evolutions in the chemical composition of the catalysts under reaction conditions. CO 2 attenuated the reducing effects of methane. Under optimum CO- and H 2 -producing conditions, both XRD and AP-XPS indicated that the active phase involved a majority of metallic Co with a small amount of CoO, both supported on a partially reduced ceria (Ce 3+ /Ce 4+ ). Finally, we identified the importance of dispersing Co, anchoring it onto the ceria surface sites, and then utilizing the redox properties of CeO 2 for activating and then oxidatively converting methane while inhibiting coke formation. Furthermore, a synergistic effect between cobalt and ceria and likely the interfacial sitee are essential to successfully close the catalytic cycle.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Dark halos around neutron stars and gravitational waves

Here, we find that models of MeV-GeV dark matter in which dark matter interacts strongly can be constrained by the observation of gravitational waves from binary neutron star (BNS) mergers. Trace amounts of dark matter, either produced during the supernova or accreted later, can alter the structure of neutron stars (NS) and influence their tidal deformability. We focus on models of dark matter interacting by the exchange of light vector gauge bosons that couple to a conserved dark charge. In these models, dark matter accumulated in neutron stars can extend to large radii. Gravitational waves detected from the first observed BNS merger GW170817 places useful constraints on such not-so compact objects. Dark halos, if present, further predict a greater variability of neutron star tidal deformabilities than expected for ordinary neutron stars.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Measurements of higher-order cumulants of multiplicity and net-electric charge distributions in inelastic proton-proton interactions by NA61/SHINE

This paper presents the energy dependence of multiplicity and net-electric charge fluctuations in p+p interactions at beam momenta 20, 31, 40, 80, and 158 \(\text{ Ge }\hspace{-1.00006pt}\text{ V }\!/\!c\). Results are corrected for the experimental biases and quantified with the use of cumulants and factorial cumulants. Cumulant ratios are an essential tool in the search for the critical point of strongly interacting matter in heavy ion collisions. Measurements performed in p+p interactions provide a vital baseline estimation in these studies. The measured signals are compared with the string hadronic models Epos1.99 and FTFP-BERT.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Air-sea heat exchange, an element of the water cycle

The distribution and variation of water vapor, clouds and precipitation are examined. Principal driving forces for these distributions are energy exchange and evaporation at the air-sea interface, which are also important elements of air-sea interaction studies. The overall aim of air-sea interaction studies is to quantitatively determine mass, momentum and energy fluxes, with the goal of understanding the mechanisms controlling them. The results of general circulation simulations indicate that the atmosphere in mid-latitudes responds to changes in the oceanic surface conditions in the tropics. This correlation reflects the strong interaction between tropical and mid-latitude conditions caused by the transport of heat and momentum from the tropics. Studies of air-sea exchanges involve a large number of physica, chemical and dynamical processes including heat flux, radiation, sea-surface temperature, precipitation, winds and ocean currents. The fluxes of latent heat are studied and the potential use of satellite data in determining them evaluated. Alternative ways of inferring heat fluxes will be considered.

Chahine, M. T.↗

Modelling of E-region auroral winds

A numerical code, describing the interactions between chemistry and dynamics in the coupled thermosphere and ionosphere systems, has been used to investigate the morphology of wind systems of the auroral E-region and, in particular, their response to geomagnetic forcing. The structure and dynamics of both the thermosphere and the ionosphere show very strong interactions at all levels of geomagnetic disturbance. By comparison, other perturbations, particularly those resulting from tidal and gravity wave sources within the lower atmosphere, which are important and easily identified during quiet periods, are always overwhelmed by the magnitude of the effects of large geomagnetic disturbances above about 110 km altitude. The model simulations will be used to characterize the geomagnetic response of the E-region neutral wind, temperature, and composition in different parts of the polar cap and the auroral oval, and the major changes resulting from seasonal variations.

Rees, David↗

Phase Diagram of the Two-Chain Hubbard Model

We have calculated the charge gap and spin gap for the two-chain Hubbard model as a function of the on-site Coulomb interaction and the interchain hopping amplitude. We used the density matrix renormalization group method and developed a method to calculate separately the gaps numerically for the symmetric and antisymmetric modes with respect to the exchange of the chain indices. We have found very different behaviors for the weak and strong interaction cases. Our calculated phase diagram is compared to the one obtained by Balents and Fisher using the weak coupling renormalization group technique.

Park, Youngho↗

Reconfigurable Pinwheel Artificial-Spin-Ice and Superconductor Hybrid Device

The ability to control the potential landscape in a medium of interacting particles could lead to intriguing collective behavior and innovative functionalities. In this work, we utilize spatially reconfigurable magnetic potentials of a pinwheel artificial-spin-ice (ASI) structure to tailor the motion of superconducting vortices. The reconstituted chain structures of the magnetic charges in the pinwheel ASI and the strong interaction between magnetic charges and superconducting vortices allow significant modification of the transport properties of the underlying superconducting thin film, resulting in a reprogrammable resistance state that enables a reversible and switchable vortex Hall effect. Our results highlight an effective and simple method of using ASI as an in situ reconfigurable nanoscale energy landscape to design reprogrammable superconducting electronics, which could also be applied to the in situ control of properties and functionalities in other magnetic particle systems, such as magnetic skyrmions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Electronic properties of correlated kagomé metals AV 3 Sb 5 (A = K, Rb, and Cs): A perspective

Following the discovery of a new family of kagomé prototypical materials with structure AV 3 Sb 5 (A=K, Rb, and Cs), there has been a heightened interest in studying the correlation-driven electronic phenomena in these kagomé lattice systems. The study of these materials has gone beyond magneto-transport measurements to reveal exciting features such as Dirac bands, anomalous Hall effect, bulk superconductivity with T c ~0.9–2.5K, and the observation of charge density wave instabilities, suggesting an intertwining of topological physics and new quantum orders. Moreover, very recent works on numerous types of experiments have appeared further examining the unconventional superconductivity and the exotic electronic states found within these kagomé materials. Theories on the strong interactions that play a role in these systems have been proposed to shed light on the nature of these topological charge density waves. In this brief review, we summarize these recent experimental findings and theoretical proposals and envision the materials as new platforms to study the interplay between topological physics and strongly correlated electronic systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Direct real photons in relativistic heavy ion collisions

Direct real photons are arguably the most versatile tools to study relativistic heavy ion collisions. They are produced, by various mechanisms, during the entire space-time history of the strongly interacting system. Also, being colorless, most the time they escape without further interaction, i.e. they are penetrating probes. This makes them rich in information, but hard to decypher and interpret. This review presents the experimental and theoretical developments related to direct real photons since the 1970s, with a special emphasis on the recently emerged 'direct photon puzzle', the simultaneous presence of large yields and strong azimuthal asymmetries of photons in heavy ion collisions, an observation that so far eluded full and coherent explanation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

On the origin of hot diamagnetic cavities near the earth's bow shock

The origin of hot diamagnetic cavities (HDCs) observed occasionally upstream from the earth's bow shock is investigated by examining the results of November 16, 1977, observation, when four of these events occurred on a single day, as well as plasma and field data from that day. The results suggest that HDCs may form as a result of an unusually strong interaction between shock-reflected ions and the incoming solar wind. It is proposed that this interaction stems from a temporary and localized reflection of a larger-than-normal fraction of the incident ions, which is stimulated by sudden changes in the upstream field orientation; the consequences of such a temporary overreflection are found to be consistent with many of the observed features of HDCs, including the strong slowing, deflection, and heating of the flow, as well as the localization, internal recoveries, and occasional formation upstream from the shock itself.

Thomsen, M. F.↗

MS 0129.2 - 2237 - Interacting galaxies at z = 0.11

The X-ray source MS 0129.2 - 2237 is positionally coincident with an interacting system of galaxies. This paper presents the results of a spectroscopic and photometric investigation of the system, which show that a Seyfert 1.5, a Seyfert 2 nucleus or H II region, or a starburst galaxy, a normal galaxy plus possibly another galaxy where star-forming activity is taking place are strongly interacting. The redshift of the system is z = 0.11. The maximum projected diameter of the envelope common to the four spectroscopically distinct objects is about 98 kpc (H0 = 50 km/s M/pc and q0 = 0.5). The isolated environment in which the system lies suggests that these results present evidence of the final stage of the life of a compact group of galaxies where members are merging into an elliptical galaxy.

Maccagni, Dario↗

A Model for Macromolecular Crystallization

Macromolecular crystallization is a complex process. involving a system which typically has 5 or more components (macromolecule, water, buffer + counter ion, and precipitant). Whereas small molecules have only several well defined contacts in the crystal lattice, macromolecules generally have 10's or even 100's of contacts between molecules. These can range from hydrogen bonds (direct or water-mediated), through van der Waals, hydrophobic, salt bridges, and ion-mediated contacts. The latter interactions are stronger and require some specificity in the molecular alignment, while the others are weaker, more prevalent, and more promiscuous, i.e., can often be readily broken and reformed between other sites. Formation of a consistent, ordered, 3D structure may be impossible in the absence of any or presence of too many strong interactions. Further complicating the process is the inherent structural asymmetry of monomeric single chain macromolecules. The process of crystal nucleation and growth involves the ordered assembly of growth units into a defined 3D lattice. We suggest that for many macromolecules, particularly those that are monomeric, this involves a preliminary solution-phase assembly process into a growth unit having some symmetry prior to addition to the lattice, recapitulating the initial stages of the nucleation process. If this model is correct then fluids and crystal growth models assuming a strictly monodisperse nutrient solution need to be revised. Experimental evidence, based upon face growth rate, AFM, and fluorescence energy transfer data, for a postulated model of the nucleation of tetragonal lysozyme crystals and how it transitions into crystal growth will be presented.

Pusey, Marc L.↗

Formation of (Rh–Fe)–FeO x Complex Sites Enables Methanol Synthesis from CO 2

Here, we addressed the challenges of designing catalysts for selective CO 2 hydrogenation by incorporating oxide Fe species onto Rh nanoparticles. Nanoscopic FeO x domains created a “reverse catalyst” structure (i.e., a metal oxide supported on a metal) that increased the density of interfacial sites compared to traditional supported catalysts. The contact between the metal nanoparticle and the oxide overlayer induced the formation of a surface Rh-Fe alloy that stabilize methoxy groups while suppressing hydrogenolysis to methane. Sites at FeO x -metal interfaces interact with CO 2 sevenfold stronger than sites on metal surfaces, show larger energy barriers to cleave the C-O bonds, and offer a barrierless pathway for hydrogenation of methoxy species to methanol. Consequently, the multifunctional sites over FeO x /Rh-Fe catalysts highlight and meet the requirements of a selective methanol catalyst: strong interaction with CO 2 to ensure high density of transition states; metal sites to activate and make hydrogen available to surface intermediates; and high energy barriers for C-O bond cleavage to form carbides. These synthesis and catalytic chemistries, demonstrated for Rh-Fe-FeO x interfaces, enable us to overcome the limitations to the design of methanol production catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Final Report for Project. Quark matter under extreme conditions

The results obtained in the two years of the grant have served to shine new light on several important questions about the phases of quantum chromodynamics (QCD) under extreme conditions that include quark matter at high density, as well quark-gluon plasma at high temperatures, both in the presence of strong magnetic fields. The interest in including an external magnetic field on these studies is motivated by the generation of large magnetic fields in off-central heavy-ion collisions and by their common presence in astrophysical compact objects, the two scenarios where the physics of quark matter becomes relevant. The tasks carried out in this DOE project led us, among other things, to discover the first connection between the physics of very dense quark matter and novel materials as for instance topological insulators and Weyl semimetals; they allowed us to find a physical explanation for and a solution to a standing puzzle in the apparent effect of a magnetic field on the critical temperature of the QCD chiral transition; and they led us to establish by the first time that the core of the observed two-solar-mass neutron stars could be made up of quark matter in certain inhomogeneous chiral phases in a magnetic field and that this was consistent with current astrophysical observations. A major goal established by the Nuclear Science Advisory committee in its most recent report “Reaching for the Horizon” has been “to truly understand how nuclei and strongly interacting matter in all its forms behave and can predict their behavior in new settings.” The results found in this DOE project have all contributed to address this goal, and thus they are important for advancing fundamental knowledge in the area of nuclear physics and for enhancing our understanding of the role of strong magnetic fields in the two settings where they are most relevant, neutron stars and heavy-ion collisions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

A Model for Tetragonal Lysozyme Crystal Nucleation and Growth

Macromolecular crystallization is a complex process, involving a system that typically has 5 or more components (macromolecule, water, buffer + counter ion, and precipitant). Whereas small molecules have only a few contacts in the crystal lattice, macromolecules generally have 10's or even 100's of contacts between molecules. These can range from hydrogen bonds (direct or water-mediated), through van der Waals, hydrophobic, salt bridges, and ion-mediated contacts. The latter interactions are stronger and require some specificity in the molecular alignment, while the others are weaker, more prevalent, and more promiscuous, i.e., can be readily broken and reformed between other sites. Formation of a consistent, ordered, 3D structure may be difficult or impossible in the absence of any or presence of too many strong interactions. Further complicating the process is the inherent structural asymmetry of monomeric (single chain) macromolecules. The process of crystal nucleation and growth involves the ordered assembly of growth units into a defined 3D lattice. We suggest that for many macromolecules, particularly those that are monomeric, this involves a preliminary solution-phase assembly process into a growth unit having some symmetry prior to addition to the lattice, recapitulating the initial stages of the nucleation process. If this model is correct then fluids and crystal growth models assuming a strictly monodisperse nutrient solution need to be revised. This model has been developed from experimental evidence based upon face growth rate, AFM, and fluorescence energy transfer data for the nucleation and growth of tetragonal lysozyme crystals.

Pusey, Marc L.↗

Interacting mesons as degrees of freedom in a chiral model

Here, we study the equation of state of hot and dense hadronic matter using an extended chiral mean field (CMF) model framework where the addition is the inclusion of interactions of thermally excited mesons. This is implemented by calculating the in-medium masses of pseudoscalar and vector mesons, obtained through the explicit chiral symmetry-breaking and vector-interaction terms in the Lagrangian, respectively, prior to applying the mean-field approximation. As a result, the in-medium meson contributions generate a feedback term to the CMF’s equations of motion, which then modifies the equation of state. With this improvement, we quantify the effect on the equation of state of strongly interacting matter through comparisons with state-of-the-art lattice QCD results and other hadronic models like the hadron resonance gas model. We find that the results of the updated hadronic CMF model with an improved meson description (mCMF) provide a better agreement with lattice-QCD data for thermodynamic state variables across a wide range of temperatures and baryon chemical potentials.

phenomenology↗

Synergistic interaction between oxides of copper and iron for production of fatty alcohols from fatty acids

In this study, the selective hydrogenation of fatty acids to fatty alcohols can be achieved under moderate conditions (180 °C, 30 bar H 2 ) by simultaneously supporting copper and iron oxides on mesoporous silica nanoparticles. The activity of the cosupported oxides is significantly higher than that of each supported metal oxide and of a physical mixture of both individually supported metal oxides. A strong interaction between both metal oxides is evident from dispersion, XRD, TPR, and acetic acid TPD measurements, which is likely responsible for the synergistic behavior of the catalyst. Copper oxide is reduced in situ to its metallic form and thereby activates hydrogen.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Atomic-scale understanding of the electronic structure-crystal facets synergy of nanopyramidal CoPi/BiVO 4 hybrid photocatalyst for efficient solar water oxidation

The observation of a spontaneous electron enrichment at the apexes of bismuth vanadate (BiVO 4 ) nanopyramidal arrays is achieved by performing synchrotron-based angular dependent X-ray absorption spectroscopy. In accordance with density function theory calculations, the formation of (112) facets enriched apexes is proposed. Such intrinsically electron-enriched (112) facets at the apexes produce a potential facilitating the diffusion of photoexcited holes, which not only mitigates the recombination with the photoexcited electrons, but also provide an active reaction site for the photoassisted selective growth of cobalt phosphate (CoPi), a well known and highly active co-catalyst for water oxidation at the apex of BiVO 4 nanopyramids. Benefiting from the element-resolved properties of synchrotron-based X-ray spectroscopy, 3d electrons on the vanadium site are directly resolved by resonant inelastic X-ray scattering measurements. Due to this unique morphology, the charge at the apex is expected to induce a strong interaction with CoPi, as a result of the metal-to-ligand charge transfer spectroscopy feature observed from the cobalt site. Substantial evidences are collected by means of comprehensive soft X-ray spectroscopy techniques with high spectral resolution revealing the atomic-scale origin and the nature of the synergy as well as the strong correlation between its unique structural properties and the electronic structure of this novel highly-ordered hybrid photocatalyst and its significantly improved photoelectrochemical performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗