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At least 523 records · Page 29

Feasibility Study of Continuous Casting of Steel Billets in Twin-Belt Caster

Integrated casting and rolling in a series production line is well established for the non-ferrous metals through the use of twin-belt casting technology. However, this twin-belt casting with high mass flow is not yet commercialized in the continuous production of steel alloys. A novel steel casting for the in-line rolling (named LUUP method) is presented and one main focus of this work is to design a casting machine: twin-belt caster. Influence of mass flow rate and dimensional ratio on the solidification, compensation, and total process length is addressed. A gap-dependent belt and dam block side heat transfer is modeled. The admissible casting speed due to the limitations of caster length and shell strength is addressed. The total process length only depends on the mass flow rate. A 2D traveling slice numerical model is presented with realistic boundary conditions for the entire process starting from the meniscus to roll mill entry.

36 MATERIALS SCIENCE↗

A microfluidic platform for the synthesis of polymer and polymer-protein-based protocells

In this study, we demonstrate the fabrication of polymersomes, protein-blended polymersomes, and polymeric microcapsules using droplet microfluidics. Polymersomes with uniform, single bilayers and controlled diameters are assembled from water-in-oil-in-water double-emulsion droplets. This technique relies on adjusting the interfacial energies of the droplet to completely separate the polymer-stabilized inner core from the oil shell. Protein-blended polymersomes are prepared by dissolving protein in the inner and outer phases of polymer-stabilized droplets. Cell-sized polymeric microcapsules are assembled by size reduction in the inner core through osmosis followed by evaporation of the middle phase. All methods are developed and validated using the same glass-capillary microfluidic apparatus. This integrative approach not only demonstrates the versatility of our setup, but also holds significant promise for standardizing and customizing the production of polymer-based artificial cells.

36 MATERIALS SCIENCE↗

Molecular photoionization processes of astrophysical and aeronomical interest

An account is given of aspects of photoionization processes in molecules, with particular reference to recent theoretical and experimental studies of partial cross sections for production of specific final electronic states and of parent and fragment ions. Such cross sections help provide a basis for specifying the state of excitation of the ionized medium, are useful for estimating the kinetic energy distributions of photoejected electrons and fragment ions, provide parent-and fragment-ion yields, and clarify the possible origins of neutral fragments in highly excited rovibronic states. A descriptive account is given of photoionization phenomena, including tabulation of valence- and inner-shell potentials for some molecules of astrophysical and aeronomical interest. Cross sectional expressions are given. Various approximations currently employed in computational studies are described briefly, threshold laws and high-energy limits are indicated, and distinction is drawn between resonant and direct photoionization phenomena. Recent experimental and theoretical studies of partial photoionization cross sections in selected compounds of astrophysical and aeronomical relevance are described and discussed.

Langhoff, P. W.↗

Opacity of shock-heated boron plasmas

Standard measures of opacity, the imaginary part of the atomic scattering factor f 2 and the x-ray mass attenuation coefficient μ/ρ, are assessed in shock-heated boron, boron carbide and boron nitride plasmas. The Hugoniot equation, relating the temperature T behind a shock wave to the compression ratio ρ/ρ 0 across the shock front, is used in connection with the plasma equation of state to determine the pressure p, effective plasma charge Z* and the K-shell occupation in terms of ρ/ρ 0 . Solutions of the Hugoniot equation (determined within the framework of the generalized Thomas–Fermi theory) show that the K-shell occupation in low-Z ions decreases rapidly from 2 to 0.1 as the temperature increases from 20 eV to 500 eV; a temperature range in which the shock compression ratio is near 4. The average-atom model (a quantum mechanical version of the generalized Thomas–Fermi theory) is used to determine K-shell and continuum wave functions and the photoionization cross section for x-rays in the energy range ω = 1 eV to 10 keV, where the opacity is dominated by the atomic photoionization process. For an uncompressed boron plasma at T = 10 eV, where the K-shell is filled, the average-atom cross section, the atomic scattering factor and the mass attenuation coefficient are all shown to agree closely with previous (cold matter) tabulations [1, 2, 3]. For shock-compressed plasmas, the dependence of μ/ρ on temperature can be approximated by scaling previously tabulated cold-matter values by the relative K-shell occupation; yet, there is a relatively small residual dependence arising from the photoionization cross section. Attenuation coefficients μ for a 9 keV x-ray are given as functions of T along the Hugoniot for B, C, B 4 C and BN plasmas.

52.25.Os: Emission↗

AGR-1, AGR-2 and AGR-3/4 Release-to-Birth Ratio Data Analysis

A series of Advanced Gas Reactor (AGR) irradiation tests is being conducted in the Advanced Test Reactor at Idaho National Laboratory in support of development and qualification of tristructural isotropic (TRISO) low enriched fuel used in the High Temperature Gas-cooled Reactor (HTGR). Each AGR test consists of multiple independently controlled and monitored capsules containing fuel compacts placed in a graphite cylinder shrouded by a steel shell. These capsules are instrumented with thermocouples embedded in the graphite enabling temperature control. AGR configuration and irradiation conditions are based on prismatic HTGR technology distinguished primarily by the use of helium coolant, a low-power-density ceramic core capable of withstanding very high temperatures, and TRISO coated particle fuel. Thus, these tests provide valuable irradiation performance data to support fuel process development, qualify fuel for normal operating conditions, and support development and validation of fuel performance and fission product transport models and codes. The release-rate-to-birth-rate ratio (R/B) for each of fission product isotopes (i.e., krypton and xenon) is calculated from release rates in the sweep gas flow measured by the germanium detectors used in the AGR Fission Product Monitoring (FPM) System installed downstream from each irradiated capsule. Birth rates are calculated based on the fission power in the experiment and fission product generation models. Thus, this R/B is a measure of the ability of fuel kernel, particle coating layers, and compact matrix to retain fission gas atoms preventing their release into the sweep gas flow, especially in the event of particle coating failures that occurred during AGR-2 and AGR-3/4 irradiations. The major factors that govern gaseous radioactive decay, diffusion, and release processes are found to be material diffusion coefficient, temperature, and isotopic decay constant. For each of all AGR capsules, ABAQUS-based three-dimensional finite-element thermal models are created to predict daily averages of fuel compact temperatures for the entire irradiation period, which are used in establishing the R/B correlation with temperature and decay constant. This correlation can be used by reactor designers to estimate fission gas release from postulated failed fuel particles in HTGR cores, which is the key safety factor for fuel performance assessment.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

AGR-2 and AGR-3/4 Release-to-Birth Ratio Data Analysis

A series of Advanced Gas Reactor (AGR) irradiation tests is being conducted in the Advanced Test Reactor at Idaho National Laboratory in support of development and qualification of tristructural isotropic (TRISO) low enriched fuel used in the High Temperature Gas-cooled Reactor (HTGR). Each AGR test consists of multiple independently controlled and monitored capsules containing fuel compacts placed in a graphite cylinder shrouded by a steel shell. These capsules are instrumented with thermocouples embedded in the graphite enabling temperature control. AGR configuration and irradiation conditions are based on prismatic HTGR technology distinguished primarily by the use of helium coolant, a low-power-density ceramic core capable of withstanding very high temperatures, and TRISO coated particle fuel. Thus, these tests provide valuable irradiation performance data to support fuel process development, qualify fuel for normal operating conditions, and support development and validation of fuel performance and fission product transport models and codes. The release-rate-to-birth-rate ratio (R/B) for each of fission product isotopes (i.e., krypton and xenon) is calculated from release rates in the sweep gas flow measured by the germanium detectors used in the AGR Fission Product Monitoring (FPM) System installed downstream from each irradiated capsule. Birth rates are calculated based on the fission power in the experiment and fission product generation models. Thus, this R/B is a measure of the ability of fuel kernel, particle coating layers, and compact matrix to retain fission gas atoms preventing their release into the sweep gas flow, especially in the event of particle coating failures that occurred during AGR-2 and AGR-3/4 irradiations. The major factors that govern gaseous radioactive decay, diffusion, and release processes are found to be material diffusion coefficient, temperature, and isotopic decay constant. For each of all AGR capsules, ABAQUS-based three-dimensional finite-element thermal models are created to predict daily averages of fuel compact temperatures for the entire irradiation period, which are used in establishing the R/B correlation with temperature and decay constant. This correlation can be used by reactor designers to estimate fission gas release from postulated failed fuel particles in HTGR cores, which is the key safety factor for fuel performance assessment.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Regulating the Third Metal to Design and Engineer Multilayered NiFeM (M: Co, Mn, and Cu) Nanofoam Anode Catalysts for Anion-Exchange Membrane Water Electrolyzers

In this study, alkaline anion-exchange membrane water electrolyzers (AEMWEs) for green hydrogen production have received intensive attention due to their feasibility of using earth-abundant platinum group metal (PGM)-free catalysts. Herein, the third metal is incorporated into NiFe-based catalysts to regulate their electronic structures and morphologies, aiming to achieve sufficient oxygen evolution reaction (OER) activity and performance in AEMWEs. The ternary NiFeM (M: Cu, Co, or Mn) catalysts are featured with multiple layered structures and nanofoam network morphologies, consisting of highly OER-active amorphous Ni-rich oxide shells and electrically conductive metallic alloy cores. The physical and electronic perturbations to the NiFe induced by a third element lead to a fine-tuning of the redox ability of the metal sites at the reaction centers, which breaks the scaling relationship between OH* and O* intermediates at the reaction centers. Thus, the unique structural configuration and electronic regulation simultaneously benefit catalytic activity and performance improvements. These NiFeM nanofoam catalysts demonstrated promising anode performance in actual AEMWEs, comparable to the IrO 2 reference, especially at high current densities. Notably, using various electrolytes (e.g., KOH solution or pure water) for AEMWEs exhibited a different performance trend among studied NiFeM catalysts, likely due to dynamic changes of catalysts under various OER environments.

25 ENERGY STORAGE↗

Titan's Ionospheric Chemistry, Fullerenes, Oxygen, Galactic Cosmic Rays and the Formation of Exobiological Molecules on and within its Surfaces and Lakes

We discuss the formation of aerosols within Titan's thermosphere-ionosphere and the different chemical pathways. Negative ion measurements by the Cassini Plasma Spectrometer (CAPS) Electron Spectrometer (ELS) give evidence for formation of unsaturated anion carbon chains, while positive ion measurements of the Cassini Ion Neutral Mass Spectrometer (INMS) indicate formation of more aromatic cation hydrocarbons. There is presently no direct observational evidence for large neutral molecule growth in Titan's thermosphere-ionosphere. The hydrocarbon cations are expected to form Polycyclic Aromatic Hydrocarbons (PAH), those with the addition of nitrogen being called PAHNs. We theorize anion carbon chains can eventually become long enough to fold into fullerene C(60,70) carbon shells, of various charge states. Based on laboratory data the fullerenes can trap incoming O(sup +) magnetospheric ions that have relatively high energy collisions with the fullerenes and, once trapped, protect the oxygen atom from Titan's reducing thermosphere-ionosphere. The fullerenes can form into larger onion fullerenes and condense into larger embryo aerosols (i.e., m/q > 10,000 amu/q anions as observed by CAPS/ELS) eventually falling onto Titan's surface and precipitating to the bottom of its hydrocarbon lakes. Molecule production composed of H, C, N is known to occur in Titan's atmosphere with energy input from the magnetosphere, solar UV, and deeppenetrating irradiation from galactic cosmic rays (GCR). Space radiation effects by GCR irradiation of Titan's surface and lakes can lead to the manufacture of exobiological molecules with oxygen as the new ingredient. We have developed a model of galactic cosmic ray irradiation of Titan's atmosphere, surface, subsurface and bottoms of Titan lakes. GCR would provide further energy for processing of the aerosols into more complex organic forms such as tholins and precursor molecules for amino acids. A second process called hydrolysis then converts the precursor molecules into amino acids. Hydrolysis is provided via meteor impacts with size > 10 km and cryovolcanism both which can produce liquid water on Titan's surface for episodic periods > several 100 to 1000 years. Our model shows that GCR secondary particles can penetrate ~ 100 m below the ice surface (including the bottom of Titan's less dense hydrocarbon lakes ~ 150 m depths) and produce chemically significant dosages over very long timescales ~ 450 Myrs. The GCR model is combined with laboratory data from experiments in which dry methyl ices were irradiated to doses producing prebiotic amino acids such as glycine. The model calculations show glycine can form to ~ 2.5 ppb levels near the surface after ~450 Myrs of GCR proton irradiation and potentially to 5 ppb if heavy-ion GCRs up through Fe are included. If such molecules were detected, this would not only confirm this model but indicate that life forms different from ours may not be required.

Edward C. Sittler Jr↗

Light‐driven Transformation of Carbon Monoxide into Hydrocarbons using CdS@ZnS : VFe Protein Biohybrids

Enzymatic Fisher-Tropsch (FT) process catalyzed by vanadium (V)-nitrogenase can convert carbon monoxide (CO) to longer-chain hydrocarbons (>C2) under ambient conditions, although this process requires high-cost reducing agent(s) and/or the ATP-dependent reductase as electron and energy sources. Using visible light-activated CdS@ZnS (CZS) core-shell quantum dots (QDs) as alternative reducing equivalent for the catalytic component (VFe protein) of V-nitrogenase, we first report a CZS : VFe biohybrid system that enables effective photo-enzymatic C−C coupling reactions, hydrogenating CO into hydrocarbon fuels (up to C4) that can be hardly achieved with conventional inorganic photocatalysts. Surface ligand engineering optimizes molecular and opto-electronic coupling between QDs and the VFe protein, realizing high efficiency (internal quantum yield >56 %), ATP-independent, photon-to-fuel production, achieving an electron turnover number of >900, that is 72 % compared to the natural ATP-coupled transformation of CO into hydrocarbons by V-nitrogenase. The selectivity of products can be controlled by irradiation conditions, with higher photon flux favoring (longer-chain) hydrocarbon generation. The CZS : VFe biohybrids not only can find applications in industrial CO removal for high-value-added chemical production by using the cheap, renewable solar energy, but also will inspire related research interests in understanding the molecular and electronic processes in photo-biocatalytic systems.

Chemistry↗

Sodium tungstate-promoted CaMnO 3 as an effective, phase-transition redox catalyst for redox oxidative cracking of cyclohexane

Oxidative cracking, which combines catalytic oxidation and cracking reactions, represents a promising approach to reduce the energy and carbon intensities for light olefin production from naphtha. The need to co-feed gaseous oxygen with hydrocarbons, however, leads to significant CO x formation and safety concerns. The cost and energy consumption associated with air separation also affects its economic attractiveness. In this study, we investigated a redox oxidative cracking (ROC) scheme and evaluated perovskites (La 0.8 Sr 0.2 FeO 3 and CaMnO 3 ) and Na 2 WO 4 -promoted perovskite (La 0.8 Sr 0.2 FeO 3 @Na 2 WO 4 and CaMnO 3 @Na 2 WO 4 ) as the redox catalysts for ROC. CaMnO 3 @Na 2 WO 4 redox catalyst shows high activity, selectivity, and stability for light olefin production from cyclohexane. Operated under a redox oxidative cracking (ROC) scheme, CaMnO 3 @Na 2 WO 4 enhances the catalytic cracking of cyclohexane, while showing high selectivity towards hydrogen combustion with its built-in, active lattice oxygen. Over three-fold increase in olefin yield compared to thermal cracking and 35% yield increase compared to conventional O 2 -cofeed oxidative cracking were achieved. Low energy ion scattering (LEIS), X-ray photoelectric spectroscopy (XPS), and differential scanning calorimetry (DSC) indicated a core-shell structure, where a molten Na 2 WO 4 layer covers the CaMnO 3 core. Na 2 WO 4 modifies the oxygen donation behavior of CaMnO 3 and provides a catalytically active surface for cyclohexane activation. In-situ XRD revealed that CaMnO 3 @Na 2 WO 4 exhibited excellent structural stability and regenerability. The transformation of Mn 4+ ↔ Mn 3+ ↔ Mn 2+ in CaMnO 3 , facilitated by reversible phase transition to (Ca/Mn)O solid solution, is responsible for the lattice oxygen donation and uptake during redox cycles. Electrochemical impedance spectroscopy (EIS) measurements further confirmed that the oxygen species were transported through the molten Na 2 WO 4 layer to participate in ROC. These findings offer mechanistic insights to design effective redox catalysts for hydrocarbon valorization using the chemical looping strategy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A computer graphics pilot project - Spacecraft mission support with an interactive graphics workstation

The NASA Computer Graphics Pilot Project was undertaken to enhance the quality control, productivity and efficiency of mission support operations at the Goddard Operations Support Computing Facility. The Project evolved into a set of demonstration programs for graphics intensive simulated control room operations, particularly in connection with the complex space missions that began in the 1980s. Complex mission mean more data. Graphic displays are a means to reduce the probabilities of operator errors. Workstations were selected with 1024 x 768 pixel color displays controlled by a custom VLSI chip coupled to an MC68010 chip running UNIX within a shell that permits operations through the medium of mouse-accessed pulldown window menus. The distributed workstations run off a host NAS 8040 computer. Applications of the system for tracking spacecraft orbits and monitoring Shuttle payload handling illustrate the system capabilities, noting the built-in capabilities of shifting the point of view and rotating and zooming in on three-dimensional views of spacecraft.

Hagedorn, John↗

Study of the doubly charmed tetraquark $\mathrm{T}$ $^+_{cc}$

Quantum chromodynamics, the theory of the strong force, describes interactions of coloured quarks and gluons and the formation of hadronic matter. Conventional hadronic matter consists of baryons and mesons made of three quarks and quark-antiquark pairs, respectively. Particles with an alternative quark content are known as exotic states. Here a study is reported of an exotic narrow state in the D 0 D 0 π + mass spectrum just below the D *+ D 0 mass threshold produced in proton-proton collisions collected with the LHCb detector at the Large Hadron Collider. The state is consistent with the ground isoscalar T$^{+}_{cc}$ tetraquark with a quark content of cc$\bar{u}\bar{d}$ and spin-parity quantum numbers J P = 1 + . Study of the DD mass spectra disfavours interpretation of the resonance as the isovector state. The decay structure via intermediate off-shell D *+ mesons is consistent with the observed D 0 π+ mass distribution. To analyse the mass of the resonance and its coupling to the D*D system, a dedicated model is developed under the assumption of an isoscalar axial-vector T$^{+}_{cc}$ state decaying to the D*D channel. Using this model, resonance parameters including the pole position, scattering length, effective range and compositeness are determined to reveal important information about the nature of the T$^{+}_{cc}$ state. In addition, an unexpected dependence of the production rate on track multiplicity is observed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

RBSE: Product development team research activity deliverables

The GHG Functions and Extensions to be added to the NASA Electronic Library System (NELS) 1.1 product are described. These functions will implement the 'output request' capability within the Object Browser. The functions will be implemented in two parts. The first part is a code to be added to the Object Browser (X version) to implement menus allowing the user to request that objects be copied to specific media, or that objects be downloaded to the user's system following a specific protocol, or that the object be printed to one of the printers attached to the host system. The second part is shell scripts which support the various menu selections. Additional scripts to support functions within the GHG shell (X version) will also be created along with the X version of the GHG Shell as initial capability for the 27 Mar. prototype. The scripts will be composed of C shell routines that will accept parameters (primary file pathways). Certain limitations in functionality will invoke Mail instead of Oracle Mail since that has yet to be delivered and the NELS invocation will default to the X-Windows version instead of the ASCII version.

Source record↗

Mechanistic Insights on Permeation of Water over Iron Cations in Nanoporous Silicon Oxide Films for Selective H 2 and O 2 Evolution

Electrocatalysts encapsulated by an ultrathin and semipermeable oxide layer offer a promising avenue for efficient, selective, and cost-effective production of hydrogen through photoelectrochemical water splitting. This architecture is especially attractive for Z-scheme water splitting, for which a nanoporous oxide film can be leveraged to mitigate undesired, yet kinetically facile, reactions involving redox shuttles, such as aqueous iron cations, by limiting transport of these species to catalytically active sites. In this work, molecular dynamics simulations were combined with electrochemical measurements to provide a mechanistic understanding of permeation of water and Fe(III)/Fe(II) redox shuttles through nanoporous SiO 2 films. It is shown that even for SiO 2 pores with a width as small as 0.8 nm, water does not experience any energy barrier for permeating into the pores due to a favorable interaction with hydrophilic silanol groups on the oxide surface. In contrast, permeation of Fe(III) and Fe(II) into microporous SiO 2 pores is limited due to high energy barriers, which stem from a combination of distortion and dehydration of the second and third ion solvation shells. Furthermore, our simulations and experimental results show that SiO 2 coatings can effectively mitigate undesired Fe(III)/Fe(II) redox reactions at underlying electrodes by attenuating permeation of iron cations, while allowing water to permeate and thus participate in water splitting reactions. In a broader context, our study demonstrates that selectivity of solvated cations can be manipulated by controlling the pore size and surface chemistry of oxide films.

14 SOLAR ENERGY↗

Multi-scale investigation on mechanical behavior and microstructural alteration of C-S-H in carbonated Alite paste

Carbonation treatment is a promising option to enhance recycled concrete aggregate (RCA) quality and eventually improve concrete performance. This study investigated the multi-scale mechanical properties of calcium silicate hydrates (C-S-H) in a mature alite paste subjected to accelerated carbonation treatment by testing macro compressive strength, microhardness and nanoindentation. The results show that, carbonation treatment resulted in a heterogeneous distribution of carbonation products in the alite sample. Reinforcement of C-S-H by the randomly precipitated calcite and vaterite crystals prevailed over the nano-structural and compositional alteration of C-S-H induced by carbonation, leading to an increase of nano-indentation modulus at the edge of the sample. Also, the microhardness at the edge zone was markedly higher than that at the core of the carbonated sample. The carbonated peripheral zone with improved nano-scale modulus and microhardness was likely serving as a “hard shell”, contributing to the improved macro compressive strength. The new insights into the multi-scale mechanical properties of carbonated C-S-H contribute to further understanding of the enhanced properties of RCA after carbonation treatment.

36 MATERIALS SCIENCE↗

Shells in the C2 coma of Comet P/Halley

We reanalyzed the CN images of Comet P/Halley, in which jets have been discovered for the first time, in search of shell structures. Shells were actually detected at the outer edges of the frames on those dates for which shells with radii small enough to be covered by the limited field of view of the CCD were predicted. The C2 images of the same data set were subjected to an analogous investigation which led to the discovery of shell structures in C2 as well. The morphology of the CN and the C2 shells is essentially equal on the same observational date. They have the same radii and show almost identical asymmetries which suggests that CN and C2 in the shells originate from the same general source. The comparison of the jets in both species before and after a two-dimensional continuum subtraction supports this supposition. The similar morphology of the jets indicates that both species are produced from the same bulk of precursor material which has been ejected in the form of jets from the same active area. However, similarly located and oriented jets in CN and C2 do not show similar relative intensities in most cases. These differences in the intensity distribution imply that the production rates of CN and C2 follow different laws.

Schulz, Rita↗

Using spin alignment of inelastically excited nuclei in fast beams to assign spins: The spectroscopy of 13 O as a test case

Excited states in O 13 were investigated using inelastic scattering of an E / A = 69.5 MeV O 13 beam off of a Be 9 target. The excited states were identified in the invariant-mass spectra of the decay products. Both single-proton and sequential two-proton decays of the excited states were examined. Furthermore, for a number of the excited states, the protons were emitted with strong anisotropy where emissions transverse to the beam axis are favored. The measured proton-decay angular distributions were compared to predictions from distorted-wave Born-approximation calculations of the spin alignment which was shown to be largely independent of the excitation mechanism. The deduced O 13 level scheme is compared to ab initio no-core shell model with continuum predictions. The lowest-energy excited states decay isotropically consistent with predictions of strong proton 1 s 1 / 2 structure. Above these states in the level scheme, we observed a number of higher-spin states not predicted within the model. Possibly these are associated with rotational bands built on deformed cluster configurations predicted by antisymmetrized molecular dynamics calculations. The spin alignment mechanism is shown to be useful for making spin assignments and may have widespread use.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗