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DOE OSTI2019

Chemical and structural analysis of a photoactive vertebrate cryptochrome from pigeon

Computational and biochemical studies implicate the blue-light sensor cryptochrome (CRY) as an endogenous light-dependent magnetosensor enabling migratory birds to navigate using the Earth’s magnetic field. Validation of such a mechanism has been hampered by the absence of structures of vertebrate CRYs that have functional photochemistry. Here we present crystal structures of Columba livia (pigeon) CRY4 that reveal evolutionarily conserved modifications to a sequence of Trp residues (Trp-triad) required for CRY photoreduction. In ClCRY4, the Trp-triad chain is extended to include a fourth Trp (W369) and a Tyr (Y319) residue at the protein surface that imparts an unusually high quantum yield of photoreduction. These results are consistent with observations of night migratory behavior in animals at low light levels and could have implications for photochemical pathways allowing magnetosensing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Measurements of dihadron correlations relative to the event plane in Au+Au collisions at $\sqrt{s_{NN}} =200$ GeV*

Dihadron azimuthal correlations containing a high transverse momentum ($ p_{T} $) trigger particle are sensitive to the properties of the nuclear medium created at RHIC through the strong interactions occurring between the traversing parton and the medium, i.e. jet-quenching. Previous measurements revealed a strong modification to dihadron azimuthal correlations in Au+Au collisions with respect to p+p and d+Au collisions. The modification increases with the collision centrality, suggesting a path-length or energy density dependence to the jet-quenching effect. This paper reports STAR measurements of dihadron azimuthal correlations in mid-central (20%-60%) Au+Au collisions at $ \sqrt{s_{\rm{NN}}} = 200 $ GeV as a function of the trigger particle's azimuthal angle relative to the event plane, $ \phi_{s} = | \phi_{t}- \psi_{{\rm{EP}}}| $. The azimuthal correlation is studied as a function of both the trigger and associated particle $ p_{T} $. The subtractions of the combinatorial background and anisotropic flow, assuming Zero Yield At Minimum (ZYAM), are described. The correlation results are first discussed with subtraction of the even harmonic (elliptic and quadrangular) flow backgrounds. The away-side correlation is strongly modified, and the modification varies with $ \phi_{s} $, with a double-peak structure for out-of-plane trigger particles. The near-side ridge (long range pseudo-rapidity $ \Delta\eta $ correlation) appears to drop with increasing $ \phi_{s} $ while the jet-like component remains approximately constant. The correlation functions are further studied with the subtraction of odd harmonic triangular flow background arising from fluctuations. It is found that the triangular flow, while responsible for the majority of the amplitudes, is not sufficient to explain the $ \phi_{s} $-dependence of the ridge or the away-side double-peak structure. The dropping ridge with $ \phi_{s} $ could be attributed to a $ \phi_{s} $-dependent elliptic anisotropy; however, the physics mechanism of the ridge remains an open question. Even with a $ \phi_{s} $-dependent elliptic flow, the away-side correlation structure is robust. These results, with extensive systematic studies of the dihadron correlations as a function of $ \phi_{s} $, trigger and associated particle $ p_{T} $, and the pseudo-rapidity range $ \Delta\eta $, should provide stringent inputs to help understand the underlying physics mechanisms of jet-medium interactions in high energy nuclear collisions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2020

Density modification of cryo-EM maps

Density modification uses expectations about features of a map such as a flat solvent and expected distributions of density in the region of the macromolecule to improve individual Fourier terms representing the map. This process transfers information from one part of a map to another and can improve the accuracy of a map. Here, the assumptions behind density modification for maps from electron cryomicroscopy are examined and a procedure is presented that allows the incorporation of model-based information. Density modification works best in cases where unfiltered, unmasked maps with clear boundaries between the macromolecule and solvent are visible, and where there is substantial noise in the map, both in the region of the macromolecule and the solvent. It also is most effective if the characteristics of the map are relatively constant within regions of the macromolecule and the solvent. Model-based information can be used to improve density modification, but model bias can in principle occur. Here, model bias is reduced by using ensemble models that allow an estimation of model uncertainty. A test of model bias is presented that suggests that even if the expected density in a region of a map is specified incorrectly by using an incorrect model, the incorrect expectations do not strongly affect the final map.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2018

Condensation Surface Temperature as a Means for Studying Film Formation Mechanisms

A rise in the condensation surface temperature during film growth is a result of energy dissipation on the condensation surface. An example of energy dissipation is the dissipation of chemical reaction heat, which releases during film deposition by reactive magnetron sputtering. The monitoring of the surface temperature during TiN film deposition by reactive (Ti–in–N{sub 2}) and nonreactive (TiN–in–Ar or TiN–in–N{sub 2}) sputtering methods has shown that this temperature is higher in the reactive case and decreases in the (TiN–in–Ar)–(TiN–in–N{sub 2}) sequence of nonreactive sputtering modifications. It has been found that the composition and crystal structure of TiN films do not depend on the growth method and are identical to those of bulk titanium nitride. Based on these results, a formation mechanism of films obtained by the above methods has been suggested. In the case of reactive sputtering, the film was supposed to grow on the condensation surface through a reaction between titanium and nitrogen atoms. In the cases of nonreactive sputtering, the film forms from TiN molecules.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2020

Building models of inflation in no-scale supergravity

After reviewing the motivations for cosmological inflation formulated in the formalism of supersymmetry, we argue that the appropriate framework is that of no-scale supergravity. We then show how to construct within this framework inflationary models whose predictions for the tilt in the spectrum of scalar perturbations, n s , and the ratio, r, of tensor and scalar perturbations coincide with those of the R+R 2 model of inflation proposed by Starobinsky. Here, a more detailed study of no-scale supergravity reveals a structure that is closely related to that of R 2 modifications of the minimal Einstein–Hilbert action for general relativity, opening avenues for constructing no-scale de Sitter and anti-de Sitter models by combining pairs of Minkowski models, as well as generalizations of the original no-scale Starobinsky models of inflation.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2018

Enhancement of the Extraction of Uranium from Seawater

Due to the limited uranium resources available for recovery through mining and ore processing and to the environmental problems associated with these operations, the future of nuclear power depends, to a large extent, on the feasibility of recovery of uranium from the ocean. While the amounts of uranium in the ocean are sufficient to fulfill the nuclear industry for many thousands of years, recovery of uranium from the ocean is hampered by its low concentration (3.3 parts per billion) and the presence of many other solutes in seawater at comparable or much higher concentrations. Thus, the only hope for economically viable recovery of uranium from the ocean lies in the development of adsorbents with high capacity and high selectivity for uranium as present in the seawater environment (pH 8.1, U(VI) oxidation state, anionic carbonate complexes). Moreover, it is quite unlikely that economically viable recovery of uranium could be achieved if the adsorbent could be used only once. Thus it is essential to develop adsorbents that can be used through multiple cycles of uranium adsorption followed by elution of the uranium to regenerate the adsorbent without significant degradation of their capacity and selectivity for uranium. Adsorbents used in the large majority of studies aimed at recovery of uranium from seawater are based on the use of radiation grafting to produce polymeric supports, in particular polyethylene, with attached amidoxime groups. This configuration has been concluded to offer the best candidate for use in recovery based on studies which were performed in the early 1980’s. Substantial progress has been made in improving the amidoxime-based adsorbents. The basic approach undertaken by the authors of the proposal, on the other hand, has been to test ligands which have not been included in the scoping studies of the 1980’s or have been developed since then. So far, 18 such ligands have been tested, of which three, including B2MP (an organic phosphate), DAOx (an organic oxalate), and Br-PADAP (an azo compound) have been selected for further investigation. In addition, Winged Nylon 6 has been identified as a promising polymeric support in view of its large surface area and high chemical stability. Furthermore, improved grafting techniques intended to achieve high grafting density under “green chemistry” conditions, i.e., in aqueous media, have been developed. These techniques include the use of surfactants to enhance the solubility of ligands in water and the use of a homopolymerization inhibitor to promote grafting rather than homopolymerization. Furthermore, unlike amidoxime-based adsorbents, which require a chemical treatment step following the radiation grafting to convert a nitrile group to amidoxime, the adsorbents developed by the authors do not require an additional step after grafting. Highly effective regeneration has been demonstrated for the phosphate-grafted polymeric adsorbent over at least 21 adsorption/elution cycles without significant loss of capacity. The currently proposed study is intended to build upon the progress made so far in developing alternative systems for removal of uranium from seawater. It will focus on the following objectives: Continued searches will be conducted for high-capacity, high-selectivity ligands based on systematic characterization of structural features favorable to uranium adsorption. (For instance, phosphates have been found to be much more effective than the corresponding phosphonates). At the same time, development and testing of the three ligands selected so far will continue, focusing on issues such as high grafting densities and effective regeneration. Testing will be conducted in non-spiked sweater (3.3 µg/L U) and lightly spiked seawater (up to 10 µg/L U). The authors have recently been able to refurbish an ICP-MS spectrometer for this purpose. Improved grafting techniques will be developed and refined for specific ligands. These techniques will include the use of surfactants to allow grafting of ligands with low solubility in water, the use of homopolymerization inhibitors, modifying the chemical structure of ligands to introduce C=C bonds, investigating possible modification of the surface of the polymeric support, and mechanistic analysis of the effects of grafting conditions, in particular accumulated dose and dose rate. Improvements in the characterization of adsorbents before and after contact with seawater will be implemented using techniques such as XPS, SEM-EDS, and zeta potential measurements to investigate the mechanism of uranium adsorption. Effective techniques of multi-cycle regeneration of promising adsorbents without degradation of their performance will be developed and refined through testing of mild, preferably near-neutral eluant solutions. The kinetics of adsorption and desorption of uranium will be investigated. This study is of great operational value and it will also greatly contribute to improved understanding of adsorption/desorption mechanism on promising adsorbents.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2023

Development of Metal-Free Photocatalysts

Solar fuels show great promise as clean, sustainable energy sources; however, established technologies are still plagued by high price, toxicity concerns, or low efficiencies. There is a critical need for inexpensive, benign materials that can effectively harness the sun’s energy. The overarching objective of this project is to evaluate the compatibility of novel material combinations for use as metal-free, heterojunction photocatalysts. Our central hypothesis is that by tuning the electronic structure of individual components in hybrid composites, via selective chemical modifications and physical stimuli to the interface, we can improve the photocatalytic properties of the overall assembly. We will determine factors that affect energy band gaps and band edge positions in isolated photocatalyst systems as well as explore routes to modulate heterojunction band alignments in composite assemblies. Our results will predict accessible pathways for charge carriers in new composite photocatalysts, facilitating access to more of the solar spectrum via inexpensive, environmentally-friendly material combinations.

14 SOLAR ENERGY↗

DOE OSTI2023

Universal Utility Data Exchange (UUDEX): Information Exchange Models for Solar DER (Rev. 1)

This report describes how the Universal Utility Data Exchange (UUDEX) can encapsulate and exchange information about distributed energy resources (DER) within UUDEX-formatted JSON documents. It proposes to use the existing extensible markup language (XML) information exchange format described in IEEE Std 2030.5, IEEE Standard for Smart Energy Profile Application Protocol but not other information exchange provisions of IEEE 2030.5, rather, relying on equivalent mechanisms in UUDEX. This will allow adoption of the UUDEX exchanges with minimal changes to the structure of the information exchanged and will not require a modification to the UUDEX documentation if IEEE 2030.5 makes changes to the information models.

14 SOLAR ENERGY↗

DOE OSTI2023

Universal Utility Data Exchange (UUDEX): Information Exchange Models for Solar DER

42 ENGINEERING↗

NASA NTRS1971

Multilayer Insulation Thermal Protection Systems Technology

A summary is presented of the work performed by Marshall Space Flight Center (MSFC) and industry toward the development of flight-type multilayer insulation(MLI) systems. The MSFC MLI program is divided into three large categories: (1) the generation and compilation of MLI composite test data; (2) the analysis, design, and testing of heat flow through MLI applied to ducting, seams, electrical feedthroughs, structural supports, and the tank sidewall; and (3) the development, modification, and utilization of new testing procedures, tanks, and the test facilities. Numerous data have been generated, analyzed, and documented on different MLI composites.

E H Hyde↗

NASA NTRS1975

Results of an aerodynamic investigation of a space shuttle orbiter/747 carrier vehicle configuration to establish a free-stream data base for ALT separation investigations, utilizing a 0.0125-scale model (48-0/AX1318I-1) in the ARC 14-foot wind tunnel (CA23A)

Force and moment data are presented which were obtained for each vehicle separately at a Mach number of 0.6, and for the mated orbiter/747 configuration at Mach numbers of 0.3, 0.5, 0.6, and 0.7. Orbiter angles of attack from 0 degrees to +12 degrees and 747/Carrier angles of attack from -3 degrees to +7 degrees were investigated at angles of sideslip of 0 degrees and -5 degrees. Model variables include orbiter elevon and rudder deflections, orbiter tail cone-on and off, various orbiter/747 attach structure configurations, 747 stabilizer and rudder deflections, and 747 CAM modification components-on and off. Photographs of test configurations are included.

Gillins, R. L.↗

NASA NTRS1980

Turbulence suppression in free shear flows by controlled excitation

The mechanism of turbulence suppression in the near field of a free shear flow under controlled acoustic excitation is investigated. The near fields of four circular air jets, a plane air jet and a large single-stream plane free air mixing layer with laminar efflux boundary layers were monitored with hot-wire anemometers. The suppression effect is found to occur over the entire frequency range in all the flows studied, with maximal suppression (as much as 80%) at about 400 initial shear layer momentum thicknesses downstream from the exit and for excitation at a Strouhal number of 0.017. Suppression is shown to be a consequence of excitation-induced modification of the shear layer instability mode and the resulting structure, and to occur at the excitation frequency corresponding to the maximally unstable disturbance frequency of the initial free shear layer. Flow visualization reveals the presence of strong, large-scale vortical structures in the unexcited flow, which are weakened and diminished by excitation. It is concluded that excitation produces rapid roll-up and early breakdown of the shear layer, thus inhibiting the formation of energetic large-scale vortices and reducing the large fluctuation intensities caused by the passage and interaction of these vortices.

Zaman, K. B. M. Q.↗

NASA NTRS1985

Improved cross section calculations for astrophysical applications

Modifications are proposed for the semiempirical equations and parameters of Silberberg and Tsao (1973) for partial cross section calculations of proton-nucleus reactions in cosmic rays. These modifications include: adjustment of general parameters; modification of energy dependence; effects of nuclear alpha-particle structure, deuteron emission, and even-charged products; peripheral reactions; fission reactions; averaging cross sections near boundaries of different parameters; elimination of certain special cases; and treatment of the Pt to Pb group that cannot yet be generalized to Z(t) less than 76.

Silberberg, R.↗

NASA NTRS1986

Large space reflector technology on the Space Station

This paper discusses the role of the Space Station in the evolutionary development of large space reflector technology and the accommodation of mission systems which will apply large space reflectors during the late 1990s and the early part of the next century. Reflectors which range from 10 to 100 meters in size and which span the electromagnetic spectrum for applications that include earth communications, earth observations, astrophysics and solar physics, and deep space communications are discussed. The role of the Space Station in large space reflector technology development and system performance demonstration is found to be critical; that role involves the accommodation of a wide variety of technology demonstrations and operational activities on the Station, including reflector deployment and/or assembly, mechanical performance verification and configuration refinement, systematic diagnostics of reflector surfaces, structural dynamics and controls research, overall system performance characterization and modification (including both radio frequency field pattern measurements and required end-to-end system demonstrations), and reflector-to-spacecraft integration and staging. A unique facility for Space Station-based, large space reflector research and development is proposed. A preliminary concept for such a Space Station-based Large Space Reflector Facility (LSRF) is described.

Mankins, J. C.↗

NASA NTRS1987

High temperature (900-1300 C) mechanical behaviour of dendritic web grown silicon ribbons - Strain rate and temperature dependence of the yield stress

The mechanical behavior of dendritic web Si ribbons close the melting point was studied experimentally. The goal of the study was to generate data for modeling the generation of stresses and dislocation structures during growth of dendritic web Si ribbons, thereby permitting modifications to the production process, i.e., the temperature profile, to lower production costs for the photovoltaic ribbons. A laser was used to cut specimens in the direction of growth of sample ribbons, which were then subjected to tensile tests at temperatures up to 1300 C in an Ar atmosphere. The tensile strengths of the samples increased when the temperature rose above 1200 C, a phenomena which was attributed to the diffusion of oxygen atoms to the quasi-dislocation sites. The migration to the potential dislocations sites effectively locked the dislocations.

Mathews, V. K.↗

NASA NTRS1991

On the thermodynamic framework of generalized coupled thermoelastic-viscoplastic-damage modeling

A complete potential based framework using internal state variables is put forth for the derivation of reversible and irreversible constitutive equations. In this framework, the existence of the total (integrated) form of either the (Helmholtz) free energy or the (Gibbs) complementary free energy are assumed a priori. Two options for describing the flow and evolutionary equations are described, wherein option one (the fully coupled form) is shown to be over restrictive while the second option (the decoupled form) provides significant flexibility. As a consequence of the decoupled form, a new operator, i.e., the Compliance operator, is defined which provides a link between the assumed Gibb's and complementary dissipation potential and ensures a number of desirable numerical features, for example the symmetry of the resulting consistent tangent stiffness matrix. An important conclusion reached, is that although many theories in the literature do not conform to the general potential framework outlined, it is still possible in some cases, by slight modifications of the used forms, to restore the complete potential structure.

Arnold, S. M.↗

NASA NTRS1992

Nonlinear acoustics and the thermal expansivity of glass

The paper shows the intrinsic relationship between acoustical nonlinearity and the thermal expansivity of crystalline solids (a thermal measure of anharmonicity) from consideration of the 'static' radiation field generated by the vibrating lattice (atomic) sources of the crystal. A modification of the theory to account for long-range structural disorder in glass is proposed and applied to an explanation of the zero thermal expansivity at the cross-over temperature in silicate and titanium silicate glasses. Experimental evidence which validates the essential features of the theory is presented. An application of nonlinearity measurement, based on these results, to the processing of ULE glass, where the addition of titanium in various amounts is used to establish the temperature at which the zero thermal expansivity occurs, is suggested.

Cantrell, John H.↗

NASA NTRS1985

Use of wind data in global modelling

The European Centre for Medium Range Weather Forecasts (ECMWF) is producing operational global analyses every 6 hours and operational global forecasts every day from the 12Z analysis. How the wind data are used in the ECMWF golbal analysis is described. For each current wind observing system, its ability to provide initial conditions for the forecast model is discussed as well as its weaknesses. An assessment of the impact of each individual system on the quality of the analysis and the forecast is given each time it is possible. Sometimes the deficiencies which are pointed out are related not only to the observing system itself but also to the optimum interpolation (OI) analysis scheme; then some improvements are generally possible through ad hoc modifications of the analysis scheme and especially tunings of the structure functions. Examples are given. The future observing network over the North Atlantic is examined. Several countries, coordinated by WMO, are working to set up an 'Operational WWW System Evaluation' (OWSE), in order to evaluate the operational aspects of the deployment of new systems (ASDAR, ASAP). Most of the new systems are expected to be deployed before January 1987, and in order to make the best use of the available resources during the deployment phase, some network studies are carried out at the present time, by using simulated data for ASDAR and ASAP systems. They are summarized.

Pailleux, J.↗