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NASA NTRS2005

Use of Field Programmable Gate Array Technology in Future Space Avionics

Fulfilling NASA's new vision for space exploration requires the development of sustainable, flexible and fault tolerant spacecraft control systems. The traditional development paradigm consists of the purchase or fabrication of hardware boards with fixed processor and/or Digital Signal Processing (DSP) components interconnected via a standardized bus system. This is followed by the purchase and/or development of software. This paradigm has several disadvantages for the development of systems to support NASA's new vision. Building a system to be fault tolerant increases the complexity and decreases the performance of included software. Standard bus design and conventional implementation produces natural bottlenecks. Configuring hardware components in systems containing common processors and DSPs is difficult initially and expensive or impossible to change later. The existence of Hardware Description Languages (HDLs), the recent increase in performance, density and radiation tolerance of Field Programmable Gate Arrays (FPGAs), and Intellectual Property (IP) Cores provides the technology for reprogrammable Systems on a Chip (SOC). This technology supports a paradigm better suited for NASA's vision. Hardware and software production are melded for more effective development; they can both evolve together over time. Designers incorporating this technology into future avionics can benefit from its flexibility. Systems can be designed with improved fault isolation and tolerance using hardware instead of software. Also, these designs can be protected from obsolescence problems where maintenance is compromised via component and vendor availability.To investigate the flexibility of this technology, the core of the Central Processing Unit and Input/Output Processor of the Space Shuttle AP101S Computer were prototyped in Verilog HDL and synthesized into an Altera Stratix FPGA.

Ferguson, Roscoe C.↗

NASA NTRS1999

Ferroelectric and Piezoelectric Properties of Blends of Poly(Vinylidene-Trifluoroethylene) and Graft Elastomer

A piezoelectric polymeric blend system has been developed. The system contains two components: ferroelectric poly(vinylidene-trifluoroethylene) and graft elastomer. The remanent polarization, Pr, and the piezoelectric strain coefficient, d31, of the blends have been studied as a function of relative composition of the two components, temperature and frequency. Both blended copolymer and graft unit in the elastomer contribute to the total crystallinity of the blend-system, and hence to the remanent polarization and piezoelectricity. The piezoelectric strain coefficient, d31, of the blend systems shows dependence on both the remanent polarization and the mechanical stiffness, which in turn are determined by the fraction of the two components in the blends. This mechanism makes it possible for the piezoelectric strain response of the blend to be tailored by adjusting the relative composition. Although Pr of the copolymer is higher than that of the blends, the blend films containing 75 wt.% copolymer exhibit a higher d31 at room temperature, possibly due to their lower modulus. The blend films containing 50 wt.% copolymer exhibit a constant value of d31, from room temperature to 70 C.

Su, J.↗

DOE OSTI2020

Effect of ethoxylation and lauryl alcohol on the self-assembly of sodium laurylsulfate: Significant structural and rheological transformation

Fatty alcohols are added to the surfactant solutions to modify foaming and lubrication properties, while the degree of ethoxylation is increased to improve mildness to the skin. However, it is envisioned that both parameters are capable of manipulating rheological and morphological properties. Therefore, an efficient control over the carbon chain length, amount of fatty alcohol and degree of ethoxylation could modify the surfactant self-assembly in an unprecedented way. The present work is focused on understanding the structural transformation, intermolecular interactions and rheological properties of the colloidal systems containing various amounts of lauryl alcohol (LA), and surfactant with varying degrees of ethoxylation. Additionally, combined small-angle neutron scattering (SANS), nuclear magnetic resonance (NMR) spectroscopy, rheological and morphological studies were performed to elucidate these properties. The results reveal that an increase in LA content increases the system viscosity ultimately forming a gel, and drives the assembly pattern of the surfactant from ellipsoidal micellar to lamellar via a vesicular and vesicular/lamellar mixed intermediates. Conversely, higher degrees of ethoxylation delay the onset of morphological transformation and gel formation. The interplay between hydrophobic and polar interactions coupled with hydrogen bonding interactions drive the overall rheological and morphological transformations. Therefore, fine-tuning residual chemicals can offer a novel tool for optimization of the product formulation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2018

Nuclear quantum effects enter the mainstream

Atomistic simulations of chemical, biological and materials systems have become increasingly precise and predictive owing to the development of accurate and efficient techniques that describe the quantum mechanical behaviour of electrons. Nevertheless, the overwhelming majority of such simulations still assumes that the nuclei behave as classical particles. Historically, this approximation could sometimes be justified owing to the complexity and computational overhead. However, neglecting nuclear quantum effects has become one of the largest sources of error, especially when systems containing light atoms are treated using current state-of-the-art descriptions of chemical interactions. Over the past decade, this realization has spurred a series of methodological advances that have dramatically reduced the cost of including these important physical effects in the structure and dynamics of chemical systems. We discuss how these developments are now allowing nuclear quantum effects to become a mainstream feature of molecular simulations. These advances have led to new insights into phenomena that are relevant to different areas of science — from biochemistry to condensed matter — and open the door to many exciting future opportunities.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2020

Hydrogen Transport in a Model 9979 Shipping Package with Inner Convenience Cans

Radiolytic hydrogen production and accumulation inside containment packages is a concern at any facility responsible for their packaging, storage, transportation, and/or disposal. When hydrogen gas accumulates to concentrations above the Lower Flammability Limit (LFL) which is 4% or 40,000 ppm in air, the possibility of a deflagration or explosion increases. This concern persists over the course of the package lifetime which is unlimited when disposed of by burial or in permanent repositories. Here, we report on a numerical model used to predict the concentration of hydrogen within each layer of a Model 9979 package containing a convenience can assembly. Simulations show the hydrogen concentration to always be highest in the inner convenience can containing the radioactive source. When the radioactive source is within the Los Alamos National Laboratory (LANL) Packaging Limits, the hydrogen concentration is shown to remain well below the LFL at all times including packaging, storage, transportation, and disposal. A hydrogen transport model is presented for a Model 9979 package system containing a nested arrangement of convenience cans, which are tin oxide coated steel cans of various sizes with a slip-lid assembly. The inner convenience can contains the radioactive source material along with an unknown quantity of incidental water acquired from humid air or processing. While visible organic materials such as paper and plastics were purposely excluded from the inner can, it is not possible to claim the wastes are entirely organic free. The inner convenience can is tape sealed and placed into a plastic bag which is horsetail closed (i.e., twisted and taped). The bagged can is placed into an outer convenience can that is also tape sealed. The can assembly is then placed into the 30 gallon drum and subsequently placed inside the 55 gallon drum in the 9979 package. Here we assume hydrogen gas is produced in the inner convenience can from alpha radiolysis of water at a rate dependent on the quantity of uranium isotopes and water present. The hydrogen transport model was used to calculate hydrogen accumulations within the package’s five layers at different times and conditions. These simulations serve two purposes; (i) to build confidence in the model by comparing predicted values to measured values, and (ii) to check the steady state hydrogen concentrations that are approached at long times in the package’s lifetime. Model simulations were compared to gas samples taken from the 30 gallon drum after storage at LANL’s Chemistry and Metallurgy Research (CMR) building for around 500 days. Hydrogen concentration calculations over much longer periods (i.e., more than 270 years) included extreme storage durations, transportation at extreme cold temperatures, and disposal of packages assuming different average temperatures.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2019

Biochemical and Structural Characterization of XoxG and XoxJ and Their Roles in Lanthanide-Dependent Methanol Dehydrogenase Activity

Lanthanide (Ln)-dependent methanol dehydrogenases (MDHs) have recently been shown to be widespread in methylotrophic bacteria. Along with the core MDH protein, XoxF, these systems contain two other proteins, XoxG (a c-type cytochrome) and XoxJ (a periplasmic binding protein of unknown function), about which little is known. In this work, we have biochemically and structurally characterized these proteins from the methyltroph Methylobacterium extorquens AM1. In contrast to results obtained in an artificial assay system, assays of XoxFs metallated with La III , Ce III , and Nd III using their physiological electron acceptor, XoxG, display Ln-independent activities, but the Km for XoxG markedly increases from La to Nd. We find that his result suggests that XoxG's redox properties are tuned specifically for lighter Lns in XoxF, an interpretation supported by the unusually low reduction potential of XoxG (+172 mV). The X-ray crystal structure of XoxG provides a structural basis for this reduction potential and insight into the XoxG–XoxF interaction. Finally, the X-ray crystal structure of XoxJ reveals a large hydrophobic cleft and suggests a role in the activation of XoxF. These studies enrich our understanding of the underlying chemical principles that enable the activity of XoxF with multiple lanthanides in vitro and in vivo.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1992

X-ray observations of planetary nebulae with binary nuclei

Einstein and EXOSAT satellite observations of X-ray emission from the planetary nebulae A63 and LoTr 5 are reviewed. Both of these systems contain binary central stars. No flux was detected from A63 (central star UU Sge). LoTr 5 (central star IN Com) is a previously unreported X-ray emitter; it showed no statistically significant X-ray variability. Three models for the source of the X-ray emission in such systems are considered in the light of these and previous results.

Apparao, K. M. V.↗

DOE OSTI2025

Including Physics-Informed Atomization Constraints in Neural Networks for Reactive Chemistry

Machine learning interatomic potentials (MLIPs) have emerged as powerful tools for investigating atomistic systems with high accuracy and a relatively low computational cost. However, a common and unaddressed challenge with many current neural network (NN) MLIP models is their limited ability to accurately predict the relative energies of systems containing isolated or nearly isolated atoms, which appear in various reactive processes. To address this limitation, we present a mathematical technique for modifying any existing atom-centered NN architecture to account for the energies of isolated atoms. The result produces a consistent prediction of the atomization energy (AE) of a system using minimal constraints on the model. Using this technique, we build a model architecture that we call hierarchically interacting particle neural network (HIP-NN)-AE, an AE-constrained version of the HIP-NN, as well as ANI-AE, the AE-constrained version of the accurate NN engine for molecular energies (ANI). Our results demonstrate AE consistency of AE-constrained models, which drastically improves the AE predictions for the models. We compare the AE-constrained approach to unconstrained models as well as models from the literature in other scenarios, such as bond dissociation energies, bond dissociation pathways, and extensibility tests. These results show that the constraints improve the model performance in some of these tasks and do not negatively affect the performance on any tasks. The AE constraint approach thus offers a robust solution to the challenges posed by isolated atoms in energy prediction tasks.

74 ATOMIC AND MOLECULAR PHYSICS↗

NASA NTRS2005

Advanced Technology Lifecycle Analysis System (ATLAS) Technology Tool Box (TTB)

The Advanced Technology Lifecycle Analysis System (ATLAS) is a decision support tool designed to aid program managers and strategic planners in determining how to invest technology research and development dollars. It is an Excel-based modeling package that allows a user to build complex space architectures and evaluate the impact of various technology choices. ATLAS contains system models, cost and operations models, a campaign timeline and a centralized technology database. Technology data for all system models is drawn from a common database, the ATLAS Technology Tool Box (TTB). The TTB provides a comprehensive, architecture-independent technology database that is keyed to current and future timeframes.

Doyle, Monica↗

DOE OSTI2019

A universal discoidal nanoplatform for the intracellular delivery of PNAs

Peptide nucleic acids (PNAs) have gained considerable attention due to their remarkable potential in gene editing and targeting-based strategies. However, cellular delivery of PNAs remains a challenge in developing their broader therapeutic applications. Here, we investigated a novel complex made of lipid bicelles and PNA-based carriers for the efficient delivery of PNAs. For proof of concept, PNAs targeting microRNA (miR) 210 and 155 were tested. Comprehensive evaluation of positive as well as negative charge-containing bicelles with PNA : lipid ratios of 1 : 100, 1 : 1000, and 1 : 2500 was performed. The negatively charged bicelles with a PNA : lipid molar ratio of 1 : 2500 yielded a discoidal shape with a uniform diameter of ~30 nm and a bilayer thickness of 5 nm, while the positively charged bicellar system contained irregular vesicles after the incorporation of PNA. Small-angle X-ray scattering (SAXS) analysis was performed to provide insight into how the hydrophobic PNAs interact with bicelles. Further, flow cytometry followed by confocal microscopy analyses substantiate the superior transfection efficiency of bicelles containing dyeconjugated antimiR PNAs. Functional analysis also confirmed miR inhibition by PNA oligomers delivered by bicelles. The nanodiscoidal complex opens a new pathway to deliver PNAs, which, on their own, are a great challenge to be endocytosed into cells.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2022

Soliton motion in skyrmion chains: Stabilization and guidance by nanoengineered pinning

Using a particle-based model we examine the depinning motion of solitons in skyrmion chains in quasi-one-dimensional (1D) and two-dimensional (2D) systems containing embedded 1D interfaces. Here, the solitons take the form of a particle or hole in a commensurate chain of skyrmions. Under an applied drive, just above a critical depinning threshold, the soliton moves with a skyrmion Hall angle of zero. For higher drives, the entire chain depins, and in a 2D system we observe that both the solitons and chain move at zero skyrmion Hall angle and then transition to a finite skyrmion Hall angle as the drive increases. In a 2D system with a 1D interface that is at an angle to the driving direction, there can be a reversal of the sign of the skyrmion Hall angle from positive to negative. Our results suggest that solitons in skyrmion systems could be used as information carriers in racetrack geometries that would avoid the drawbacks of finite skyrmion Hall angles. The soliton states become mobile at significantly lower drives than the depinning transition of the skyrmion chains themselves.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Wellbore cement alteration and roles of CO 2 and shale during underground hydrogen storage

To mitigate climate change and adopt renewable energy, energy storage is crucial and can be done in the form of hydrogen gas (H 2 ). Subsurface geologic reservoirs are positioned to store H 2 on the largest scales for the longest terms of all potential options. However, H 2 injection may boost reactions that consume hydrogen, generate undesired gases, and alter pore structures of geomedia. To explore the extent of H 2 -associated biotic reactions at a near wellbore location, four experiments were conducted under underground storage conditions with wellbore cement cores and, in most instances, shale samples submerged in synthetic formation brine. Post-reaction gas, aqueous, and solid phase samples were analyzed using olfactory screening and, later, gas chromatography (GC-MS), inductively coupled plasma optical emission spectroscopy (ICP-OES), scanning electron microscopy (SEM), and synchrotron micro-scale x-ray fluorescence (μ-XRF). Within a period of 16 weeks, hydrogen sulfide (H 2 S) was generated in systems containing both H 2 and shale. XRF mapping identified a zone enriched in iron(II) and reduced sulfur along the rim of cement cross sections that was largely associated with CO 2 -induced cement carbonation. Shale did not show noticeable alteration, but there is evidence it contributed to the initial inoculation of the system and provided nutrients for microbes via water-rock interactions. Here, this study considers both rock formations and wellbore cement not previously evaluated concurrently. Findings support understanding and modeling of H 2 -associated biogeochemical reactions during underground hydrogen storage.

36 MATERIALS SCIENCE↗

NASA NTRS1977

Dipole gravitational radiation in Rosen's theory of gravity - Observable effects in the binary system PSR 1913+16

It is shown that Rosen's (1973) bimetric theory of gravity predicts the emission of dipole gravitational radiation from binary systems containing neutron stars, such as the binary pulsar PSR 1913+16, which causes rapid changes in orbital period. The theory also predicts sizable corrections to masses inferred from orbital data and periastron-shift data. It is demonstrated that this prediction is inconsistent with the observed upper limit on period changes unless the system consists of two neutron stars whose masses differ by less than 0.3 solar mass, or a neutron star of mass less than 0.4 solar mass and a companion which must be a rapidly rotating white dwarf or a helium main-sequence star. Because Rosen's theory is in agreement with all solar-system experiments to date, this represents a feasible test of its viability.

Will, C. M.↗

DOE OSTI2022

Dimension-adaptive machine learning-based quantum state reconstruction

Here, we introduce an approach for performing quantum state reconstruction on systems of n qubits using a machine learning-based reconstruction system trained exclusively on m qubits, where m ≥ n. This approach removes the necessity of exactly matching the dimensionality of a system under consideration with the dimension of a model used for training. We demonstrate our technique by performing quantum state reconstruction on randomly sampled systems of one, two, and three qubits using machine learning-based methods trained exclusively on systems containing at least one additional qubit. The reconstruction time required for machine learning-based methods scales significantly more favorably than the training time; hence this technique can offer an overall saving of resources by leveraging a single neural network for dimension-variable state reconstruction, obviating the need to train dedicated machine learning systems for each Hilbert space.

42 ENGINEERING↗

DOE OSTI2021

Using a Chromatographic Pseudophase Model To Elucidate the Mechanism of Olefin Separation by Silver(I) Ions in Ionic Liquids

Silver(I) ions undergo selective olefin complexation and have been utilized in various olefin/paraffin separation techniques such as argentation chromatography and facilitated transport membranes. Ionic liquids (ILs) are solvents known for their low vapor pressure, high thermal stability, low melting points, and ability to promote a favorable solvation environment for silver(I) ion–olefin interactions. To develop highly selective separation systems, a fundamental understanding of analyte partitioning to the stationary phase and the thermodynamic driving forces behind solvation is required. In this study, a chromatographic model treating silver(I) ions as a pseudophase is constructed and employed for the first time to investigate the olefin separation mechanism in silver(I) salt/IL mixtures. Stationary phases containing varying amounts of noncoordinated silver(I) salt ([Ag + ][NTf 2 – ]) dissolved in the 1-decyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl]imide ([C 10 MIM + ][NTf 2 – ]) IL are utilized to determine the partition coefficients of various analytes including alkanes, alkenes, alkynes, aromatics, aldehyde, esters, and ketones. As ligand coordination to silver(I) ions is known to lower its olefin complexation capability, this study also examines two different types of coordinated silver(I) ion pseudophases, namely, monocoordinated silver(I) salt ([Ag + (1-decyl-2-methylimidazole, DMIM)][NTf 2 – ]) and dicoordinated silver(I) salt ([Ag + (1-methylimidazole, MIM)(DMIM)][NTf 2 – ]). The extent of olefin partitioning to the coordinated silver(I) ion pseudophases over the carrier gas and IL decreased by up to two orders of magnitude. Values for enthalpy, entropy, and free energy of solvation were determined for the three silver(I) ion-containing systems. Olefin retention was observed to be enthalpically dominated, while ligand coordination to the silver(I) ion pseudophase resulted in variations for both enthalpic and entropic contributions to the free energy of solvation. Furthermore, the developed model can be used to study chemical changes that occur in silver(I) ions over time as well as identify optimal silver(I) salt/IL mixtures that yield high olefin selectivity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

The SAGA Survey. III. A Census of 101 Satellite Systems around Milky Way–mass Galaxies

We present Data Release 3 (DR3) of the Satellites Around Galactic Analogs (SAGA) Survey, a spectroscopic survey characterizing satellite galaxies around Milky Way (MW)-mass galaxies. The SAGA Survey DR3 includes 378 satellites identified across 101 MW-mass systems in the distance range of 25–40.75 Mpc, and an accompanying redshift catalog of background galaxies (including about 46,000 taken by SAGA) in the SAGA footprint of 84.7 deg 2 . The number of confirmed satellites per system ranges from zero to 13, in the stellar mass range of 10 6−10 M ⊙ . Based on a detailed completeness model, this sample accounts for 94% of the true satellite population down to M ⋆ = 10 7.5 M ⊙ . We find that the mass of the most massive satellite in SAGA systems is the strongest predictor of satellite abundance; one-third of the SAGA systems contain LMC-mass satellites, and they tend to have more satellites than the MW. The SAGA satellite radial distribution is less concentrated than the MW's, and the SAGA quenched fraction below 10 8.5 M ⊙ is lower than the MW's, but in both cases, the MW is within 1σ of SAGA system-to-system scatter. SAGA satellites do not exhibit a clear corotating signal as has been suggested in the MW/M31 satellite systems. Although the MW differs in many respects from the typical SAGA system, these differences can be reconciled if the MW is an older, slightly less massive host with a recently accreted LMC/SMC system.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1995

A fuzzy logic intelligent diagnostic system for spacecraft integrated vehicle health management

Due to the complexity of future space missions and the large amount of data involved, greater autonomy in data processing is demanded for mission operations, training, and vehicle health management. In this paper, we develop a fuzzy logic intelligent diagnostic system to perform data reduction, data analysis, and fault diagnosis for spacecraft vehicle health management applications. The diagnostic system contains a data filter and an inference engine. The data filter is designed to intelligently select only the necessary data for analysis, while the inference engine is designed for failure detection, warning, and decision on corrective actions using fuzzy logic synthesis. Due to its adaptive nature and on-line learning ability, the diagnostic system is capable of dealing with environmental noise, uncertainties, conflict information, and sensor faults.

Wu, G. Gordon↗

DOE OSTI2021

Giant Outer Transiting Exoplanet Mass (GOT ‘EM) Survey. I. Confirmation of an Eccentric, Cool Jupiter with an Interior Earth-sized Planet Orbiting Kepler-1514

Despite the severe bias of the transit method of exoplanet discovery toward short orbital periods, a modest sample of transiting exoplanets with orbital periods greater than 100 days is known. Long-term radial velocity (RV) surveys are pivotal to confirming these signals and generating a set of planetary masses and densities for planets receiving moderate to low irradiation from their host stars. Here we conduct RV observations of Kepler-1514 from the Keck I telescope using the High Resolution Echelle Spectrometer. From these data, we measure the mass of the statistically validated giant (1.108 ± 0.023 R {sub J}) exoplanet Kepler-1514 b with a 218-day orbital period as 5.28 ± 0.22 M {sub J}. The bulk density of this cool (∼390 K) giant planet is 4.82{sub −0.25}{sup +0.26}g cm{sup −3}, consistent with a core supported by electron degeneracy pressure. We also infer an orbital eccentricity of 0.401{sub −0.014}{sup +0.013} from the RV and transit observations, which is consistent with planet–planet scattering and disk cavity migration models. The Kepler-1514 system contains an Earth-size, Kepler Object of Interest on a 10.5-day orbit that we statistically validate against false-positive scenarios, including those involving a neighboring star. The combination of the brightness (V = 11.8) of the host star and the long period, low irradiation, and high density of Kepler-1514 b places this system among a rare group of known exoplanetary systems and as one that is amenable to continued study.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗