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All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Hierarchical Gaussian Random Field Sampling for Multilevel Markov Chain Monte Carlo: Coupling Stochastic Partial Differential Equation and the Karhunen–Loève Decomposition

This work introduces structure preserving hierarchical decompositions for sampling Gaussian random fields (GRFs) within the context of multilevel Bayesian inference in high-dimensional space. Existing scalable hierarchical sampling methods, such as those based on stochastic partial differential equations (SPDEs), often reduce the dimensionality of the sample space at the cost of accuracy of inference. Other approaches, such that those based on Karhunen-Loève (KL) expansions, offer sample space dimensionality reduction but sacrifice GRF representation accuracy and ergodicity of the Markov chain Monte Carlo (MCMC) sampler and are computationally expensive for high-dimensional problems. The proposed method integrates the dimensionality reduction capabilities of KL expansions with the scalability of SPDE-based sampling, thereby providing a robust, unified framework for high-dimensional uncertainty quantification (UQ) that is scalable and accurate, preserves ergodicity, and offers dimensionality reduction of the sample space. The hierarchy in our multilevel algorithm is derived from the geometric multigrid hierarchy. By constructing a hierarchical decomposition that maintains the covariance structure across the levels in the hierarchy, the approach enables efficient coarse-to-fine sampling while ensuring that all samples are drawn from the desired distribution. The effectiveness of the proposed method is demonstrated on a benchmark subsurface flow problem, demonstrating its effectiveness in improving computational efficiency and statistical accuracy. Furthermore, our proposed technique is more efficient and accurate and displays better convergence properties than existing methods for high-dimensional Bayesian inference problems.

Gaussian random fields↗
DOE OSTI2017

Multiresolution molecular mechanics: Surface effects in nanoscale materials

Surface effects have been observed to contribute significantly to the mechanical response of nanoscale structures. The newly proposed energy-based coarse-grained atomistic method Multiresolution Molecular Mechanics (MMM) (Yang, To (2015), ) is applied to capture surface effect for nanosized structures by designing a surface summation rule SR{sup S} within the framework of MMM. Combined with previously proposed bulk summation rule SR{sup B}, the MMM summation rule SR{sup MMM} is completed. SR{sup S} and SR{sup B} are consistently formed within SR{sup MMM} for general finite element shape functions. Analogous to quadrature rules in finite element method (FEM), the key idea to the good performance of SR{sup MMM} lies in that the order or distribution of energy for coarse-grained atomistic model is mathematically derived such that the number, position and weight of quadrature-type (sampling) atoms can be determined. Mathematically, the derived energy distribution of surface area is different from that of bulk region. Physically, the difference is due to the fact that surface atoms lack neighboring bonding. As such, SR{sup S} and SR{sup B} are employed for surface and bulk domains, respectively. Two- and three-dimensional numerical examples using the respective 4-node bilinear quadrilateral, 8-node quadratic quadrilateral and 8-node hexahedral meshes are employed to verify and validate the proposed approach. It is shown that MMM with SR{sup MMM} accurately captures corner, edge and surface effects with less 0.3% degrees of freedom of the original atomistic system, compared against full atomistic simulation. The effectiveness of SR{sup MMM} with respect to high order element is also demonstrated by employing the 8-node quadratic quadrilateral to solve a beam bending problem considering surface effect. In addition, the introduced sampling error with SR{sup MMM} that is analogous to numerical integration error with quadrature rule in FEM is very small. - Highlights: • Surface effect captured by Multiresolution Molecular Mechanics (MMM) is presented. • A novel surface summation rule within the framework of MMM is proposed. • Surface, corner and edges effects are accuterly captured in two and three dimension. • MMM with less 0.3% degrees of freedom of atomistics reproduces atomistic results.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2017

Geothermal Play Fairway Analysis of the Snake River Plain: Phase 2

Play Fairway Analysis (PFA) is a methodology adapted from the petroleum industry that integrates data at the regional or basin scale to define favorable plays for exploration in a systematic fashion. Phase 2 of our Play Fairway Analysis of the Western Snake River Plain (WSRP) province in southern Idaho had three primary goals: first, to fill data gaps in critical areas in order to better define potential prospects, second, to integrate these data into new thermal and structural models, and finally, to infer the location of potential resources and drilling targets that could be validated during Phase 3. Prospects in the WSRP identified as potential target resources for Phase 3 validation include the Mountain Home region close to the Air Force Base, and the Camas Prairie. The Mountain Home region represents a blind geothermal resource in an area of high heat flow and young volcanism. The Camas Prairie is a semi-blind, structurally controlled resource in an area with indicators of magmatic heat. New geophysical data acquired at these sites includes reflection seismic, gravity and magnetic surveys, and a magnetotelluric field survey. New geochemical data collection focused on the Camas Prairie, and included the aqueous and isotope geochemistry of hot springs, cold springs, and wells (geothermal, groundwater, and irrigation). New field mapping, sampling, and basalt flow chronology was also conducted at Camas Prairie. Integrated results from Phase 1 and 2 studies suggest that the blind system near the Mountain Home Air Force Base is located at ~1.5– 2.3 km depth, and the structurally-controlled system at Camas Prairie is shallower, with upper reservoir depths perhaps only ~0.5–0.7 km.

15 GEOTHERMAL ENERGY↗
DOE OSTI2020

Second Annual Progress Report on Correlation Between Microstructure and Mechanical Properties of Neutron-Irradiated Ferritic-Martensitic and Austenitic Steels

Ferritic-martensitic steels G92-2b (an optimized Grade 92 heat), NF616 and T91, and austenitic stainless steel 800H and its Grain Boundary Engineering (GBE)-treated version 800H-TMP (ThermoMechanical Processing) were irradiated in the High Flux Isotope Reactor (HFIR) of Oak Ridge National Laboratory (ORNL) and the Advanced Test Reactor (ATR) of Idaho National Laboratory (INL). Selected G92-2b samples were irradiated up to 14.66 dpa in the HFIR at two temperature ranges: 400–496.7°C and 683.3– 720°C. NF616 and T91 were irradiated in the ATR up to 8.16 dpa with the irradiation temperatures ranged from 241°C to 447.5°C. Alloy 800H and 800H-TMP samples were irradiated in both the HFIR and the ATR. Selected 800H and 800H-TMP samples had HFIR irradiation to 1.28 dpa at 580°C and ATR irradiation up to 9.12 dpa at 359°C to 431°C. Vickers hardness measurements, fractography, and microstructural characterization were performed on the selected samples in the Low Activation Materials Design and Analysis (LAMDA) laboratory. Radiation-hardening of G92-2b was observed at the lower doses and lower irradiation temperatures (400- 496.7°C), with GB03 (0.52 dpa at 400°C) and GB04 (7.44 dpa at ~490°C) showing ~12% and ~8% hardening, respectively. Softening by ~14% was observed for GB05 (14.66 dpa at 496.7°C). Radiationsoftening of G92-2b was more prevalent at the higher irradiation temperatures (683.3-~720°C), with GB10 (0.46 dpa at 683.3°C), GB11 (7.44 dpa at ~720°C), and GB12 (14.63 dpa at ~720°C) showing ~8%, ~8%, and ~40% softening, respectively. Radiation-hardening of NF616 and T91 was observed with the hardness increased by ~37% to ~65% depending on the irradiation doses and irradiation temperatures. Within the studied irradiation conditions of NF616 and T91, samples with a higher dose had a larger hardness after irradiation. All the tested alloy 800H and 800H-TMP samples in this work showed radiation-hardening by ~96±7% to ~152±10%. Alloy 800H-TMP tended to have slightly smaller radiation-hardening than alloy 800H. The fractography results of G92-2b sample GB03, GB10, and GB11, together with the previously characterized fractography of GB04, GB05, and GB12, indicated that the ductility of G92-2b was maintained up to 14.66 dpa at the lower irradiation temperatures of 400-496.7°C, while some loss of ductility (less necking) was observed for higher doses at the higher irradiation temperatures of 683.3-720°C. This agrees with the previously reported tensile test results of G92-2b, where the elongation of G92-2b was reduced at higher doses at the higher irradiation temperatures. Dimple sizes increased at higher doses, which are more evident at the higher irradiation temperatures of 683.3-~720°C. The fractography of NF616 sample D2 (2.96 dpa at 291.5°C), D4 (5.91 dpa at 359°C), and D6 (8.16 dpa at 431°C) indicated loss of ductility with negligible necking for sample D2, while ductile failure for samples D4 and D6. Fractography of alloy 800H and 800H-TMP samples in various irradiation conditions showed ductile failure with obvious necking. Dimples were observed, with some of them containing large Ti-rich particles, in all the 800H/800H-TMP samples. Electron backscatter diffraction characterization of GB12 indicated the recovery of the lath structure, which was generally replaced by an equiaxed grain structure. Transmission electron microscopy (TEM) characterization showed the presence of frequent M 23 C 6 (M = primarily Cr), MX (M = primarily V), spherical Nb(C,N) precipitates, and occasional Laves phase precipitates in the G92-2b samples. MX precipitates with sizes of 20-30 nm were observed at boundaries of smaller grains, indicating the pinning effect of the V-rich precipitates. The lath structure recovery was more evident at the higher irradiation temperatures (683.3-~720°C), with decreased densities of line dislocations and M23C6 precipitates. The irradiated T91 (TA04) showed the growth of M23C6 precipitates to 101 ± 40 nm from the initial 68 ± 22 nm in the unirradiated condition. Dislocation loops of both {100} and {111} types were present in TA04. TEM characterization was also performed on the irradiated 800H (N4, N5, N6, and AR2) and 800H-TMP (P4, P5, P6, and HG1). Accumulation of M 23 C 6 precipitates at grain boundaries was observed in all the xii 800H/800H-TMP samples, and the presence of Ti(C,N) precipitates at grain boundaries and in the matrix was observed in the irradiated 800H-TMP. Some Ti(C,N) precipitates are embedded in the M 23 C 6 precipitates, maintaining specific orientation relationships between the precipitates and between the precipitate and matrix. In addition, nanoscale Si-rich clusters were observed in the matrix of all the 800H/800H-TMP samples, with EDS Si maps tending to have a lower contrast in 800H-TMP samples. Atom probe tomography was conducted on the same samples, supported by a Rapid Turnaround Examination project under Nuclear Science User Facilities. The results are being analyzed to be integrated with the TEM results for a confident description of the γ’ precipitates. Dislocation loops also formed in all the 800H/800H-TMP samples. The density and the average size of dislocation loops were quantified to be in the order of 10 22 – 10 23 m -3 and 11.7 – 15.9 nm, respectively, in the ATR-irradiated 800H/800H-TMP samples. The loop densities in irradiated 800H were higher than that in irradiated 800H-TMP under the same irradiation conditions. Further systematic data analyses, together with some complementary experiments, will be pursued for these samples to foster peer-reviewed journal article publications.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Demonstration of Complete Recycling Processes of Reversible Epoxies Using Solar Energy Conversion

Reversible epoxies using the Diels–Alder chemistry enables recycling processes through depolymerizing the polymer at higher temperature and then repolymerizing upon cooling. Compared to conventional bulk heating, photothermal heating can save time and resource and, consequently, reduce costs to reach an elevated temperature for recycling processes of the reversible epoxies. In previous studies, self‐healing of cracks and reattachments of two broken pieces have been presented using a laser; however, recycling of a sample as a whole is not feasible by using such a point light source. Herein, complete recycling processes are demonstrated utilizing an area light source, i.e., sunlight. Reversible epoxies are incorporated with carbon black and refractory plasmonic titanium nitride nanoparticles (NPs). Under concentrated (10 times) sunlight, they can generate sufficient heat (≈140 °C) to completely liquefy, reprocess, and reshape the samples multiple times. Recycling processes are validated by evaluation of mechanical properties for each cycle. Using an integrated experimental and theoretical approach, photothermal performance is investigated in terms of the dispersion and loading of photothermal NPs in the matrix, as well as the sample thickness. In this study, an insight is provided into the design of polymer/photothermal nanomaterial composites which can be sustainably recycled using abundant solar energy.

14 SOLAR ENERGY↗
DOE OSTI2025

A platform to measure isentropes from proton-heated warm dense matter on short pulse laser facilities

We describe the development of an experimental platform that measures the release isentrope of materials heated isochorically to temperatures of a few electron volts, using short-pulse laser-produced protons to heat the sample and long-pulse laser-produced x rays to perform streaked x-ray radiography. The density profiles derived from the radiography data are integrated to generate pressure–density isentropes, independent of prior knowledge of the equation of state of the sample material. In order to understand the sensitivities of isentrope extraction from radiography data, we analyze synthetic radiographs generated by a radiation hydrodynamics code. Noise reduction and high spatial resolution are critical for isentrope reconstruction, as demonstrated by the analysis of a proof-of-principle shot day on the OMEGA-EP facility. In conclusion, the data demonstrate the feasibility of the platform for characterizing isentropes, and we discuss the necessary improvements to enhance precision in differentiating between equation-of-state models.

Equations of state↗
DOE OSTI2025

Fast HARDI Uncertainty Quantification and Visualization with Spherical Sampling

In this paper, we study uncertainty quantification and visualization of orientation distribution functions (ODF), which corresponds to the diffusion profile of high angular resolution diffusion imaging (HARDI) data. The shape inclusion probability (SIP) function is the state‐of‐the‐art method for capturing the uncertainty of ODF ensembles. The current method of computing the SIP function with a volumetric basis exhibits high computational and memory costs, which can be a bottleneck to integrating uncertainty into HARDI visualization techniques and tools. We propose a novel spherical sampling framework for faster computation of the SIP function with lower memory usage and increased accuracy. In particular, we propose direct extraction of SIP isosurfaces, which represent confidence intervals indicating spatial uncertainty of HARDI glyphs, by performing spherical sampling of ODFs. Our spherical sampling approach requires much less sampling than the state‐of‐the‐art volume sampling method, thus providing significantly enhanced performance, scalability, and the ability to perform implicit ray tracing. Our experiments demonstrate that the SIP isosurfaces extracted with our spherical sampling approach can achieve up to 8164× speedup, 37282× memory reduction, and 50.2% less SIP isosurface error compared to the classical volume sampling approach. We demonstrate the efficacy of our methods through experiments on synthetic and human‐brain HARDI datasets.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1997

Thermal Characterization of Defects in Aircraft Structures Via Spatially Controlled Heat Application

Recent advances in thermal imaging technology have spawned a number of new thermal NDE techniques that provide quantitative information about flaws in aircraft structures. Thermography has a number of advantages as an inspection technique. It is a totally noncontacting, nondestructive, imaging technology capable of inspecting a large area in a matter of a few seconds. The development of fast, inexpensive image processors have aided in the attractiveness of thermography as an NDE technique. These image processors have increased the signal to noise ratio of thermography and facilitated significant advances in post-processing. The resulting digital images enable archival records for comparison with later inspections thus providing a means of monitoring the evolution of damage in a particular structure. The National Aeronautics and Space Administration's Langley Research Center has developed a thermal NDE technique designed to image a number of potential flaws in aircraft structures. The technique involves injecting a small, spatially controlled heat flux into the outer surface of an aircraft. Images of fatigue cracking, bond integrity and material loss due to corrosion are generated from measurements of the induced surface temperature variations. This paper will present a discussion of the development of the thermal imaging system as well as the techniques used to analyze the resulting thermal images. Spatial tailoring of the heat coupled with the analysis techniques represent a significant improvement in the delectability of flaws over conventional thermal imaging. Results of laboratory experiments on fabricated crack, disbond and material loss samples will be presented to demonstrate the capabilities of the technique. An integral part of the development of this technology is the use of analytic and computational modeling. The experimental results will be compared with these models to demonstrate the utility of such an approach.

Cramer, K. Elliott↗
NASA NTRS2012

Simultaneous Planck, Swift, and Fermi Observations of X-ray and Gamma-ray Selected Blazars

We present simultaneous Planck, Swift, Fermi, and ground-based data for 105 blazars belonging to three samples with flux limits in the soft X-ray, hard X-ray, and gamma-ray bands, with additional 5 GHz flux-density limits to ensure a good probability of a Planck detection. We compare our results to those of a companion paper presenting simultaneous Planck and multi-frequency observations of 104 radio-loud northern active galactic nuclei selected at radio frequencies. While we confirm several previous results, our unique data set allows us to demonstrate that the selection method strongly influences the results, producing biases that cannot be ignored. Almost all the BL Lac objects have been detected by the Fermi Large Area Telescope (LAT), whereas 30% to 40% of the flat-spectrum radio quasars (FSRQs) in the radio, soft X-ray, and hard X-ray selected samples are still below the gamma-ray detection limit even after integrating 27 months of Fermi-LAT data. The radio to sub-millimetre spectral slope of blazars is quite flat, with (alpha) approx 0 up to about 70GHz, above which it steepens to (alpha) approx -0.65. The BL Lacs have significantly flatter spectra than FSRQs at higher frequencies. The distribution of the rest-frame synchrotron peak frequency (nu(sup s)(sub peak)) in the spectral energy distribution (SED) of FSRQs is the same in all the blazar samples with (nu(sup s)(sub peak)) = 10(exp 13.1 +/- 0.1) Hz, while the mean inverse Compton peak frequency, (nu(sup IC)(sub peak)), ranges from 10(exp 21) to 10(exp 22) Hz. The distributions of nu(sup s)(sub peak) and nu(sup IC)(sub peak) of BL Lacs are much broader and are shifted to higher energies than those of FSRQs; their shapes strongly depend on the selection method. The Compton dominance of blazars. defined as the ratio of the inverse Compton to synchrotron peak luminosities, ranges from less than 0.2 to nearly 100, with only FSRQs reaching values larger than about 3. Its distribution is broad and depends strongly on the selection method, with gamma-ray selected blazars peaking at approx 7 or more, and radio-selected blazars at values close to 1, thus implying that the common assumption that the blazar power budget is largely dominated by high-energy emission is a selection effect. A comparison of our multi-frequency data with theoretical predictions shows that simple homogeneous SSC models cannot explain the simultaneous SEDs of most of the gamma-ray detected blazars in all samples. The SED of the blazars that were not detected by Fermi~LAT may instead be consistent with SSC emission. Our data challenge the correlation between bolometric luminosity and nu(sup s)(sub peak) predicted by the blazar sequence.

Giommi, P.↗
DOE OSTI2017

Measurement of the prompt J /$\psi$ pair production cross-section in pp collisions at $\sqrt{s} = 8$ TeV with the ATLAS detector

The production of two prompt J/ψ mesons, each with transverse momenta p T > 8.5 GeV and rapidity |y| < 2.1, is studied using a sample of proton-proton collisions at $\sqrt{s} = 8$ TeV, corresponding to an integrated luminosity of 11.4 fb –1 collected in 2012 with the ATLAS detector at the LHC. The differential cross-section, assuming unpolarised J/ψ production, is measured as a function of the transverse momentum of the lower-p T J/ψ meson, di-J/ψp T and mass, the difference in rapidity between the two J/ψ mesons, and the azimuthal angle between the two J/ψ mesons. The fraction of prompt pair events due to double parton scattering is determined by studying kinematic correlations between the two J/ψ mesons. The total and double parton scattering cross-sections are compared with predictions. The effective cross-section of double parton scattering is measured to be σ eff = 6.3 ± 1.6(stat)±1.0(syst) mb.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Enhanced Monte Carlo Simulations for Electron Energy Loss Mitigation in Real-Space Nanoimaging of Thick Biological Samples and Microchips

High-resolution imaging using Transmission Electron Microscopy (TEM) is essential for applications such as grain boundary analysis, microchip defect characterization, and biological imaging. However, TEM images are often compromised by electron energy spread and other factors. In TEM mode, where the objective and projector lenses are positioned downstream of the sample, electron–sample interactions cause energy loss, which adversely impacts image quality and resolution. This study introduces a simulation tool to estimate the electron energy loss spectrum (EELS) as a function of sample thickness, covering electron beam energies from 300 keV to 3 MeV. Leveraging recent advances in MeV-TEM/STEM technology, which includes a state-of-the-art electron source with 2-picometer emittance, an energy spread of 3 × 10 -5 , and optimized beam characteristics, we aim to minimize energy spread. By integrating EELS capabilities into the BNL Monte Carlo (MC) simulation code for thicker samples, we evaluate electron beam parameters to mitigate energy spread resulting from electron–sample interactions. Based on our simulations, we propose an experimental procedure for quantitively distinguishing between elastic and inelastic scattering. The findings will guide the selection of optimal beam settings, thereby enhancing resolution for nanoimaging of thick biological samples and microchips.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Predicting Biological Cleanliness: An Empirical Bayes Approach for Spacecraft Bioburden Accounting

To comply with the international planetary protection policy set forth by the Committee on Space Research and NASA Agency level requirements, spacecraft destined to biologically sensitive planetary bodies have to minimize terrestrial biological contamination. Analysis, testing and inspection are the standard forward verification activities that are used to demonstrate compliance with the biological contamination requirements. For testing of spacecraft surface areas, a swab or wipe sample is collected from surfaces prior to last access and subsequently processed in the lab using NASA Approved Planetary Protection Methods for Culture Based Assays. Raw data resulting from this assay is then statistically treated employing a mathematical paradigm stemming from the 1970’s Viking Lander Project to generate the bioburden density and total microbial bioburden present. This standard approach arbitrarily accounts for error and provides an upper conservative bound as it reports the maximum number of spores estimated to be present on flight hardware surfaces. A bioburden density estimate factors in the following variables: the observed bioburden count, representative volume processed, sampling efficiencies. Notably, to account for error in the approach, a 0 observed count is arbitrarily changed to a count of 1 for each hardware grouping. The data generated by spacecraft bioburden verification campaigns in the past have resulted in <80% of wipes and <90% of swabs containing a bioburden count of 0. As such, having a robust and well documented statistical approach for dealing with the probability of low incident rates is necessary to be able to estimate spacecraft bioburden. Being able to statistically describe the bioburden distribution and associated confidence level is a gamechanger for the development of bioburden allocations during mission design and will allow for tighter management of risk throughout spacecraft build. Thus, Empirical Bayes statistical approach was evaluated to estimate the microbial bioburden on spacecraft to mitigate the aforementioned mathematical concerns and provide a probabilistic bioburden distribution of the flight hardware surface. For application of this approach to performing bioburden calculations, a range of non-informative prior assumptions on hardware surfaces are explored for Bayesian analyses while informative priors using posterior distributions from prior assays are utilized for Empirical Bayes analyses. Several non-informative priors are currently under investigation to assess fitness including use of these priors to serve as a foundation to build off of NASA specification values or a basis of risk to account for unknowns during the integration and testing process. Informative priors under consideration are generated using sampled bioburden values from hardware originating within like processing environments (e.g. vendor cleaning process or similar assembly process), temporal spacecraft status events as a prediction for hardware cleanliness of future samples, and heritage system bioburden actuals to predict allocation for subsequent missions. Informative priors and probabilistic bioburden distributions are then validated using data sets from the Mars Exploration Rover, Mars Science Laboratory, and InSight missions. Using Empirical Bayes approach to generate a probabilistic bioburden distribution as demonstrated through mission use cases provides a valid approach for use in the end-to-end requirements verification process.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Bayesian Framework for Bioburden Density Estimation in Planetary Protection

To comply with the international planetary protection policy set forth by the Committee on Space Research and NASA Agency level requirements, spacecraft destined to biologically sensitive planetary bodies have to minimize terrestrial biological contamination. Analysis, testing and inspection are the standard forward verification activities that are used to demonstrate compliance with the biological contamination requirements. For testing of spacecraft surface areas, a swab or wipe sample is collected from surfaces prior to last access and subsequently processed in the lab using NASA Approved Planetary Protection Methods for Culture Based Assays. Raw data resulting from this assay is then statistically treated employing a mathematical paradigm stemming from the 1970’s Viking Lander Project to generate the bioburden density and total microbial bioburden present. This standard approach arbitrarily accounts for error and provides an upper conservative bound as it reports the maximum number of spores estimated to be present on flight hardware surfaces. A bioburden density estimate factors in the following variables: the observed bioburden count, representative volume processed, sampling efficiencies. Notably, to account for error in the approach, a 0 observed count is arbitrarily changed to a count of 1 for each hardware grouping. The data generated by spacecraft bioburden verification campaigns in the past have resulted in <80% of wipes and <90% of swabs containing a bioburden count of 0. As such, having a robust and well documented statistical approach for dealing with the probability of low incident rates is necessary to be able to estimate spacecraft bioburden. Being able to statistically describe the bioburden distribution and associated confidence level is a gamechanger for the development of bioburden allocations during mission design and will allow for tighter management of risk throughout spacecraft build. Thus, Empirical Bayes statistical approach was evaluated to estimate the microbial bioburden on spacecraft to mitigate the aforementioned mathematical concerns and provide a probabilistic bioburden distribution of the flight hardware surface. For application of this approach to performing bioburden calculations, a range of non-informative prior assumptions on hardware surfaces are explored for Bayesian analyses while informative priors using posterior distributions from prior assays are utilized for Empirical Bayes analyses. Several non-informative priors are currently under investigation to assess fitness including use of these priors to serve as a foundation to build off of NASA specification values or a basis of risk to account for unknowns during the integration and testing process. Informative priors under consideration are generated using sampled bioburden values from hardware originating within like processing environments (e.g. vendor cleaning process or similar assembly process), temporal spacecraft status events as a prediction for hardware cleanliness of future samples, and heritage system bioburden actuals to predict allocation for subsequent missions. Informative priors and probabilistic bioburden distributions are then validated using data sets from the Mars Exploration Rover, Mars Science Laboratory, and InSight missions. Using Empirical Bayes approach to generate a probabilistic bioburden distribution as demonstrated through mission use cases provides a valid approach for use in the end-to-end requirements verification process.

97 - MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Fiber-Coupled Substrate-Integrated Hollow Waveguides: An Innovative Approach to Mid-infrared Remote Gas Sensors

Here, in this study, an innovative approach based on fiberoptically coupled substrate-integrated hollow waveguide (iHWG) gas cells for the analysis of low sample volumes suitable for remote broad- and narrow-band mid-infrared (MIR; 2.5–20 μm) sensing applications is reported. The feasibility of remotely addressing iHWG gas cells, configured in a double-pass geometry via a reflector, by direct coupling to a 7-around-1 mid-infrared fiber bundle is demonstrated, facilitating low-level hydrocarbon gas analysis. For comparison studies, two iHWGs with substrate dimensions of 50 × 50 × 12 mm (L × W × H) and geometric channel lengths of 138 and 58.5 mm, serving as miniature light-guiding gas cells, were fiber-coupled to a Fourier transform infrared spectrometer enabling broadband MIR sensing. In addition to the fundamental feasibility of this concept, the achievable sensitivity toward several gaseous hydrocarbons and the reproducibility of assembling the fiber-iHWG interface were investigated.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Autonomous elemental characterization enabled by a low cost robotic platform built upon a generalized software architecture

Despite the rapidly growing applications of robots in industry, the use of robots to automate tasks in scientific laboratories is less prolific due to the lack of generalized methodologies and the high cost of hardware. This paper focuses on the automation of characterization tasks necessary for reducing cost while maintaining generalization and proposes a software architecture for building robotic systems in scientific laboratory environments. A dual-layer (Socket.IO and ROS) action server design is the basic building block, which facilitates the implementation of a web-based front end for user-friendly operation and the use of ROS Behavior Trees for convenient task planning and execution. A robotic platform for automating mineral and material sample characterization is built upon the architecture, with an open-source, low-cost three-axis computer numerical control gantry system serving as the main robot. A handheld laser induced breakdown spectroscopy (LIBS) analyzer is integrated with a 3D printed adapter, enabling (1) automated 2D chemical mapping and (2) autonomous sample measurement (with the support of an RGB-Depth camera). We demonstrate the utility of automated chemical mapping by scanning the surface of a spodumene-bearing pegmatite core sample with a 1071-point dense hyperspectral map acquired at a rate of 1520 bits per second. Furthermore, we showcase the autonomy of the platform in terms of perception, dynamic decision-making, and execution, through a case study of LIBS measurement of multiple mineral samples. The platform enables controlled and autonomous chemical quantification in the laboratory that complements field-based measurements acquired with the same handheld device, linking resource exploration and processing steps in the supply chain for lithium-based battery materials.

Cao, Xuan [Lawrence Berkeley National Laboratory (↗
NASA NTRS2021

Integrating Inland and Coastal Water Quality Data for Actionable Knowledge

Water quality measures for inland and coastal waters are available as discrete samples from professional and volunteer water quality monitoring programs and higher-frequency, near-continuous data from automated in situ sensors. Water quality parameters also are estimated from model outputs and remote sensing. The integration of these data, via data assimilation, can result in a more holistic characterization of these highly dynamic ecosystems, and consequently improve water resource management. It is becoming common to see combinations of these data applied to answer relevant scientific questions. Yet, methods for scaling water quality data across regions and beyond, to provide actionable knowledge for stakeholders, have emerged only recently, particularly with the availability of satellite data now providing global coverage at high spatial resolution. In this paper, data sources and existing data integration frameworks are reviewed to give an overview of the present status and identify the gaps in existing frameworks. We propose an integration framework to provide information to user communities through the the Group on Earth Observations (GEO) AquaWatch Initiative. This aims to develop and build the global capacity and utility of water quality data, products, and information to support equitable and inclusive access for water resource management, policy and decision making.

Ghada Y.H. El Serafy↗
NASA NTRS2019

Optical Studies of Low Reflectance Materials at Solar Reflective Wavelengths in Support of Remote Sensing Instrument Development and Calibration

We report the Bidirectional Reflection Distribution Function (BRDF) and Total Hemispheric Reflectance (THR) results of several low reflectance materials using a Table-top Goniometer (TTG) and a commercial UV-VIS-NIR spectrophotometer in support of the NASA GSFC PACE project. The newly developed TTG was utilized to perform the BRDF measurements for several black candidate samples in in-plane and out-of-plane configurations from 300 nm to 2000 nm. These measurements demonstrated the BRDF capability of the TTG to calibrate the dim calibration target with a reflectance of approximately 2 % for the OCI of the PACE project. The spectral THR of the black samples from 200 nm to 2500 nm was determined using a 10 % reflectance diffuse black standard and a monochromator-based light source equipped with a 150 mm diameter integrating sphere. The THR measurement is used to compliment and validate the BRDF measurements acquired from these samples. In this presentation, we also show examples of UV induced BRDF and THR changes on two black coatings. We will discuss validation of the BRDF scale, source stability, measurement repeatability, instrument signature, and uncertainty components.

Bidirectional Reflection Distribution Function (BR↗