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At least 127 records · Page 7

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DOE OSTI2020

Deposition of sulfate aerosols with positive Δ 33 S in the Neoarchean

Anomalous sulfur isotope compositions present in Archean rocks have been intensely scrutinized over the last 20 years because they record key aspects of Earth's atmospheric composition prior to the appearance of free molecular oxygen ca. 2.3 billion years ago. These isotopic compositions can be described as mass anomalous fractionations (MAF) and are produced in the atmosphere as UV light interacts with SO 2 molecules. Most interpretations suggest that atmospheric processes generate a reduced S-phase with a positive ( 33 S-enriched) MAF signature, as measured in pyrites, and an oxidized S-phase with a negative anomaly, as measured in bedded barite deposits. However, recent data for carbonate-associated sulfate (CAS) — a direct proxy for the isotopic composition of sulfur from seawater sulfate — in Neoarchean rocks showed no such negative values, but rather the opposite. To understand if the positive MAF anomalies we measured in Neoarchean CAS reflect secondary processes (diagenetic, metamorphic, handling) instead of original signals of Archean seawater sulfate, we collected additional sample suites with various degrees of preservation and metamorphic alteration across the Campbellrand-Malmani platform in South Africa. Results illustrate that within this comprehensive suite, less-altered samples all contain positive MAF values while secondary processes tend to either remove CAS from the sample and/or decrease the 33 S-enrichment. This positive MAF signal in sulfate is therefore reasonably interpreted as a primary depositional origin, and implies that the assumption that sulfate always carries a negative MAF anomaly throughout the Archean rock record needs to be reconsidered. Our CAS observations suggest that future experiments and calculations should also consider atmospheric and/or sulfur cycling processes that can produce oxidized sulfur with a positive MAF signature.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1996

Preserving Symmetry in Preconditioned Krylov Subspace Methods

We consider the problem of solving a linear system Ax = b when A is nearly symmetric and when the system is preconditioned by a symmetric positive definite matrix M. In the symmetric case, one can recover symmetry by using M-inner products in the conjugate gradient (CG) algorithm. This idea can also be used in the nonsymmetric case, and near symmetry can be preserved similarly. Like CG, the new algorithms are mathematically equivalent to split preconditioning, but do not require M to be factored. Better robustness in a specific sense can also be observed. When combined with truncated versions of iterative methods, tests show that this is more effective than the common practice of forfeiting near-symmetry altogether.

Chan, Tony F.↗

NASA NTRS2016

Development and Testing of a High-Precision Position and Attitude Measuring System for a Space Mechanism

This paper describes a high-precision optical metrology system - a unique ground test equipment which was designed and implemented for simultaneous precise contactless measurements of 6 degrees-of-freedom (3 translational + 3 rotational) of a space mechanism end-effector [1] in a thermally controlled ISO 5 clean environment. The developed contactless method reconstructs both position and attitude of the specimen from three cross-sections measured by 2D distance sensors [2]. The cleanliness is preserved by the hermetic test chamber filled with high purity nitrogen. The specimen's temperature is controlled by the thermostat [7]. The developed method excludes errors caused by the thermal deformations and manufacturing inaccuracies of the test jig. Tests and simulations show that the measurement accuracy of an object absolute position is of 20 micron in in-plane measurement (XY) and about 50 micron out of plane (Z). The typical absolute attitude is determined with an accuracy better than 3 arcmin in rotation around X and Y and better than 10 arcmin in Z. The metrology system is able to determine relative position and movement with an accuracy one order of magnitude lower than the absolute accuracy. Typical relative displacement measurement accuracies are better than 1 micron in X and Y and about 2 micron in Z. Finally, the relative rotation can be measured with accuracy better than 20 arcsec in any direction.

Khanenya, Nikolay↗

DOE OSTI2025

A method for bounding high-order finite element functions: Applications to mesh validity and bounds-preserving limiters

We introduce a novel method for bounding high-order multi-dimensional polynomials in finite element approximations. The method involves precomputing optimal piecewise-linear bounding boxes for polynomial basis functions, which can then be used to locally bound any combination of these basis functions. This approach can be applied to any element/basis type at any approximation order, can provide local (i.e., subcell) extremum bounds to a desired level of accuracy, and can be evaluated efficiently on-the-fly in simulations. Furthermore, we show that this approach generally yields more accurate bounds in comparison to traditional methods based on convex hull properties (e.g., Bernstein polynomials). Furthermore, the efficacy of this technique is shown in applications such as mesh validity checks and optimization for high-order curved meshes, where positivity of the element Jacobian determinant can be ensured throughout the entire element, and continuously bounds-preserving limiters for hyperbolic systems, which can enforce maximum principle bounds across the entire solution polynomial.

Bounding box↗

DOE OSTI2025

Simulating large one-dimensional neutral-atom quantum systems

While abstract models of quantum computation assume a closed system of two-level states, practical quantum devices inevitably couple to the environment in some way, creating sources of noise. Understanding the tolerance to noise of specific quantum algorithms run on specific devices is important for determining the feasibility of quantum computing in the current noisy intermediate-scale quantum era. Of particular interest is understanding the noise sensitivity of these devices as more qubits are added to the system. Classical simulations are a useful tool to understand the effects of this noise, but direct classical simulations of open quantum systems are burdened by an exponentially growing cost in the number of qubits and a large local Hilbert space dimension. For onedimensional, shallow circuits, using tensor networks can replace this exponential cost with a linear one and simulate far wider systems than what would normally be available. In this paper, we describe a tensor network simulation of a neutral atom quantum system under the presence of noise, while introducing a purity-preserving truncation technique that compromises between the simplicity of the matrix product state and the positivity of the matrix product density operator. We apply this simulation to a near-optimized iteration of the quantum approximate optimization algorithm on a transverse field Ising model in order to investigate the influence of large system sizes on the performance of the algorithm. We find that while circuits with a large number of qubits fail more often under noise that depletes the qubit population, their outputs on a successful measurement are just as robust under Rydberg atom dissipation or qubit dephasing as smaller systems. However, such circuits might not perform as well under coherent multiqubit errors such as Rydberg atom crosstalk. We also find that the optimized parameters are especially robust to noise, suggesting that a noisier quantum system can be used to find the optimal parameters before switching to a cleaner system for measurements of observables.

Allen, James↗

NASA NTRS2016

Al-Mg Isotope Study of Allende 5241

The defining characteristic of type B1 CAIs is a large (.5- 3mm) concentric melilite mantle [1]. In [2] we presented two isochrons from separate traverses across the melilite mantle of Allende EK 459-5-1. The primary petrographic differences between the traverses was the preservation of strong oscillatory zoning. The traverse that crossed the distinctive oscillatory zone produced a pristine internal isochron, while the other that did not have a strongly preserved oscillatory zone produced a disturbed isochron indicated by more scatter (higher MSWD) and a positive (delta)26Mg* intercept. The implication simply being that the oscillatory zone may represent varying conditions during the mantle formation event. We targeted a similar texture in Allende 5241 using the same methodology in an attempt to achieve similar results.

Kerekgyarto, A. G.↗

DOE OSTI2020

FPDetect: Efficient Reasoning About Stencil Programs Using Selective Direct Evaluation

We present FPDetect, a low-overhead approach for detecting logical errors and soft errors affecting stencil computations without generating false positives. We develop an offline analysis that tightly estimates the number of floating-point bits preserved across stencil applications. This estimate rigorously bounds the values expected in the data space of the computation. Violations of this bound can be attributed with certainty to errors. FPDetect helps synthesize error detectors customized for user-specified levels of accuracy and coverage. FPDetect also enables overhead reduction techniques based on deploying these detectors coarsely in space and time. Experimental evaluations demonstrate the practicality of our approach.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Uranium and Nickel Partitioning in a Contaminated Riparian Wetland

Uranium (U) and nickel (Ni) released 50 years ago have been immobilized in the Tims Branch wetlands located on the Savannah River Site in the United States. Sediments were collected from seven locations to identify the factors responsible for this attenuation. Ni and U contents in the solids were significantly correlated, suggesting that depositional as opposed to chemical processes contributed to their spatial distribution. Based on sequential extractions, 63 ± 16% of the U was partitioned into the organic fraction, whereas Ni was distributed between several sediment fractions. An inverse pH-organic matter (OM) correlation and positive correlations of OM with total U and organic-bound U/Ni suggest that increased OM preservation and binding to the mineral surfaces were likely responsible for Ni- and especially U-sediment retention (Tims Branch pH = 4.84 ± 0.68). EXAFS analysis indicated the predominance of U(VI) coordinated with clay minerals (~65%), together with ~35% coordinated to either OM (in areas with elevated OM levels) or iron oxides. The desorption-Kd coefficients of U (3972 ± 1370 L/kg) and Ni (30 ± 8 L/kg) indicate that dissolved Ni poses a greater long-term risk than dissolved U for migrating downstream. This study suggests that a delicate balance of geochemical properties controls whether wetlands behave as sinks or sources of contaminants.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗

NASA NTRS2019

Air Traffic Management Blockchain Infrastructure for Security, Authentication, and Privacy

Current radar-based air traffic service providers may preserve privacy for military and corporate operations by procedurally preventing public release of selected flight plans, position, and state data. The FAA mandate for national adoption of Automatic Dependent Surveillance Broadcast (ADS-B) in 2020 does not include provisions for maintaining these same aircraft-privacy options, nor does it address the potential for spoofing, denial of service, and other well-documented risk factors. This paper presents an engineering prototype that embodies a design and method that may be applied to mitigate these ADS-B security issues. The design innovation is the use of an open source permissioned blockchain framework to enable aircraft privacy and anonymity while providing a secure and efficient method for communication with Air Traffic Services, Operations Support, or other authorized entities. This framework features certificate authority, smart contract support, and higher-bandwidth communication channels for private information that may be used for secure communication between any specific aircraft and any particular authorized member, sharing data in accordance with the terms specified in the form of smart contracts. The prototype demonstrates how this method can be economically and rapidly deployed in a scalable modular environment.

air traffic privacy & authentication↗

NASA NTRS2019

Air Traffic Management Blockchain Infrastructure for Security, Authentication, and Privacy

ADS-B cybersecurity↗

DOE OSTI2026

A Structure-Preserving Decorated Particle Method for the Vlasov-Poisson System

We revisit the Scovel-Weinstein framework (Scovel & Weinstein, CPAM 1994) for reducing the Vlasov-Poisson system while preserving its Hamiltonian structure. Standard particle-in-cell (PIC) algorithms approximate the distribution function by macro-particles with position and velocity. In contrast, Scovel-Weinstein decorated particles involve additional shape degrees of freedom, while maintaining a finite-dimensional reduction with Hamiltonian structure inherited from the continuum model. Although the original work established this structure three decades ago, its computational potential has remained largely unexplored. We present a practical implementation of the Scovel-Weinstein model and compare it with a standard PIC algorithm. Numerical experiments demonstrate that macro-particles in standard PIC can be replaced by far fewer decorated particles while retaining comparable accuracy. This decorated particle approach offers a new structure-preserving paradigm for kinetic plasma simulation.

65M75, 70H05, 70G65↗

DOE OSTI2021

A conserved epitope III on hepatitis C virus E2 protein has alternate conformations facilitating cell binding or virus neutralization

Epitope III, a highly conserved amino acid motif of 524 APTYSW 529 on the hepatitis C virus (HCV) E2 glycoprotein, resides in the critical loop that binds to the host receptor CD81, thus making it one of the most important antibody targets for blocking HCV infections. Here, we have determined the X-ray crystal structure of epitope III at a 2.0-Å resolution when it was captured by a site-specific neutralizing antibody, monoclonal antibody 1H8 (mAb1H8). The snapshot of this complex revealed that epitope III has a relatively rigid structure when confined in the binding grooves of mAb1H8, which confers the residue specificity at both ends of the epitope. Such a high shape complementarity is reminiscent of the “lock and key” mode of action, which is reinforced by the incompatibility of an antibody binding with an epitope bearing specific mutations. By subtly positioning the side chains on the three residues of Tyr 527 , Ser 528 , and Trp 529 while preserving the spatial rigidity of the rest, epitope III in this cocrystal complex adopts a unique conformation that is different from previously described E2 structures. With further analyses of molecular docking and phage display–based peptide interactions, we recognized that it is the arrangements of two separate sets of residues within epitope III that create these discrete conformations for the epitope to interact selectively with either mAb1H8 or CD81. These observations thus raise the possibility that local epitope III conformational dynamics, in conjunction with sequence variations, may act as a regulatory mechanism to coordinate “mAb1H8-like” antibody-mediated immune defenses with CD81-initiated HCV infections.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

Specifications of Legacy U(Pu)Zr Metallography Data

The DOE Nuclear Energy Advanced Reactor Technologies (ART) Program has supported the creation of several databases with information describing the safety performance of fast reactors, components, and fuels. This growing collection of legacy experimental data, operating data, and analysis is available online to registered users. Metallography data is one of the most important types of PIE data being collected, organized and stored in several ART Fast Reactor Databases (https://frdb.ne.anl.gov), including the Fuels Irradiation & Physics Database (FIPD), Out-of-Pile Transient Database (OPTD), and TREAT (the Transient Reactor Test Facility) Experimental Relational Database (TREXR). These databases contain three main sets of metallography data. The first set is the metallography data from Experimental Breeder Reactor-II (EBR-II) and Fast Flux Test Facility (FFTF) irradiated fuel pins measured in the Hot Fuel Examination Facility (HFEF); the second set is the metallography data from EBR-II irradiated fuel pins measured in the Alpha-Gamma Hot Cell Facility (AGHCF); the third set is the metallography data from transient tested fuel pins (the transients tests include the out-of-pile tests and TREAT tests) measured in AGHCF. Since both the second and third sets of data were measured in AGHCF, they are governed by the same specification. The metallography data in the databases are digital images scanned from either positive or negative photos. The quality of the images, including their resolution and contrast, relies on the preserved quality of the pictures and the scanning conditions. To analyze the microstructure of a fuel pin, a series of preparatory steps must be undertaken. These include sectioning, epoxy mounting, mechanical grinding and polishing, and often etching. The resulting samples were then transferred to a secondary hot cell, or glovebox (depending the strength of radiation field) for microscopy examination. The specifications provided herein focus on the metallography examinations. The sample grinding, polishing and etching processes are also discussed. The procedures involving sectioning and epoxy mounting are out of the scope of the current specification; details can be found in the corresponding operation manuals. If more data are collected and added to the ART Fast Reactor Databases, this specification will be updated to accommodate the additional data.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS1988

Iridium abundance measurements across bio-event horizons in the geological record

Geochemical studies have been performed on thousands of rock samples collected across bio-event horizons in the fossil record using INAA for about 40 common and trace elements and radiochemical isolation procedures for Os, Ir, Pt, and Au on selected samples. These studies were begun soon after the Alvarez team announced their discovery of the Cretaceous-Tertiary (K-T) Ir anomaly in marine rock sequences in Europe. With their encouragement the Authors searched for the anomaly in nearby continental (freshwater coal swamp) deposits. In collaboration with scientists from the U.S.G.S. in Denver, the anomaly was located and it was observed that a floral crisis occurred at the same stratigraphic position as the Ir spike. Further work in the Raton Basin has turned up numerous well-preserved K-T boundary sections. Although the Authors have continued to study the K-T boundary and provide geochemical measurements for other groups trying to precisely locate it, the primary effort was turned to examining the other bio-events in the Phanerozoic, especially to those that are older than the terminal Cretaceous. A list of horizons that were examined in collaboration with paleontologists and geologists is given. Results are also given and discussed.

Orth, C. J.↗

NASA NTRS2014

Maximizing Science Return from Future Rodent Experiments on the International Space Station (ISS): Tissue Preservation

To better understand how mammals adapt to long duration habitation in space, a system for performing rodent experiments on the ISS is under development; Rodent Research-1 is the first flight and will include validation of both on-orbit animal support and tissue preservation. To evaluate plans for on-orbit sample dissection and preservation, we simulated conditions for euthanasia, tissue dissection, and prolonged sample storage on the ISS, and we also developed methods for post-flight dissection and recovery of high quality RNA from multiple tissues following prolonged storage in situ for future science. Mouse livers and spleens were harvested under conditions that simulated nominal, on-orbit euthanasia and dissection operations including storage at -80 C for 4 months. The RNA recovered was of high quality (RNA Integrity Number, RIN(is) greater than 8) and quantity, and the liver enzyme contents and activities (catalase, glutathione reductase, GAPDH) were similar to positive controls, which were collected under standard laboratory conditions. We also assessed the impact of possible delayed on-orbit dissection scenarios (off-nominal) by dissecting and preserving the spleen (RNAlater) and liver (fast-freezing) at various time points post-euthanasia (from 5 min up to 105 min). The RNA recovered was of high quality (spleen, RIN (is) greater than 8; liver, RIN (is) greater than 6) and liver enzyme activities were similar to positive controls at all time points, although an apparent decline in select enzyme activities was evident at the latest time (105 min). Additionally, various tissues were harvested from either intact or partially dissected, frozen carcasses after storage for approximately 2 months; most of the tissues (brain, heart, kidney, eye, adrenal glands and muscle) were of acceptable RNA quality for science return, whereas some tissues (small intestine, bone marrow and bones) were not. These data demonstrate: 1) The protocols developed for future flight experiments will support science return despite delayed preservation post-euthanasia or prolonged storage, and 2) Many additional tissues for gene expression analysis can be obtained by dissection following prolonged storage of the tissue in situ at -80 C. These findings have relevance both to high value, ground-based experiments when sample collection capability is severely constrained, and to all future spaceflight experiments that entail on-orbit sample recovery by the ISS crew.

tissues↗

NASA NTRS2014

Maximizing Science Return from Future Rodent Experiments on the International Space Station (ISS): Tissue Preservation

To better understand how mammals adapt to long duration habitation in space, a system for performing rodent experiments on the ISS is under development. Rodent Research-1 is the first flight and will include validation of both on-orbit animal support and tissue preservation. To evaluate plans for on-orbit sample dissection and preservation, we simulated conditions for euthanasia, tissue dissection, and prolonged sample storage on the ISS, and we also developed methods for post-flight dissection and recovery of high quality RNA from multiple tissues following prolonged storage in situ for future science return. Livers and spleens from mice were harvested under conditions that simulated nominal, on-orbit euthanasia and dissection procedures including storage at minus 80 degrees Centigrade for 4 months. The RNA recovered was of high quality (RNA Integrity Number, RNA Integrity Number (RIN) greater than 8) and quantity, and the liver enzyme contents and activities (catalase, glutathione reductase, GAPDH) were similar to positive controls, which were collected under standard laboratory conditions. We also assessed the impact of possible delayed on-orbit dissection scenarios (off-nominal) by dissecting and preserving the spleen (RNA, later) and liver (fast-freezing) at various time points post-euthanasia (from 5 minutes up to 105 minutes). The RNA recovered was of high quality (spleen, RIN greater than 8; liver, RIN greater than 6) and liver enzyme activities were similar to positive controls at all time points, although an apparent decline in select enzyme activities was evident at 105 minutes. Additionally, various tissues were harvested from either intact or partially dissected, frozen carcasses after storage for approximately 2 months; most of the tissues (brain, heart, kidney, eye, adrenal glands and muscle) were of acceptable RNA quality for science return, whereas some tissues (small intestine, bone marrow and bones) were not. These data demonstrate: 1) The protocols developed for future flight experiments will support science return despite delayed preservation post-euthanasia or prolonged storage, and 2) High-quality RNA samples from many different tissues can be recovered by dissection following prolonged storage of the tissue in situ at minus 80 degrees Centigrade. These findings have relevance both to high-value, ground-based experiments when sample collection capability is severely constrained, and to future spaceflight experiments that entail on-orbit sample recovery by the ISS crew.

tissues↗

DOE OSTI2020

A Computationally Efficient Linear Semi-Lagrangian Scheme for the Advection of Microphysical Variables in Cloud-Resolving Models

An efficient semi-Lagrangian (SL) numerical scheme for the advection of positive-definite microphysical variables in cloud-resolving models is proposed. The scheme is a linear combination of SL schemes of the first and second order. The proposed scheme is compared with two high-order, monotonic, nonlinear Eulerian schemes, in two 2D tests. In the first test, advection of a positive scalar field with large gradients is performed within complicated idealized steering flows. In the second test, a hail storm is simulated using the 2D Hebrew University Cloud Model, describing the interactions between 15 size distributions of different microphysical quantities (each distribution is described by 43 mass bins). The proposed scheme is computationally efficient, has a low numerical diffusion and a high level of mass conservation accuracy, and preserves the sum of multiple advected variables as well as the linear relationships between the advected scalar variables. Although the proposed SL scheme is not exactly positive definite, the negative values and their number, which may appear only in the case of very strong gradients, are negligible. The scheme produces results similar to those of nonlinear Eulerian advection schemes while reducing computation time by approximately a factor of 10.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Stabilized bases for high-order, interpolation semi-Lagrangian, element-based tracer transport

In a computational fluid model of the atmosphere, the advective transport of trace species, or tracers, can be computationally expensive. For efficiency, models often use semi-Lagrangian advection methods. High-order interpolation semi-Lagrangian (ISL) methods, in particular, can be extremely efficient, if the problem of property preservation specific to them can be addressed. Atmosphere models often use geometrically and logically nonuniform grids for efficiency and, as a result, element-based discretizations. Such grids and discretizations make stability a particular problem for ISL methods. Generally, high-order, element-based ISL methods that use the natural polynomial interpolant associated with a nodal finite-element discretization are unstable. Here, we derive new bases having order of accuracy up to nine, with positive nodal weights, that stabilize the element-based ISL method. We use these bases to construct the linear advection operator in the property-preserving Interpolation Semi-Lagrangian Element-based Transport (Islet) method. Then we discuss key software implementation details. Finally, we show performance results for the Energy Exascale Earth System Model's atmosphere dynamical core, comparing the original and new transport methods. These simulations used up to 27,600 Graphical Processing Units (GPU) on the Oak Ridge Leadership Computing Facility's Summit supercomputer.

97 MATHEMATICS AND COMPUTING↗