Search NASA⌕ Search

SEARCH · Search NASA

Results for “real and complex analysis”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 649 records · Page 36
All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

Biological Research and Space Health Enabled by Machine Learning to Support Deep Space Missions

A key science goal of the NASA “Moon to Mars” campaign is to understand how biology responds to the Lunar, Martian, and deep space environments in order to advance fundamental knowledge, reduce risk, and support safe, productive human space missions. Through the powerful emerging approaches of artificial intelligence (AI) and machine learning (ML), a paradigm shift has begun in biomedical science and engineered astronaut health systems, to enable Earth independence and autonomy of mission operations. Here we present an overview of AI/ML architecture to support deep space mission goals, developed with leaders in the field. First, we focus on the fundamental biological research that supports our understanding of physiological responses to spaceflight, and we describe current efforts to support AI/ML research including data standardization and data engineering through maximally open and FAIR (findable, accessible, interoperable, reusable) databases and the generation of AI-ready datasets for reuse and analysis. We also discuss remote data management frameworks for research data as well as environmental and health data that are generated during deep space missions. We highlight several research projects that leverage data standardization and management for fundamental biological discovery to uncover the complex effects of space travel on living systems. Next, we provide an overview of cutting-edge AI/ML approaches that can be integrated to support remote monitoring and analysis during deep space missions, including generative models and large language models to learn the underlying biomedical patterns and predict outcomes or answer questions during off world medical scenarios. We also describe current AI/ML methods to support this research and monitoring through automated cloud-based labs which enable limited human intervention and closed-loop experimentation in remote settings. These labs could support mission autonomy by analyzing environmental data streams, and would be facilitated through in situ analytics capabilities to avoid sending large raw data files through low bandwidth communications. Finally, in the context of deep space missions with limited communications or access to medical advice from Earth, we describe a solution for integrated, real-time mission biomonitoring across hierarchical levels from continuous environmental monitoring, to wearables and point-of-care devices, to molecular and physiological monitoring. We introduce a precision space health system that will ensure that the future of space health is predictive, preventative, participatory and personalized.

artificial intelligence↗
DOE OSTI2020

Machine-Learning Enabled Evaluation of Probability of Piping Degradation In Secondary Systems of Nuclear Power Plants

The transition to condition-based, risk-informed automated maintenance will contribute to a significant reduction of operations and maintenance costs that account for the majority of nuclear power generation costs. Furthermore, of the operations and maintenance costs in U.S. plants, approximately 80% are labor costs. To address the issue of rising operating costs and economic viability, technologies used to perform online monitoring of piping and other secondary system structural components in commercial nuclear power plants (NPPs) are under evaluation. These online monitoring systems have the potential to identify when a more detailed inspection is needed using real time measurements, rather than at a pre-determined inspection interval thus reducing the maintenance cost. This paper describes distributed high-temperature stable fiber sensors fabricated in optical fibers through a roll-to-roll laser direct writing process using femtosecond lasers. Using phase-sensitive optical time domain reflectometry, distributed acoustic and vibration sensors can be developed and deployed to critical components and systems in NPPs to perform active measurements with spatial resolution down to 0.5-meter throughout the piping systems. Complex acoustic and vibration signatures harnessed by distributed sensors are registered and analyzed by artificial intelligence algorithms for degradation detection and flaw identification. Piping elbows with machined-in flaws were instrumented with fiber sensors. High-spatial-resolution data were used to develop and validate machine learning algorithms, including both linear and nonlinear regression, and classification. Additionally, classification and sensor analysis were also performed for data analysis. The paper concludes with recommendations and future work on applications of machine learning enabled high-resolution fiber sensors for piping degradation monitoring in current or future NPPs.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRSDate not supplied

Holistic and Pragmatic Standards Processes Enable Interdisciplinary Science

Open, interdisciplinary science inevitably relies heavily on standards. Standards are those often unseen agreements that we take for granted when systems and processes are working fine. Yet standards work is perpetual, laborious, and sometimes contentious, especially for standards to work across diverse disciplines. Standards development, maintenance, and implementation is a complex, ongoing socio-technical process. NASA has developed a progressively open science policy and strategy that calls for the establishment of a data standards process reaching across the five diverse divisions of the Science Mission Directorate. This is a delicate exercise. We, therefore, seek to apply a holistic yet pragmatic approach to developing and maintaining a standards process. We adopt an ecological philosophy that focuses on the interactions within the data ecosystem and how standards facilitate those interactions. We couple high-level analysis with on the ground experimentation. We began by 1) mapping information ecosystem components (e.g. data centers, missions, services, protocols, users), 2)establishing how the components interact (e.g. sharing (meta)data, funding, personnel exchange), and 3) modelling system dynamics (e.g. creation of products from multiple data centers, redundant processes, shared services). The goal is to apply understanding of the ecosystem to real world applications (e.g. planning a new mission, implementing new policy requirements, improving process efficiency, etc.). We have also conducted studies of historical standardization efforts, documenting lessons learned and cautionary tales. We then contrast this more abstract work with real examples. We reviewed and assessed multiple existing standards development processes both within and external to NASA. We now work to implement an initial test process which can be further optimized. We seek to define a consistent approach for assigning persistent identifiers for research objects, especially for the purposes of citation. The experience from this relatively ‘simple’ test case adds a pragmatic perspective on how researchers and engineers actually work. This presentation will review the details of this methodology, our initial findings, and how they might apply to other interdisciplinary standardization efforts.

Mark A Parsons↗
NASA NTRS1994

Wavelets, period-doubling, and time-frequency localization with application to organization of convection over the tropical western Pacific

In this paper, preliminary results in using orthogonal and continuous wavelet transform (WT) to identify period doubling and time-frequency localization in both synthetic and real data are presented. First, the Haar WT is applied to synthetic time series derived from a simple nonlinear dynamical system- a first-order quadratic difference equation. Second, the complex Morlet WT is used to study the time-frequency localization of tropical convection based on a high-resolution Japanese Geostationary Meteorological Satellite infrared (IR) radiance dataset. The Haar WT of the synthetic time series indicates the presence and distinct separation of multiple frequencies in a period-doubling sequence. The period-doubling process generates a multiplicity of intermediate frequencies, which are manifested in the nonuniformity in time with respect to the phase of oscillations in the lower frequencies. Wavelet transform also enables the detection of extremely weak signals in high-order subharmonics resulting from the period-doubling bifurcations. These signals are either undetected or considered statistically insignificant by traditional Fourier analysis. The Morlet WT of the IR radiance dataset indicates the presence of multiple timescales, which are localized in both frequency and time. There are two regimes in the variation of IR radiance, corresponding to the wet and dry periods. Multiple timescales, ranging from semidiurnal, diurnal, synoptic, to intraseasonal with embedding structures, are active in the wet regime. In particular, synoptic variability is more prominent during the wet phase of an intensive intraseasonal cycle. These are not only consistent with, but also show more details than, previous findings by using other techniques. The phase-locking relationships among the oscillations with different time-scales suggest that both synoptic and intraseasonal variations may be mixed oscillations due to the interaction of self-excited oscillations in the tropical atmosphere and external forcings such as annual and diurnal solar radiation variations. Both examples show that WT is a powerful tool for analysis of phenomena involving multiscale interactions that exhibit localization in both frequency and time. A discussion on the caveats in the use of WT in geophysical data analysis is also presented.

Weng, Hengyi↗
NASA NTRS1999

Effects of Buoyancy in Hydrogen Jet Diffusion Flames

This project was carried out to understand the effects of heat release and buoyancy on the flame structure of diffusion flames. Experiments were conducted at atmospheric pressure in both normal gravity and microgravity conditions in the NASA LeRC 2.2 s drop tower. Experiments were also conducted in a variable pressure combustion facility in normal gravity to scale buoyancy and thus, to supplement the drop tower experiments. Pure H2 or H2 mixed with He was used as the jet fluid to avoid the complexities associated with soot formation. Fuel jet burning in quiescent air was visualized and quantified by the Rainbow Schlieren Deflectometry (RSD) to obtain scalar profiles (temperature, oxygen concentration) within the flame. Burner tube diameter (d) was varied from 0.3 to 1.19 mm producing jet exit Reynolds numbers ranging from 40 to 1900, and generating flames encompassing laminar and transitional (laminar to turbulent) flow structure. Some experiments were also complemented with the CFD analysis. In a previous paper, we have presented details of the RSD technique, comparison of computed and measured scalar distributions, and effects of buoyancy on laminar and transitional H2 gas-jet diffusion flames. Results obtained from the RSD technique, variable pressure combustion chamber, and theoretical models have been published. Subsequently, we have developed a new drop rig with improved optical and image acquisition. In this set up, the schlieren images are acquired in real time and stored digitally in RAM of an onboard computer. This paper deals with laminar diffusion flames of pure H2 in normal and microgravity.

Agrawal, A. K.↗
NASA NTRSDate not supplied

Utilization of Machine Learning Techniques for Managing the Tracking and Data Relay Satellite Constellation

National Aeronautics and Space Administration’s (NASA) Goddard Space Flight Center (GSFC) operates a constellation of ten geosynchronous Tracking and Data Relay Satellites (TDRS). The TDRS constellation consists of multiple geosynchronous communication relay satellites located around the equator so they can provide continual coverage of any mission in low earth orbit. The TDRS are located primarily in three oceanic regions around the earth. NASA’s White Sands Complex provides the ground communication support for TDRS located over the Atlantic and Pacific Oceans. Another TDRS ground station in Guam supports the TDRS over the Indian Ocean. With these satellites the TDRS network can provide continuous coverage of satellites in low-earth orbit. The NASA Space Network (SN) project office at GSFC manages the constellation of spacecraft. Major customers of the TDRS constellation include, but are not limited to, the International Space Station and the Hubble Space Telescope. The TDRS constellation has three generations of satellites and has been active for over 30 years providing reliable communication links between customer satellites and corresponding ground stations. However, one of the major concerns for TDRS, and in any space mission, is to ensure the health and safety of the spacecraft. Generally, engineers use telemetry data to monitor and analyze the performance and state of health of the spacecraft. Telemetry data contains hundreds of parameters that monitor each important component in the spacecraft, which can be utilized to recognize and characterize the behavior of the spacecraft. Each parameter contains considerable information to represent time-dependent properties of each spacecraft subsystem and component. During the entire life of a TDRS spacecraft, thousands of gigabytes of telemetry data are transmitted in real-time from the spacecraft to the ground station at the White Sands Complex in Las Cruces, New Mexico, and recorded as historical data sets for engineers to process and analyze the events that occurred on-orbit. These parameters contain the function of multiple spacecraft subsystems, such as the attitude control system (ACS), Thermal, Electrical Power Subsystem (EPS), etc. . The first and second generations have exceeded their required lifetime and NASA is keen to manage these spacecrafts carefully in order to maximize the remaining life using the spacecraft telemetry. The challenge is to know when the risk of losing a spacecraft in geosynchronous orbit exceeds the benefit of continued operations for customer support. In the TDRS fleet, the EPS is the most critical subsystem related to spacecraft operations. Failure of the EPS would strand a spacecraft in geosynchronous orbit. Since EPS provides power to the spacecraft, component failures ultimately lead to the inability to support the spacecraft loads and the communications payload. For instance, TDRS-8 has several anomalies in EPS including the Bus Voltage Limiter (BVL) shunt current, solar array loss of circuits, and failed battery cells. Any of these anomalies can cause critical issues to the spacecraft. Therefore, developing a system to analyze and perform early detection of a potential anomaly is an important issue in telemetry data analysis. In recent years, Telemetry Mining (TM) has been proposed to process telemetry data by using Data Mining (DM) techniques such as classification, clustering, regression and anomaly detection. Anomaly detection, also known as outlier detection, has been widely used in many data mining areas such as remote sensing, medical data processing and digital image processing. The goal of anomaly detection is to detect abnormal data, which contains a relatively low probability of occurrence among the entire data set. Early detection of anomalies is one of the most significant issues in managing the spacecraft configuration. If anomalies can be detected early enough, then the redundant resources can be used to extend the life of the operational spacecraft. We present an unsupervised anomaly detection method to process the EPS data extracted from TDRS-8. This is different from traditional analytical methods, which use telemetry data to illustrate behavior and physical meaning of each spacecraft component. TM connects multiple parameters as a vector and then conducts data analysis on this high dimension telemetry vector. This method is looking at the properties of a high dimensional vector that is able to consider the relationship between different parameters in the anomaly detection problem. This kind of method performs much better than the traditional limit checking method. In addition, we propose a new approach of real-time anomaly detection to process telemetry data in real-time, which can then be applied to spacecraft monitoring with high reliability, low cost and high accuracy.

Machine Learning (ML)↗
DOE OSTI2023

Multidimensional Diagnostics of the Interface Evolutions in Solid-State Lithium Batteries

All-solid-state lithium metal batteries hold tremendous potential as next-generation energy storage solutions. However, their performance is hindered by complex chemo-mechanical instabilities at the interface, which encompass electrolyte decomposition, loss of contact due to volume changes, and the growth of lithium filaments. Given the complexity of these failure mechanisms, it is imperative to employ multidimensional diagnostics that leverage a combination of tools capable of quantifying formed voids and filaments, identifying the chemical and mechanical properties of lithium dendrites and electrolyte decomposition products, as well as monitoring the evolution of these processes in situ. The primary objective of this project is to develop a comprehensive characterization platform for solid-state battery interfaces, integrating FIB-SEM tomography, ToF-SIMS, in-SEM nanoindentation, and in-SIMS AFM-based stiffness mapping to enable structural, chemical, and mechanical analyses. The project team has accomplished significant milestones, including: 1) The successful development of a characterization platform that combines FIB-SEM, ToF-SIMS, nanoindentation, and AFM. 2) The creation of solid-state cells at various scales. 3) Real-time visualization of the plating and stripping of lithium. 4) Operando analysis of the chemical composition and evolution of electrolyte decomposition products, encompassing intermediate and metastable species, at both the cathode and anode interfaces. 5) In situ analysis of mechanical properties coupled with chemical mapping. 6) The implementation of the multiscale characterization technique has yielded valuable insights into cell failure mechanisms and has led to the development of a solid-state lithium cell that exhibits exceptional durability, surpassing 2500 cycles. This project has resulted in 10 publications, 1 invention disclosure, 8 manuscripts under review or in preparation.

25 ENERGY STORAGE↗
DOE OSTI2023

Factors Influencing Building Demand Flexibility

The U.S. Department of Energy’s National Roadmap for Grid-interactive Efficient Buildings (GEB) acknowledged that building demand flexibility (DF) is both an important strategy to decarbonizing the buildings sector and an important resource for meeting the changing needs of the electrical grid such as improving grid reliability. However, understanding the complexity and uncertainties in real building field performance of DF strategies is a large gap hindering stakeholders on both grid and buildings side to make investments on deploying such strategies. The research work in this report intended to advance understanding of the variability and influential factors in building demand flexibility. Adding such knowledge based on lab testing results and measured performance data from real buildings is an important contribution. The report uses standardized metrics and methods to quantify DF performance from field-measured DF datasets of two significant building groups of big-box retail and medium office buildings to present the challenge of building DF variability in multiple dimensions. The report presents findings related to how several key factors influence building demand flexibility from implementing a common, cost-effective DF control strategy (i.e., adjusting zone temperatures). The findings are supported by full-scale lab testing, field data analysis and simulation research. The authors also provided application-oriented recommendations to stakeholders such as building aggregators, utility program design professionals, sophisticated building portfolio owners, and more.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

Canada-US Blended Cyber-Physical Security Exercise (Final Report)

The Canada-US Blended Cyber-Physical Exercise was a successful, first of its kind, multiorganization and multi-laboratory exercise that culminated years of complex system development and planning. The project aimed to answer three driving research questions, (1) How do cyberattacks support malicious acts leading to theft or sabotage [at a nuclear site]? (2) What are aspects of an effective combined cyber-physical response? (3) How to evaluate effectiveness of that response? Which derived the following primary objectives, 1. The May 2023 Cyber-Physical Exercise shall present a cyber-attack scenario that supports malicious acts leading to theft or sabotage. 2. The May 2023 Cyber-Physical Exercise shall define aspects of an effective combined cyber-physical response. 3. Analysis of the May 2023 Cyber-Physical Exercise shall evaluate the effectiveness of the incident response against pre-established exercise evaluation criteria. 4. Analysis of the May 2023 Cyber-Physical Exercise shall assess the effectiveness of the evaluation criteria itself. 5. Exercises shall be performed in a real-life environment. The team believes these objectives were met, and the evidence will be presented in this report. Due to the novelty of the exercise, there were several lessons learned that will be presented in this report.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
NASA NTRS2005

Gesture Based Control and EMG Decomposition

This paper presents two probabilistic developments for use with Electromyograms (EMG). First described is a new-electric interface for virtual device control based on gesture recognition. The second development is a Bayesian method for decomposing EMG into individual motor unit action potentials. This more complex technique will then allow for higher resolution in separating muscle groups for gesture recognition. All examples presented rely upon sampling EMG data from a subject's forearm. The gesture based recognition uses pattern recognition software that has been trained to identify gestures from among a given set of gestures. The pattern recognition software consists of hidden Markov models which are used to recognize the gestures as they are being performed in real-time from moving averages of EMG. Two experiments were conducted to examine the feasibility of this interface technology. The first replicated a virtual joystick interface, and the second replicated a keyboard. Moving averages of EMG do not provide easy distinction between fine muscle groups. To better distinguish between different fine motor skill muscle groups we present a Bayesian algorithm to separate surface EMG into representative motor unit action potentials. The algorithm is based upon differential Variable Component Analysis (dVCA) [l], [2] which was originally developed for Electroencephalograms. The algorithm uses a simple forward model representing a mixture of motor unit action potentials as seen across multiple channels. The parameters of this model are iteratively optimized for each component. Results are presented on both synthetic and experimental EMG data. The synthetic case has additive white noise and is compared with known components. The experimental EMG data was obtained using a custom linear electrode array designed for this study.

Wheeler, Kevin R.↗
DOE OSTI2024

Integration of New Technology Considering the Trade-Offs Between Operational Benefits and Risks: A Case Study of Dynamic Line Rating

Electric grid operators are adept at handling complexity and uncertainty. However, with increasing introduction of renewable generation, distributed energy resources, and more frequent severe weather events, operators will experience new workload and challenging decision scenarios. Here, this paper quantifies risks and benefits from an operator's perspective of introducing weather based forecast Dynamic Line Ratings (DLR) using variable wind conditions in addition to ambient temperature to relieve transmission congestion and facilitating more offshore wind (OSW). A concept of operations (CONOPS) applied to a forecast DLR implementation and its integration with OSW is defined. A method for evaluating tradeoffs of derating to make the rating more conservative but decreasing the benefit was developed and applied to a case study for two existing overhead transmission lines on Long Island, New York. The CONOPS uses historical day-ahead and hour-ahead High Resolution Rapid Refresh weather forecasts and weather station data to support planning and real-time operations. The analysis determines the risk of downgrades in real-time operational rating compared to the forecast and quantifies the frequency and severity of last-minute downgrades. The risk is compared against the benefits in increased capacity to provide insights on the additional amount of uncertainty DLR and OSW will add to the operator's workload.

17 WIND ENERGY↗
NASA NTRS2019

Scenario Complexity for Unmanned Aircraft System Traffic

This work introduces an approach to estimate the complexity of a low-altitude air traffic scenario involving multiple UASs using mathematical programming. Given a set of multi-point UAS flight trajectories, vehicle dynamics, and a conflict resolution algorithm, an abstract model is developed such that it can be solved quickly using a mathematical programming optimization software without running high-fidelity simulations that can be computationally expensive and may not suit real-time apA quick and accurate assessment of complexity for a given traffic scenario can help plan and schedule flights to alleviate traffic bottleneck and mitigate operation risks, especially for unmanned aerial system traffic management where high traffic density or complexity is expected. This work introduces a traffic scenario complexity metric that was constructed based on the number of potential conflicts weighted by the conflict resolution cost associated. The cost associated with a conflict is calculated based on the corresponding conflict resolution maneuvers. To obtain the conflict resolution maneuvers, a MILP-based optimization was formulated with the vehicle model and conflict management parameters incorporated. To evaluate the complexity metrics, an approach of using measurements from high-fidelity simulations was proposed. The scenario complexity measurements for 920 random-generated scenarios were obtained through high-fidelity simulations and treated as the ground truth. Two statistics methods: Pearson and Alternative Conditional Expectations were applied for analysis. The results showed that the number of flights has low correlation with the scenario complexity according to the correlation coefficients calculated by both methods. The Alternative Conditional Expectations method shows that the proposed scenario complexity metric has better correlation with the ground truth than the number of potential conflicts.plications. In the abstract model, each vehicle is represented by a time-varied vector associated with position, speed, and heading information. The total extra distance that aircraft need to divert from their original routes to avoid collisions is computed and used to setup a quadratic programming formula. The metrics including the number of conflicts and extra distances travelled by all vehicles are then utilized to estimate the complexity of a given UAS flight scenario. Results and verification against high-fidelity simulations will be provided in the final draft.

traffic complexity↗
NASA NTRS2012

Development of Waypoint Planning Tool in Response to NASA Field Campaign Challenges

Airborne real time observations are a major component of NASA's Earth Science research and satellite ground validation studies. For mission scientists, planning a research aircraft mission within the context of meeting the science objectives is a complex task because it requires real time situational awareness of the weather conditions that affect the aircraft track. Multiple aircrafts are often involved in NASA field campaigns. The coordination of the aircrafts with satellite overpasses, other airplanes and the constantly evolving, dynamic weather conditions often determines the success of the campaign. A flight planning tool is needed to provide situational awareness information to the mission scientists, and help them plan and modify the flight tracks. Scientists at the University of Alabama-Huntsville and the NASA Marshall Space Flight Center developed the Waypoint Planning Tool, an interactive software tool that enables scientists to develop their own flight plans (also known as waypoints) with point -and-click mouse capabilities on a digital map filled with real time raster and vector data. The development of this Waypoint Planning Tool demonstrates the significance of mission support in responding to the challenges presented during NASA field campaigns. Analysis during and after each campaign helped identify both issues and new requirements, and initiated the next wave of development. Currently the Waypoint Planning Tool has gone through three rounds of development and analysis processes. The development of this waypoint tool is directly affected by the technology advances on GIS/Mapping technologies. From the standalone Google Earth application and simple KML functionalities, to Google Earth Plugin and Java Web Start/Applet on web platform, and to the rising open source GIS tools with new JavaScript frameworks, the Waypoint Planning Tool has entered its third phase of technology advancement. The newly innovated, cross ]platform, modular designed JavaScript ]controlled Way Point Tool is planned to be integrated with NASA Airborne Science Mission Tool Suite. Adapting new technologies for the Waypoint Planning Tool ensures its success in helping scientists reach their mission objectives. This presentation will discuss the development processes of the Waypoint Planning Tool in responding to field campaign challenges, identify new information technologies, and describe the capabilities and features of the Waypoint Planning Tool with the real time aspect, interactive nature, and the resultant benefits to the airborne science community.

He, Matt↗
NASA NTRS2019

Improvements to the Copernicus Trajectory Design and Optimization System for Complex Space Trajectories

The purpose of this assessment was to develop updates and new features for the NASA Copernicus Spacecraft Trajectory Design and Optimization analysis tool (version 5.0) for application to NASA programs and projects. These updates will significantly improve the ability to design and optimize complex trajectories over multiple trajectory phases; will allow the use of unique vehicle-specific guidance, control, and trajectory strategies and constraints; and the creation of an almost unlimited number of unique user-defined capabilities. The primary stakeholders for this assessment are the trajectory design and optimization analysts and engineers, and the chief engineers and project managers for existing programs, projects, and/or tasks that involve impulsive, finite burn, and/or continuous thrust trajectories (e.g., Sun, planet, comet, asteroid, halo orbit, Lagrange point, and distant retrograde orbit). The breadth of application spans the preliminary engineering and mission design concepts and optimization, to the development of candidate reference missions and integrated mission design for vehicle system design and operation, to the design and development of flight trajectories and associated propulsive maneuvers for real-time operations.

Murri, Daniel G.↗
DOE OSTI2022

Addressing Uncertainty in MultiSector Dynamics Research

MultiSector Dynamics (MSD) research explores the dynamics and co-evolutionary pathways of human and Earth systems and the emerging interdependent sectors of energy, water, agriculture, and transportation among others. The interactions between these sectors are central to MSD science, as they capture how processes and feedbacks across Earth, environmental, infrastructure, and societal systems shape transitions, socioeconomic risks, and the provision of services. By definition, MSD research requires deep integration across diverse scientific disciplines, ranging from the natural to the social sciences and engineering. All these disciplines apply a variety of numerical simulation models to study and understand their underlying systems of focus. The utility of these models hinges on the fidelity with which they represent the real systems and their ability to produce novel insights about systems and their interactions. The coupled human-natural systems typically represented are shaped by a multitude of interdependent human and natural processes which, when modeled, translate to highly complex, non-linear, interacting behaviors. This ever-increasing complexity massively expands the uncertainty space of a model and can be found in model inputs, processes and parameters. This is further amplified when several models are combined to answer multisectoral questions, as additional uncertainty regarding coupling relationships and interactions is introduced.

IM3, Uncertainty and Sensitivity Analysis, multise↗
DOE OSTI2026

pathSQE : an automated workflow for single-crystal inelastic neutron scattering data processing and analysis

Inelastic neutron scattering (INS) experiments utilizing modern time-of-flight spectrometers enable the comprehensive mapping of the energy (E)- and momentum (Q)-resolved dynamical structure factor of single crystals, probing both the lattice and magnetic excitations. Yet, the large size and complexity of four-dimensional INS data are challenging current analysis workflows, often resulting in an underutilization of the measured information. To help address this issue, this paper introduces new software interfaced with the Mantid framework, pathSQE, designed to streamline the processing, analysis and interpretation of 4D single-crystal INS data. By automating key tasks such as 1D/2D slicing, symmetrization, Brillouin zone folding, data visualization, prioritization and filtering, and comparisons with simulations, pathSQE facilitates and accelerates INS data analysis workflows. Here, this paper outlines the features and implementation and provides several illustrations of the use of pathSQE on data collected on single crystals using direct-geometry time-of-flight spectrometers at the Spallation Neutron Source, including Ge, FeSi, MnO and SnS single-crystal measurements on the ARCS, HYSPEC and CNCS neutron spectrometers. Beyond streamlining post-experiment data processing, pathSQE establishes an automated and modular processing pipeline that could support future real-time experiment steering.

36 MATERIALS SCIENCE↗
DOE OSTI2022

U.S. Department of Energy: National Virtual Biotechnology Laboratory (Technical Report)

With funding from the CARES Act, the U.S Department of Energy (DOE) established the National Virtual Biotechnology Laboratory (NVBL) in March 2020 to address key challenges associated with the COVID-19 crisis. The NVBL brought together the broad scientific and technical expertise and resources of DOE’s 17 national laboratories to help tackle medical supply shortages, discover potential drugs to fight the virus, develop and validate COVID-19 testing methods, model disease spread and impact across the nation, and understand virus transport in buildings and the environment. National laboratory resources leveraged for this effort include a suite of world-leading user facilities broadly available to the research community, such as light and neutron sources, nanoscale science research centers, sequencing and biocharacterization facilities, and high-performance computing facilities. As part of the NVBL framework, DOE rapidly assembled five project teams to (1) identify new targets for medical therapeutics; (2) develop innovations in testing capabilities; (3) provide epidemiological and logistical support; (4) understand viral fate and transport in the environment; and (5) address supply chain bottlenecks by harnessing extensive additive manufacturing capabilities. Each research team was charged with defining high-impact projects that could be completed in a 6-month sprint while coordinating their developments with academia, other government agencies, and the private sector. Within months, NVBL teams used DOE’s high-performance computers and light and neutron sources to identify promising candidates for antibodies and antivirals that universities and drug companies are now evaluating. NVBL researchers also developed new diagnostic targets and sample collection approaches, and supported efforts by the U.S. Food and Drug Administration, Centers for Disease Control and Prevention, and U.S. Department of Defense to establish national guidelines used in administering millions of tests. Researchers used artificial intelligence and high-performance computing to produce near-real-time data analysis to forecast disease transmission, stress on public health infrastructure, and economic impact, which supported decision-makers at the local, state, and national levels. To minimize virus uptake and protect human health, NVBL teams studied how to control indoor virus movement. Researchers also produced innovations in materials and advanced manufacturing that mitigated shortages in test kits and personal protective equipment, creating nearly 1,000 new jobs. Through its NVBL framework, DOE has contributed significantly to the nation’s COVID response, demonstrating in only a few months the critical impact of its national laboratories. NVBL’s accomplishments demonstrate not only the powerful resource represented by DOE’s national laboratories working together to meet national needs, but also the effectiveness of the integrated NVBL framework for rapidly responding to emergencies with research and development solutions. Going forward, the NVBL is poised to apply the unique capabilities and expertise of the national laboratory complex to future national and international emergencies, both natural and engineered. Through this framework, DOE will continue to be an integral component of agency-wide efforts to prepare for and respond to biorisks and other crises. This technical report describes the goals, progress, and results of NVBL’s five project teams—Molecular Design for COVID-19 Therapeutics, COVID-19 Testing, Epidemiological Modeling, Viral Fate and Transport, and Materials and Manufacturing of Critical Supplies—and lists each team’s publications and research output.

42 ENGINEERING↗
NASA NTRS2008

Verification and Planning Based on Coinductive Logic Programming

Coinduction is a powerful technique for reasoning about unfounded sets, unbounded structures, infinite automata, and interactive computations [6]. Where induction corresponds to least fixed point's semantics, coinduction corresponds to greatest fixed point semantics. Recently coinduction has been incorporated into logic programming and an elegant operational semantics developed for it [11, 12]. This operational semantics is the greatest fix point counterpart of SLD resolution (SLD resolution imparts operational semantics to least fix point based computations) and is termed co- SLD resolution. In co-SLD resolution, a predicate goal p( t) succeeds if it unifies with one of its ancestor calls. In addition, rational infinite terms are allowed as arguments of predicates. Infinite terms are represented as solutions to unification equations and the occurs check is omitted during the unification process. Coinductive Logic Programming (Co-LP) and Co-SLD resolution can be used to elegantly perform model checking and planning. A combined SLD and Co-SLD resolution based LP system forms the common basis for planning, scheduling, verification, model checking, and constraint solving [9, 4]. This is achieved by amalgamating SLD resolution, co-SLD resolution, and constraint logic programming [13] in a single logic programming system. Given that parallelism in logic programs can be implicitly exploited [8], complex, compute-intensive applications (planning, scheduling, model checking, etc.) can be executed in parallel on multi-core machines. Parallel execution can result in speed-ups as well as in larger instances of the problems being solved. In the remainder we elaborate on (i) how planning can be elegantly and efficiently performed under real-time constraints, (ii) how real-time systems can be elegantly and efficiently model- checked, as well as (iii) how hybrid systems can be verified in a combined system with both co-SLD and SLD resolution. Implementations of co-SLD resolution as well as preliminary implementations of the planning and verification applications have been developed [4]. Co-LP and Model Checking: The vast majority of properties that are to be verified can be classified into safety properties and liveness properties. It is well known within model checking that safety properties can be verified by reachability analysis, i.e, if a counter-example to the property exists, it can be finitely determined by enumerating all the reachable states of the Kripke structure.

Bansal, Ajay↗