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DOE OSTI2023

Solvent-Producing Clostridia Revisited

The review provides an overview of the current status of the solvent-producing clostridia. The origin and development of industrial clostridial species, as well as the history of the industrial Acetone Butanol Ethanol fermentation process, is reexamined, and the recent resurgence of interest in the production of biobutanol is reviewed. Over 300 fully sequenced genomes for solvent-producing and closely related clostridial species are currently available in public databases. These include 270 genomes sourced from the David Jones culture collection. These genomes were allocated arbitrary DJ codes, and a conversion table to identify the species and strains has now been provided. The expanded genomic database facilitated new comparative genomic and phylogenetic analysis. A synopsis of the common features, molecular taxonomy, and phylogeny of solvent-producing clostridia and the application of comparative phylogenomics are evaluated. A survey and analysis of resident prophages in solvent-producing clostridia are discussed, and the discovery, occurrence, and role of novel R-type tailocins are reported. Prophage genomes with R-type tailocin-like features were detected in all 12 species investigated. The widespread occurrence of tailocins in Gram-negative species is well documented; this survey has indicated that they may also be widespread in clostridia.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1990

Electronic Neural Networks

Viewgraphs on electronic neural networks for space station are presented. Topics covered include: electronic neural networks; electronic implementations; VLSI/thin film hybrid hardware for neurocomputing; computations with analog parallel processing; features of neuroprocessors; applications of neuroprocessors; neural network hardware for terrain trafficability determination; a dedicated processor for path planning; neural network system interface; neural network for robotic control; error backpropagation algorithm for learning; resource allocation matrix; global optimization neuroprocessor; and electrically programmable read only thin-film synaptic array.

Thakoor, Anil↗

DOE OSTI2022

Dynamic logistic regression and variable selection: Forecasting and contextualizing civil unrest

Civil unrest can range from peaceful protest to violent furor, and researchers are working to monitor, forecast, and assess such events to allocate resources better. Twitter has become a real-time data source for forecasting civil unrest because millions of people use the platform as a social outlet. Additionally, daily word counts are used as model features, and predictive terms contextualize the reasons for the protest. To forecast civil unrest and infer the reasons for the protest, we consider the problem of Bayesian variable selection for the dynamic logistic regression model and propose using penalized credible regions to select parameters of the updated state vector. This method avoids the need for shrinkage priors, is scalable to high-dimensional dynamic data, and allows the importance of variables to vary in time as new information becomes available. A substantial improvement in both precision and F1-score using this approach is demonstrated through simulation. Finally, we apply the proposed model fitting and variable selection methodology to the problem of forecasting civil unrest in Latin America. Our dynamic logistic regression approach shows improved accuracy compared to the static approach currently used in event prediction and feature selection.

97 MATHEMATICS AND COMPUTING↗

NASA NTRSDate not supplied

Overview of Crew Operations for Transit to Mars

Crewed Mars missions are estimated to be 700-1,200 days in length which is two to three times longer than any continuous human spaceflight mission to date. When architecting a Mars mission there are numerous resources that must be considered, evaluated, and planned for, including—but not limited to—mass, cost, performance, and risk. Crew time is a limited resource that will need to be appropriately allocated during future Mars missions. NASA’s “Moon to Mars Objectives” specifically recognizes as Recurring Tenets the need to return crews safely to Earth while mitigating adverse impacts to crew health and maximizing crew time available for science and engineering activities within planned mission durations. Crew operations and the crew time allocation for a Mars missions will likely be different than current operational planning aboard the ISS due to communication delays, crew health and performance needs, transportation system needs, potential vehicle dormancy, and mass ejection. Crew will need to operate much more Earth independently and potentially be responsible for more operations since traditional Earth ground support will be delayed. Incidents requiring immediate crew action will therefore either be the responsibility of the crew or an automated feature of the transit vehicle. This paper discusses the operational challenges of a Mars transit mission and the associated activities that will need to take place during each operational phase of transit to and from Mars.

Crew Time↗

NASA NTRSDate not supplied

Overview of Crew Operations for Transit to Mars

Crew Time↗

NASA NTRS1991

Sharing intelligence: Decision-making interactions between users and software in MAESTRO

By combining the best of automated and human decision-making in scheduling many advantages can accrue. The joint performance of the user and system is potentially much better than either alone. Features of the MAESTRO scheduling system serve to illustrate concepts of user/software cooperation. MAESTRO may be operated at a user-determinable and dynamic level of autonomy. Because the system allows so much flexibility in the allocation of decision-making responsibilities, and provides users with a wealth of information and other support for their own decision-making, better overall schedules may result.

Geoffroy, Amy L.↗

NASA NTRS2020

Robotic Specialization in Autonomous Robotic Structural Assembly

Robotic in-space assembly of large space structures is a long-term NASA goal to reduce launch costs and enable larger scale missions. Recently, researchers have proposed using discrete lattice building blocks and co-designed robots to build high-performance, scalable primary structure for various on-orbit and surface applications. These robots would locomote on the lattice and work in teams to build and reconfigure building-blocks into functional structure. However, the most reliable and efficient robotic system architecture, characterized by the number of different robotic 'species' and the allocation of functionality between species, is an open question. To address this problem, we decompose the robotic building-block assembly task into functional primitives and, in simulation, study the performance of the the variety of possible resulting architectures. For a set consisting of five process types (move self, move block, move friend, align bock, fasten block), we describe a method of feature space exploration and ranking based on energy and reliability cost functions. The solution space is enumerated, filtered for unique solutions, and evaluated against energy and reliability cost functions for various simulated build sizes. We find that a 2 species system, dividing the five mentioned process types between one unit cell transport robot and one fastening robot, results in the lowest energy cost system, at some cost to reliability. This system enables fastening functionality to occupy the build front while reducing the need for that functional mass to travel back and forth from a feed station. Because the details of a robot design affect the weighting and final allocation of functionality, a sensitivity analysis was conducted to evaluate the effect of changing mass allocations on architecture performance. Future systems with additional functionalities such as repair, inspection, and others may use this process to analyze and determine alternative robot architectures.

Bernus, Borbala↗

DOE OSTI2024

Multilevel Monte Carlo Estimators For Derivative-Free Optimization Under Uncertainty

Optimization is a key tool for scientific and engineering applications; however, in the presence of models affected by uncertainty, the optimization formulation needs to be extended to consider statistics of the quantity of interest. Optimization under uncertainty (OUU) deals with this endeavor and requires uncertainty quantification analyses at several design locations; i.e., its overall computational cost is proportional to the cost of performing a forward uncertainty analysis at each design location. An OUU workflow has two main components: an inner loop strategy for the computation of statistics of the quantity of interest, and an outer loop optimization strategy tasked with finding the optimal design, given a merit function based on the inner loop statistics. Here, in this work, we propose to alleviate the cost of the inner loop uncertainty analysis by leveraging the so-called multilevel Monte Carlo (MLMC) method, which is able to allocate resources over multiple models with varying accuracy and cost. The resource allocation problem in MLMC is formulated by minimizing the computational cost given a target variance for the estimator. We consider MLMC estimators for statistics usually employed in OUU workflows and solve the corresponding allocation problem. For the outer loop, we consider a derivative-free optimization strategy implemented in the SNOWPAC library; our novel strategy is implemented and released in the Dakota software toolkit. We discuss several numerical test cases to showcase the features and performance of our approach with respect to its Monte Carlo single fidelity counterpart.

97 MATHEMATICS AND COMPUTING↗

NASA NTRSDate not supplied

Initial Characterization of Intermediate Bennu Particles to Evaluate Lithologic Diversity and Mineralogic and Redox Equilibria

The OSIRIS-REx spacecraft returned regolith from asteroid Bennu to Earth September 24, 2023 [1]. As part of initial science allocations and sample analysis plan [2], JSC science team members received aggregate material from within the TAGSAM head (OREX-803017-0) to characterize. Here we report the results of analyses that have been carried out to determine mineralogic composition, surface features, and overall lithologic diversity in Bennu particles. These initial observations will inform additional analyses that will address the nature of pre-biotic and pre-solar material, formation location of Bennu, geologic history of the asteroid, and its impact/collisional/re-accretion history [3].

Bennu↗

NASA NTRS2009

Flightspeed Integral Image Analysis Toolkit

The Flightspeed Integral Image Analysis Toolkit (FIIAT) is a C library that provides image analysis functions in a single, portable package. It provides basic low-level filtering, texture analysis, and subwindow descriptor for applications dealing with image interpretation and object recognition. Designed with spaceflight in mind, it addresses: Ease of integration (minimal external dependencies) Fast, real-time operation using integer arithmetic where possible (useful for platforms lacking a dedicated floatingpoint processor) Written entirely in C (easily modified) Mostly static memory allocation 8-bit image data The basic goal of the FIIAT library is to compute meaningful numerical descriptors for images or rectangular image regions. These n-vectors can then be used directly for novelty detection or pattern recognition, or as a feature space for higher-level pattern recognition tasks. The library provides routines for leveraging training data to derive descriptors that are most useful for a specific data set. Its runtime algorithms exploit a structure known as the "integral image." This is a caching method that permits fast summation of values within rectangular regions of an image. This integral frame facilitates a wide range of fast image-processing functions. This toolkit has applicability to a wide range of autonomous image analysis tasks in the space-flight domain, including novelty detection, object and scene classification, target detection for autonomous instrument placement, and science analysis of geomorphology. It makes real-time texture and pattern recognition possible for platforms with severe computational restraints. The software provides an order of magnitude speed increase over alternative software libraries currently in use by the research community. FIIAT can commercially support intelligent video cameras used in intelligent surveillance. It is also useful for object recognition by robots or other autonomous vehicles

Thompson, David R.↗

DOE OSTI2026

Deep Gaussian process-based cost-aware batch Bayesian optimization for complex materials design campaigns

The accelerating pace and expanding scope of materials discovery demand optimization frameworks that efficiently navigate vast design spaces with complex response surfaces while judiciously allocating limited evaluation resources. We present a cost-aware, batch Bayesian optimization scheme powered by deep Gaussian process (DGP) surrogates and a heterotopic querying strategy. Our DGP surrogate, formed by stacking GP layers, models complex hierarchical relationships among high-dimensional compositional features and captures correlations across multiple target properties, propagating uncertainty through successive layers. We integrate evaluation cost into an upper-confidence-bound acquisition extension, which, together with heterotopic querying, proposes small batches of candidates in parallel, balancing exploration of under-characterized regions with exploitation of high-mean, low-variance predictions across correlated properties. Applied to refractory high-entropy alloys for high-temperature applications, our framework converges to optimal formulations in fewer iterations with cost-aware queries than conventional GP-based BO, highlighting the value of deep, uncertainty-aware, cost-sensitive strategies in materials campaigns.

36 MATERIALS SCIENCE↗

NASA NTRS1993

The Automated Instrumentation and Monitoring System (AIMS) reference manual

Whether a researcher is designing the 'next parallel programming paradigm,' another 'scalable multiprocessor' or investigating resource allocation algorithms for multiprocessors, a facility that enables parallel program execution to be captured and displayed is invaluable. Careful analysis of execution traces can help computer designers and software architects to uncover system behavior and to take advantage of specific application characteristics and hardware features. A software tool kit that facilitates performance evaluation of parallel applications on multiprocessors is described. The Automated Instrumentation and Monitoring System (AIMS) has four major software components: a source code instrumentor which automatically inserts active event recorders into the program's source code before compilation; a run time performance-monitoring library, which collects performance data; a trace file animation and analysis tool kit which reconstructs program execution from the trace file; and a trace post-processor which compensate for data collection overhead. Besides being used as prototype for developing new techniques for instrumenting, monitoring, and visualizing parallel program execution, AIMS is also being incorporated into the run-time environments of various hardware test beds to evaluate their impact on user productivity. Currently, AIMS instrumentors accept FORTRAN and C parallel programs written for Intel's NX operating system on the iPSC family of multi computers. A run-time performance-monitoring library for the iPSC/860 is included in this release. We plan to release monitors for other platforms (such as PVM and TMC's CM-5) in the near future. Performance data collected can be graphically displayed on workstations (e.g. Sun Sparc and SGI) supporting X-Windows (in particular, Xl IR5, Motif 1.1.3).

Yan, Jerry↗

DOE OSTI2023

Distributive Nd-to-Yb Energy Transfer within Pure [YbNdYb] Heterometallic Molecules

Facile access to site-selective hetero-lanthanide molecules will open new avenues in the search of novel photophysical phenomena based on Ln-to-Ln' energy transfer (ET). This challenge demands strategies to segregate efficiently different Ln metal ions among different positions in a molecule. We report here the one-step synthesis and structure of a pure [YbNdYb] (1) coordination complex featuring short Yb···Nd distances, ideal to investigate a potential distributive (i.e., from one donor to two acceptors) intramolecular ET from one Nd 3+ ion to two Yb 3+ centers within a well-characterized molecule. The difference in ionic radius is the mechanism allowing to allocate selectively both types of metal ion within the molecular structure, exploited with the simultaneous use of two β-diketone-type ligands. To assist the photophysical investigation of this heterometallic species, the analogues [YbLaYb] (2) and [LuNdLu] (3) have also been prepared. Sensitization of Yb 3+ and Nd 3+ in the last two complexes, respectively, was observed, with remarkably long decay times, facilitating the determination of the Nd-to-Yb ET within the [YbNdYb] composite. This ET was demonstrated by comparing the emission of iso-absorbant solutions of 1, 2, and 3 and through lifetime determinations in solution and solid state. The comparatively high efficiency of this process corroborates the facilitating effect of having two acceptors for the nonradiative decay of Nd 3+ created within the [YbNdYb] molecule.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1995

A sustainable genetic algorithm for satellite resource allocation

A hybrid genetic algorithm is used to schedule tasks for 8 satellites, which can be modelled as a robot whose task is to retrieve objects from a two dimensional field. The objective is to find a schedule that maximizes the value of objects retrieved. Typical of the real-world tasks to which this corresponds is the scheduling of ground contacts for a communications satellite. An important feature of our application is that the amount of time available for running the scheduler is not necessarily known in advance. This requires that the scheduler produce reasonably good results after a short period but that it also continue to improve its results if allowed to run for a longer period. We satisfy this requirement by developing what we call a sustainable genetic algorithm.

Abbott, R. J.↗

NASA NTRS2016

Planetary Balloon-Based Science Platform Evaluation and Program Implementation

This report describes a study evaluating the potential for a balloon-based optical telescope as a planetary science asset to achieve decadal class science. The study considered potential science achievable and science traceability relative to the most recent planetary science decadal survey, potential platform features, and demonstration flights in the evaluation process. Science Potential and Benefits: This study confirms the cost the-benefit value for planetary science purposes. Forty-four (44) important questions of the decadal survey are at least partially addressable through balloon based capabilities. Planetary science through balloon observations can provide significant science through observations in the 300 nm to 5 m range and at longer wavelengths as well. Additionally, balloon missions have demonstrated the ability to progress from concept to observation to publication much faster than a space mission increasing the speed of science return. Planetary science from a balloon-borne platform is a relatively low-cost approach to new science measurements. This is particularly relevant within a cost-constrained planetary science budget. Repeated flights further reduce the cost of the per unit science data. Such flights offer observing time at a very competitive cost. Another advantage for planetary scientists is that a dedicated asset could provide significant new viewing opportunities not possible from the ground and allow unprecedented access to observations that cannot be realized with the time allocation pressures faced by current observing assets. In addition, flight systems that have a relatively short life cycle and where hardware is generally recovered, are excellent opportunities to train early career scientists, engineers, and project managers. The fact that balloon-borne payloads, unlike space missions, are generally recovered offers an excellent tool to test and mature instruments and other space craft systems. Desired Gondola Features: Potential gondola characteristics are assessed in this study and a concept is recommended, the Gondola for High-Altitude Planetary Science (GHAPS). This first generation platform is designed around a 1 m or larger aperture, narrow-field telescope with pointing accuracies better than one arc-second. A classical Cassegrain, or variant like Ritchey-Chretien, telescope is recommended for the primary telescope. The gondola should be designed for multiple flights so it must be robust and readily processed at recovery. It must be light-weighted to the extent possible to allow for long-duration flights on super-pressure balloons. Demonstration Flights: Recent demonstration flights achieved several significant accomplishments that can feed forward to a GHAPS gondola project. Science results included the first ever Earth-based measurements for CO2 in a comet, first measurements for CO2 and H2O in an Oort cloud comet, and the first measurement of 1 Ceres at 2.73 m to refine the shape of the infrared water absorption feature. The performance of the Fine Steering Mirror (FSM) was also demonstrated. The BOPPS platform can continue to be leveraged on future flights even as GHAPS is being developed. The study affirms the planetary decadal recommendations, and shows that a number of Top Priority science questions can be achieved. A combination GHAPS and BOPPS would provide the best value for PSD for realizing that science.

Dankanich, John W.↗

DOE OSTI2020

Nanometer-Scale Correlations in Aqueous Salt Solutions

The intermediate-range (1–4 nm) correlation of cations, an- ions, and water in aqueous alkaline earth salt solutions is measured using synchrotron X-ray diffraction. We differentiate from the entire solution structure factor, S(Q), a separate region at low Q (<1 °A-1) containing local diffraction maxima (pre-peaks) that indicate nanometer-scale oscillatory behavior. These features are quantitatively reproduced with classical molecular dynamics simulations. At high concentrations, the pre-peaks emerge from correlations arising from existence of small quasi close-packed lattice- like structures comprised of cation hydration spheres. We also analyze the concentration dependence of the pre-peak and discuss the overall results in light of the rich literature dealing with intermediate-range correlations underlying universal phenomena in concentrated electrolytes. The authors were supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences. Pacific Northwest National Laboratory (PNNL) is operated by Battelle for the U.S. Department of Energy under Contract No. DE-AC05-76RL01830. Computing resources were generously allocated by PNNL's Institutional Computing program. DOE Contract No. DEAC02- 06CH11357 supports operation of the Advanced Photon Source at Argonne National Laboratory.

Chemical physics, nucleation, Madelung potential↗

DOE OSTI2025

LandScan HD: a high-resolution gridded ambient population methodology for the world

Unwarned population distributions accounting for routine human activities are needed to address many global human security challenges, including disasters, conflict, and infrastructure demand. LandScan High Definition (LSHD) supports this need through gridded ambient population estimates that measure average human presence between daytime and nighttime at a high spatial resolution of 3 arcseconds (approximately 90 m). Although LSHD has traditionally been produced on a country-specific basis, advances in global foundational data and computational resources now enable scaling its methodology to the world. Combining aspects of top-down and bottom-up gridded population methods, LSHD allocates subnational population totals from authoritative statistics to built-up areas based on occupancy estimates for multiple facility types (e.g., residential, commercial) and then reaggregates these estimates to a global population grid. We scale this approach by organizing the LSHD data stack into a 1° resolution tileset of vector analytic features, enabling an efficient and repeatable workflow for all countries worldwide. Examining the Philippines as an output of the global LSHD baseline dataset, we contrast unwarned and residential (WorldPop) population distributions by (1) exploring a practical application of flood risk assessment and (2) evaluating their congruence with outcomes of collective human activities (subnational CO 2 emissions). Finally, we discuss plans to address current LSHD limitations through data/modeling and uncertainty quantification improvements and provide outlook for workflow automation and extending the model to social, demographic and economic population characteristics.

Building morphology↗

DOE OSTI2022

Marine phytoplankton resilience may moderate oligotrophic ecosystem responses and biogeochemical feedbacks to climate change

Are the oceans turning into deserts? Rising temperature, increasing surface stratification, and decreasing vertical inputs of nutrients are expected to cause an expansion of warm, nutrient deplete ecosystems. Such an expansion is predicted to negatively affect a trio of key ocean biogeochemical features: phytoplankton biomass, primary productivity, and carbon export. However, phytoplankton communities are complex adaptive systems with immense diversity that could render them at least partially resilient to global changes. This can be illustrated by the biology of the Prochlorococcus “collective.” Adaptations to counter stress, use of alternative nutrient sources, and frugal resource allocation can allow Prochlorococcus to buffer climate-driven changes in nutrient availability. In contrast, cell physiology is more sensitive to temperature changes. We argue that biogeochemical models need to consider the adaptive potential of diverse phytoplankton communities. However, a full understanding of phytoplankton resilience to future ocean changes is hampered by a lack of global biogeographic observations to test theories. We propose that the resilience may in fact be greater in oligotrophic waters than currently considered with implications for future predictions of phytoplankton biomass, primary productivity, and carbon export.

54 ENVIRONMENTAL SCIENCES↗