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DOE OSTI2023

Exploring the Role of Neutral 4-Amino-1,2,4-triazole in the Formation of Hexanuclear f-Element Hydrolysis Products

Our recent observations of an unexpected Ce(III) hydrolysis product from the reaction of 4-amino-1,2,4-triazole (4-NH 2 -1,2,4-Triaz) with CeCl 3 ·7H 2 O, [Ce 6 (μ 3 -O) 4 (μ 3 -OH) 2 (μ 3 -Cl) 2 (Cl) 6 (μ 2 -4-NH 2 -1,2,4-Triaz) 12 ]·7H 2 O, the first high-nuclearity lanthanide complex where all Ln atoms are connected pairwise through 12 N-donor ligands or 12 neutral bridging ligands of any type, prompted us to explore the utility of this ligand in trapping additional f-element examples. Reactions of LnCl 3 ·6H 2 O (Ln = Nd, Eu, Ho) with a large excess of 4-NH 2 -1,2,4-Triaz (20 equiv) and with the addition of small amounts of water to help solubilize the metal salts led to the isolation of the unique hydrolysis products [Nd 6 (μ 3 -OH) 8 Cl 6 (μ 2 -4-NH 2 -1,2,4-Triaz) 12 ][Cl 4 ]·2H 2 O, [Eu 6 (μ 6 -Cl) 0.23 (μ 3 -O 0.77 ) 4 (μ 3 -O) 2.6 (μ 3 -Cl) 0.4 Cl 6 (μ 2 -4-NH 2 -1,2,4-Triaz) 12 ], and [Ho 6 (μ 6 -Cl) 0.21 (μ 3 -O 0.79 ) 4 (μ 3 -OH) 2 Cl 6 (μ 2 -4-NH 2 -1,2,4-Triaz) 12 ][Cl] 3.4 . Here, we also report a Ce(III) analogue prepared in glassware contaminated with Pb(OAc) 2 , namely, [Ce 6 (μ 3 -OH) 8 (BrPbBr 5 )(μ 2 -4-NH 2 -1,2,4-Triaz) 11.5 (OH 2 ) 6 ][Pb 0.84 Br 4.2 ][Br] 3.8 ·2(4-NH 2 -1,2,4-Triaz)·3.6H 2 O. The Nd(III) complex is the structurally most ordered with a clear [Nd 6 (μ 3 -OH) 8 ] cluster core, while the Eu(III) and Ho(III) compounds contain partial occupancy of a μ 6 position and thus result in an incomplete Ln 6 O 9 cluster core formation. The crystallographic results suggest that the 4-NH 2 -1,2,4-Triaz ligand brings Ln(III) ions together, followed by the formation of an Ln 6 O 8 or Ln 6 O 9 core with whatever remaining anions or ligands can be incorporated. Given the complexity of the hydrolysis products of nuclear waste, we expect to continue to find a myriad of closely related complex structures of these types for the f-elements.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

DOE OSTI2024

Uptake of arsenic and selenium on iron-doped Pb resin

We report the uptake of the radioisotopes 73 As and 75 Se was characterized on Fe 3+ -doped Pb resin (Eichrom Technologies) from pH 1 to 12. There is good uptake of arsenic and selenium over a wide pH range (~ 1 to 10) with a decrease only at high pH (~ 12). Column experiments were performed to demonstrate the separations of these elements from solutions with near neutral pH values (~ 6 to 8) with high yields and high radiopurity. These separations may be relevant for a wide variety of applications especially isotope harvesting research.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

NASA NTRS1988

A rapid method for the computation of equilibrium chemical composition of air to 15000 K

A rapid computational method has been developed to determine the chemical composition of equilibrium air to 15000 K. Eleven chemically reacting species, i.e., O2, N2, O, NO, N, NO+, e-, N+, O+, Ar, and Ar+ are included. The method involves combining algebraically seven nonlinear equilibrium equations and four linear elemental mass balance and charge neutrality equations. Computational speeds for determining the equilibrium chemical composition are significantly faster than the often used free energy minimization procedure. Data are also included from which the thermodynamic properties of air can be computed. A listing of the computer program together with a set of sample results are included.

Prabhu, Ramadas K.↗

NASA NTRS1987

Space experiments with particle accelerators (SEPAC): Description of instrumentation

SEPAC (Space Experiments with Particle Accelerators) flew on Spacelab 1 (SL 1) in November and December 1983. SEPAC is a joint U.S.-Japan investigation of the interaction of electron, plasma, and neutral beams with the ionosphere, atmosphere and magnetosphere. It is scheduled to fly again on Atlas 1 in August 1990. On SL 1, SEPAC used an electron accelerator, a plasma accelerator, and neutral gas source as active elements and an array of diagnostics to investigate the interactions. For Atlas 1, the plasma accelerator will be replaced by a plasma contactor and charge collection devices to improve vehicle charging meutralization. This paper describes the SEPAC instrumentation in detail for the SL 1 and Atlas 1 flights and includes a bibliography of SEPAC papers.

Taylor, W. W. L.↗

NASA NTRS2003

Excited Ejecta in Light of Sight from Eta Car

In the NUV spectrum of Eta Car, we have resolved many narrow absorption lines of neutral and singly-ionized elements with the Space Telescope Imaging Spectrograph. We report for the first time the detection of interstellar vanadium in absorption, and many highly-excited absorption lines of Fe, Cr, Ti, Ni, Co, Mn, and Mg. These elements, normally tied up in dust grains in the ISM, are located within wall of the Homunculus within 20,000 A.U. of Eta Car. Stellar radiation and stellar wind are interacting with the wall. Dust is likely being modified and/or destroyed. Previous Homunculus studies have demonstrated that nitrogen is overabundant and that carbon and oxygen emission lines are weak, or non-existent. Are the large column densities of these heavy elements due to abundance effects, excitation mechanisms, or modified grains? We may gain insight as Eta Car goes through its spectroscopic minimum in the summer of 2003.

Vieira, G.↗

NASA NTRS2011

The Square Kilometre Array

The Square Kilometre Array (SKA) will be the premier instrument to study radiation at centimetre and metre wavelengths from the cosmos, and in particular neutral hydrogen, the most abundant element in the universe. The SKA will probe the dawn of galaxy formation as well as allow advances in many other areas of astronomy, such as fundamental physics, astro-biology and cosmology. The SKA will have a collecting area of up to one million square metres spread over at least 3000 km, providing a collecting area more than twenty times greater than the current largest radio telescope. Its field of view on the sky will be several tens of square degrees with potentially several large (100 square degrees) independent beams at the lower frequencies, providing a survey speed many thousands of times greater than current facilities. This paper summarises the key science drivers of the SKA and provides an update on the international project.

interferometers↗

NASA NTRS1992

Reliability analysis of laminated CMC components through shell subelement techniques

An updated version of the integrated design program Composite Ceramics Analysis and Reliability Evaluation of Structures (C/CARES) was developed for the reliability evaluation of ceramic matrix composites (CMC) laminated shell components. The algorithm is now split into two modules: a finite-element data interface program and a reliability evaluation algorithm. More flexibility is achieved, allowing for easy implementation with various finite-element programs. The interface program creates a neutral data base which is then read by the reliability module. This neutral data base concept allows easy data transfer between different computer systems. The new interface program from the finite-element code Matrix Automated Reduction and Coupling (MARC) also includes the option of using hybrid laminates (a combination of plies of different materials or different layups) and allows for variations in temperature fields throughout the component. In the current version of C/CARES, a subelement technique was implemented, enabling stress gradients within an element to be taken into account. The noninteractive reliability function is now evaluated at each Gaussian integration point instead of using averaging techniques. As a result of the increased number of stress evaluation points, considerable improvements in the accuracy of reliability analyses were realized.

Starlinger, Alois↗

DOE OSTI2025

Enhanced sensitivity for electron affinity measurements of rare elements

The electron affinity (EA), the energy released when a neutral atom binds an additional electron, is a fundamental property of atoms that is governed by electron-electron correlations and is strongly related to an element’s chemical reactivity. However, conventional techniques for EA determination lack the experimental sensitivity to probe very scarce samples. As a result, the EA for the heaviest elements of the periodic table is entirely uncharted. Here, we present a novel technique to determine EAs through Laser Photodetachment Threshold Spectroscopy, performed in an electrostatic ion beam trap to increase the samples’ exposure to laser photons and, thus, improve the experimental signal sensitivity by three orders of magnitude. Moreover, the additional exposure time allows the use of lower-power continuous-wave narrow-band lasers that reduce uncertainties associated with broadening effects induced by the laser bandwidth. By applying this technique, we measure the EA of 35 Cl to be 3.612720(44) eV, achieving state-of-the-art precision while employing five orders of magnitude fewer anions. The demonstrated sensitivity paves the way for systematic EA measurements across isotopic chains - including isotope shifts and hyperfine splittings - and ultimately for the first direct determination of electron affinities in superheavy elements.

Maier, F. M. [Univ. of Greifswald (Germany); Europ↗

NASA NTRS1994

Technology Benefit Estimator (T/BEST): User's Manual

The Technology Benefit Estimator (T/BEST) system is a formal method to assess advanced technologies and quantify the benefit contributions for prioritization. T/BEST may be used to provide guidelines to identify and prioritize high payoff research areas, help manage research and limited resources, show the link between advanced concepts and the bottom line, i.e., accrued benefit and value, and to communicate credibly the benefits of research. The T/BEST software computer program is specifically designed to estimating benefits, and benefit sensitivities, of introducing new technologies into existing propulsion systems. Key engine cycle, structural, fluid, mission and cost analysis modules are used to provide a framework for interfacing with advanced technologies. An open-ended, modular approach is used to allow for modification and addition of both key and advanced technology modules. T/BEST has a hierarchical framework that yields varying levels of benefit estimation accuracy that are dependent on the degree of input detail available. This hierarchical feature permits rapid estimation of technology benefits even when the technology is at the conceptual stage. As knowledge of the technology details increases the accuracy of the benefit analysis increases. Included in T/BEST's framework are correlations developed from a statistical data base that is relied upon if there is insufficient information given in a particular area, e.g., fuel capacity or aircraft landing weight. Statistical predictions are not required if these data are specified in the mission requirements. The engine cycle, structural fluid, cost, noise, and emissions analyses interact with the default or user material and component libraries to yield estimates of specific global benefits: range, speed, thrust, capacity, component life, noise, emissions, specific fuel consumption, component and engine weights, pre-certification test, mission performance engine cost, direct operating cost, life cycle cost, manufacturing cost, development cost, risk, and development time. Currently, T/BEST operates on stand-alone or networked workstations, and uses a UNIX shell or script to control the operation of interfaced FORTRAN based analyses. T/BEST's interface structure works equally well with non-FORTRAN or mixed software analysis. This interface structure is designed to maintain the integrity of the expert's analyses by interfacing with expert's existing input and output files. Parameter input and output data (e.g., number of blades, hub diameters, etc.) are passed via T/BEST's neutral file, while copious data (e.g., finite element models, profiles, etc.) are passed via file pointers that point to the expert's analyses output files. In order to make the communications between the T/BEST's neutral file and attached analyses codes simple, only two software commands, PUT and GET, are required. This simplicity permits easy access to all input and output variables contained within the neutral file. Both public domain and proprietary analyses codes may be attached with a minimal amount of effort, while maintaining full data and analysis integrity, and security. T/BESt's sotware framework, status, beginner-to-expert operation, interface architecture, analysis module addition, and key analysis modules are discussed. Representative examples of T/BEST benefit analyses are shown.

Generazio, Edward R.↗

NASA NTRS2011

Effects of Low Activity Solar Cycle on Orbital Debris Lifetime

Long duration of low solar activity in the last solar minimum has an undesirable consequence of extending the lifetime of orbital debris. The AFRL TacSat-2 satellite decommissioned in 2008 has finally re-entered into the atmosphere on February 5th after more than one year overdue. Concerning its demise we have monitored its orbital decay and monthly forecasted Tacsat-2 re-entry since September 2010 by using the Orbital Element Prediction (OEP) model developed by the AFRL Orbital Drag Environment program. The model combines estimates of future solar activity with neutral density models, drag coefficient models, and an orbit propagator to predict satellite lifetime. We run the OEP model with solar indices forecast by the NASA Marshall Solar Activity Future Estimation model, and neutral density forecast by the MSIS-00 neutral density model. Based on the two line elements in 2010 up to mid September, we estimated at a 50% confidence level TacSat-2's re-entry time to be in early February 2011, which turned out to be in good agreement with Tacsat-2's actual re-entry date. The potential space weather effects of the coming low activity solar cycle on satellite lifetime and orbital debris population are examined. The NASA long-term orbital debris evolutionary model, LEGEND, is used to quantify the effects of solar flux on the orbital debris population in the 200-600 km altitude environment. The results are discussed for developing satellite orbital drag application product.

Cable, Samual B.↗

DOE OSTI2025

A fault-tolerant neutral-atom architecture for universal quantum computation

Quantum error correction (QEC) is essential for the realization of large-scale quantum computers. However, owing to the complexity of operating on the encoded ‘logical’ qubits, understanding the physical principles for building fault-tolerant quantum devices and combining them into efficient architectures is an outstanding scientific challenge. Here we use reconfigurable arrays of up to 448 neutral atoms to implement the key elements of a universal, fault-tolerant quantum processing architecture and experimentally explore their underlying working mechanisms. We first use surface codes to study how repeated QEC suppresses errors, demonstrating 2.14(13)x below-threshold performance in a four-round characterization circuit by leveraging atom loss detection and machine learning decoding. We then investigate logical entanglement using transversal gates and lattice surgery and extend it to universal logic through transversal teleportation with three-dimensional [[15,1,3]] codes, enabling arbitrary-angle synthesis with polylogarithmic overhead. Finally, we develop mid-circuit qubit reuse16, increasing experimental cycle rates by two orders of magnitude and enabling deep-circuit protocols with dozens of logical qubits and hundreds of logical teleportations with [[7,1,3]] and high-rate [[16,6,4]] codes while maintaining constant internal entropy. Our experiments show key principles for efficient architecture design, involving the interplay between quantum logic and entropy removal, judiciously using physical entanglement in logic gates and magic state generation, and leveraging teleportations for universality and physical qubit reset. These results establish foundations for scalable, universal error-corrected processing and its practical implementation in neutral atom systems.

atomic and molecular physics↗

DOE OSTI2022

The Climatic Impact‐Driver Framework for Assessment of Risk‐Relevant Climate Information

Abstract The climate science and applications communities need a broad and demand‐driven concept to assess physical climate conditions that are relevant for impacts on human and natural systems. Here, we augment the description of the “climatic impact‐driver” (CID) approach adopted in the Working Group I (WGI) contribution to the Intergovernmental Panel on Climate Change (IPCC) Sixth Assessment Report. CIDs are broadly defined as “physical climate system conditions (e.g., means, events, and extremes) that affect an element of society or ecosystems. Depending on system tolerance, CIDs and their changes can be detrimental, beneficial, neutral, or a mixture of each across interacting system elements and regions.” We give background information on the IPCC Report process that led to the development of the 7 CID types (heat and cold, wet and dry, wind, snow and ice, coastal, open ocean, and other) and 33 distinct CID categories, each of which may be evaluated using a variety of CID indices. This inventory of CIDs was co‐developed with WGII to provide a useful collaboration point between physical climate scientists and impacts/risk experts to assess the specific climatic phenomena driving sectoral responses and identify relevant CID indices within each sector. The CID Framework ensures that a comprehensive set of climatic conditions informs adaptation planning and risk management and may also help prioritize improvements in modeling sectoral dynamics that depend on climatic conditions. CIDs contribute to climate services by increasing coherence and neutrality when identifying and communicating relevant findings from physical climate research to risk assessment and planning activities.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

Boron and Lithium in Calcium Sulfate Veins: Tracking Precipitation of Diagenetic Materials in Vera Rubin Ridge, Gale Crater

The NASA Curiosity rover's ChemCam instrument suite has detected boron in calcium-sulfate-filled fractures throughout the sedimentary strata of Gale crater including Vera Rubin ridge. The presence of elevated B concentration provides insights into Martian subsurface aqueous processes. Here, we extend the data set of B in Ca-sulfate veins across Gale crater, comparing the detection frequency and relative abundances with Li. We report 33 new detections of B within veins analyzed between Sols 1548 and 2311 where detections increase in Pettegrove Point and Jura members, which form Vera Rubin ridge. The presence of B and Li in the Ca-sulfate veins is possibly due to dissolution of preexisting B in clays of the bedrock by acids or neutral water and redistribution of the elements into the veins. Elevated frequency of B detection in veins of Gale crater correlates with presence of dehydration features such as desiccation cracks, altered clay minerals and detections of evaporites such as Mg-sulfates and chloride salts in the host rocks. The increased observations of B also coincide with decreased Li concentration in the veins (average Li concentration of veins drops by ~15 ppm). Boron and Li have varying solubilities, and Li does not form salts as readily upon dehydration as B, causing it to remain in the solution. So the weak negative correlation between B and Li may reflect the crystallization sequence during dehydration on Vera Rubin ridge.

58 GEOSCIENCES↗

NASA NTRS1974

Solid state electro-optic color filter and iris

Test results obtained have confirmed the practicality of the solid state electro-optic filters as an optical control element in a television system. Neutral-density control range in excess of 1000:1 has been obtained on sample filters. Test results, measurements in a complete camera system, discussions of problem areas, analytical comparisons, and recommendations for future investigations are included.

Source record↗

NASA NTRS1984

ESCHER: An interactive mesh-generating editor for preparing finite-element input

ESCHER is an interactive mesh generation and editing program designed to help the user create a finite-element mesh, create additional input for finite-element analysis, including initial conditions, boundary conditions, and slidelines, and generate a NEUTRAL FILE that can be postprocessed for input into several finite-element codes, including ADINA, ADINAT, DYNA, NIKE, TSAAS, and ABUQUS. Two important ESCHER capabilities, interactive geometry creation and mesh archival storge are described in detail. Also described is the interactive command language and the use of interactive graphics. The archival storage and restart file is a modular, entity-based mesh data file. Modules of this file correspond to separate editing modes in the mesh editor, with data definition syntax preserved between the interactive commands and the archival storage file. Because ESCHER was expected to be highly interactive, extensive user documentation was provided in the form of an interactive HELP package.

Oakes, W. R., Jr.↗

NASA NTRS1991

Ultraviolet interstellar lines in the spectrum of Pi Scorpii recorded at 2 kilometers per second resolution

A spectrum of Pi Scorpii has been recorded from 1003 to 1172 A with a maximum SNR of about 20 and a velocity resolution of 2.4 km/s. Three types of H I as well as two discrete H II regions are distinguished in velocity space, allowing independent analyses of physical conditions and abundances for the individual gas components. A direct evaluation of optical depths and column densities across the absorption features is applied for the first time to the dominant ionization stage of Fe, Si, and P. Based on an analysis of the spectrum, it is concluded that all of the Ti II absorption seen toward Pi Sco arises in the warm, neutral intercloud medium while the other elements have their maximum absorption associated with cold clouds. A conservative value of log delta less than -3.4 is inferred for the Ti depletion in the cold clouds, a value more extreme than any integrated, line-of-sight measurement made to date.

Joseph, Charles L.↗

NASA NTRS1995

The anomalous nuclear component in the three-dimensional heliosphere

The anomalous nuclear component is neither of solar nor galactic cosmic ray origin. Its presence in the heliosphere is an independent probe for both interplanetary electrodynamical investigations--especially solar modulation--and probably the most direct means for determining the elemental and isotopic composition of those neutral atoms in the local interstellar medium that have high first ionization potentials (e.g., He, N, O, Ne, Ar, etc.). This report is a brief account of the evolution of our knowledge of this component for readers not specializing in the subject. Included are the initial discoveries of the component, its composition, spectra, heliospheric radial and latitudinal intensity gradients, modulation over the approximately 22 year solar magnetic cycle, trapping in the magnetosphere and its use for estimating the location of a heliospheric termination shock. Recent measurements from the ULYSSES spacecraft have provided conclusive evidence that incoming neutral atoms, after photoionization by solar uv, are picked up by the solar wind, thus lending support for the concept that after their acceleration--probably at a termination shock--they return to the inner heliosphere as pseudo-cosmic rays. ULYSSES spacecraft investigations extending to approximately 56 deg south latitude reveal, for both the anomalous nuclear component and the galactic cosmic rays, that there is a surprisingly small latitudinal intensity gradient. Thus, for the current phase of the solar cycle, modulation is much more spherically symmetric in the inner solar system than had generally been believed. A further surprise is the continual presence of approximately 26 day recurrent modulation at hight latitudes, without corresponding magnetic field compressions. These results are changing our ideas and requiring modification of our models for solar modulation in three dimensions.

Simpson, J. A.↗

NASA NTRS1998

Iogenic Plasma and its Rotation-Driven Transport in Jupiter's Magnetosphere

The relationship between the instantaneous neutral source rate at Io, the neutral cloud instantaneous accumulation rate, and the instantaneous loss rate of neutrals in the magnetosphere is formulated and discussed. These three quantities provide a conservation equation for the neutrals, where the latter quantity produces the iogenic plasma source of interest to this project. Refinements were implemented in the neutral cloud model to calculate all elements of this conservation equation.

Smyth, William H.↗