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DOE OSTI2024

Multi-Rigor Agile Verification and Rapid Prototyping for Formally Verified Software

We propose a novel approach to developing formally verified systems through Multi-rigor Agile Verification. Multi-rigor Agile Verification is rooted in the hypothesis of Rigor Independence, that a system’s specification and verification architecture depend primarily on the system requirements to be verified, and they depend very little on the rigor level of the methods used to verify those requirements. Due to its iterative nature, Multi-rigor Agile Verification promises to mitigate many of the high upfront design costs experienced by formally verified systems and to deliver a better-architected, and thus better-trusted, system in the end. We then discuss the tooling needed to perform Multi-rigor Agile Verification and go in depth to build one of those tools, which directly generates executable prototype code from declarative formal specifications using the Maude rewrite-logic framework.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

A Comprehensive Calibration Framework for the Northwest River Forecast Center

We present a comprehensive framework developed by the Northwest River Forecast Center for calibrating hydrologically diverse basins. The framework includes models for snow, soil moisture, routing, channel loss, and consumptive use. Data inputs include a wide range of open-access datasets for meteorology, land use, topography, and land cover. The framework uses conceptual hydrologic models to handle basins with various hydrologic regimes including rain-driven and snowmelt-dominated basins. We also develop a flexible automatic calibration system that can handle numerous unobservable model parameters in a computationally efficient manner. A single-basin automatic calibration run can typically be completed on a modern laptop in under 10 min. We found that model performance metrics for this new approach match the quality of the NWRFC's previous labor-intensive manual calibrations. The model performance also rivals that of a state-of-the-art deep learning model at a fraction of the computational cost. This framework presents a new standard for the quality of calibrations possible with lumped conceptual hydrologic models, combining careful data curation, an objective calibration framework, and expert local knowledge. In addition, we have made software packages available for the entire suite of National Weather Service River Forecast System models, including SAC-SMA, SNOW-17, and Lag-K. These modern interfaces are intended to increase accessibility and facilitate future research.

Forecasting↗

DOE OSTI2025

Enabling Next Generation Reaction Injection Molding (RIM) for Lightweight Structures

Replacing metal components in trucks, trailers, and buses with lightweight polymer composites is challenging due to high temperatures and complex manufacturing. The Reaction Injection Molding (RIM) process using Dicyclopentadiene (DCPD) resin offers a solution by producing robust parts with excellent stiffness, impact strength, and resistance properties. Simulations are essential for optimizing this process, predicting defects, and improving quality. However, most commercial software is tailored for thermoplastics, requiring thermoset users to generate their own datasets. In this project, a material data card for DCPD was developed to perform RIM simulations. Design of Experiments (DOE) was used to identify key factors affecting filling, curing, and warpage, aiming to minimize cycle time and defects. The simulations explored varying injection gate parameters (size, location, number) and process conditions (mold/resin temperature, injection/curing pressure). Results showed that gate design significantly impacts filling behavior and defects. A single central gate provided balanced flow with fewer defects, while two corner gates led to more defects. Additionally, lower injection pressure increased filling time, while higher mold temperature accelerated curing but led to more warpage. This optimization framework aims to enhance DCPD part performance and promote sustainable manufacturing by reducing waste and energy consumption. This research has been performed in collaborations with McClarin Composites. The research outcome has been submitted to the Journal of Manufacturing Processes.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Roadmap on methods and software for electronic structure based simulations in chemistry and materials

This Roadmap article provides a succinct, comprehensive overview of the state of electronic structure methods and software for molecular and materials simulations. Seventeen distinct sections collect insights by 51 leading scientists in the field. Each contribution addresses the status of a particular area, as well as current challenges and anticipated future advances, with a particular eye towards software related aspects and providing key references for further reading. Foundational sections cover density functional theory and its implementation in real-world simulation frameworks, Green's function based many-body perturbation theory, wave-function based and stochastic electronic structure approaches, relativistic effects and semiempirical electronic structure theory approaches. Subsequent sections cover nuclear quantum effects, real-time propagation of the electronic structure, challenges for computational spectroscopy simulations, and exploration of complex potential energy surfaces. The final sections summarize practical aspects, including computational workflows for complex simulation tasks, the impact of current and future high-performance computing architectures, software engineering practices, education and training to maintain and broaden the community, as well as the status of and needs for electronic structure based modeling from the vantage point of industry environments. Overall, the field of electronic structure software and method development continues to unlock immense opportunities for future scientific discovery, based on the growing ability of computations to reveal complex phenomena, processes and properties that are determined by the make-up of matter at the atomic scale, with high precision.

36 MATERIALS SCIENCE↗

NASA NTRS1993

Software Formal Inspections Guidebook

The Software Formal Inspections Guidebook is designed to support the inspection process of software developed by and for NASA. This document provides information on how to implement a recommended and proven method for conducting formal inspections of NASA software. This Guidebook is a companion document to NASA Standard 2202-93, Software Formal Inspections Standard, approved April 1993, which provides the rules, procedures, and specific requirements for conducting software formal inspections. Application of the Formal Inspections Standard is optional to NASA program or project management. In cases where program or project management decide to use the formal inspections method, this Guidebook provides additional information on how to establish and implement the process. The goal of the formal inspections process as documented in the above-mentioned Standard and this Guidebook is to provide a framework and model for an inspection process that will enable the detection and elimination of defects as early as possible in the software life cycle. An ancillary aspect of the formal inspection process incorporates the collection and analysis of inspection data to effect continual improvement in the inspection process and the quality of the software subjected to the process.

Source record↗

NASA NTRS2011

HEASARC - The High Energy Astrophysics Science Archive Research Center

The High Energy Astrophysics Science Archive Research Center (HEASARC) is NASA's archive for high-energy astrophysics and cosmic microwave background (CMB) data, supporting the broad science goals of NASA's Physics of the Cosmos theme. It provides vital scientific infrastructure to the community by standardizing science data formats and analysis programs, providing open access to NASA resources, and implementing powerful archive interfaces. Over the next five years the HEASARC will ingest observations from up to 12 operating missions, while serving data from these and over 30 archival missions to the community. The HEASARC archive presently contains over 37 TB of data, and will contain over 60 TB by the end of 2014. The HEASARC continues to secure major cost savings for NASA missions, providing a reusable mission-independent framework for reducing, analyzing, and archiving data. This approach was recognized in the NRC Portals to the Universe report (2007) as one of the HEASARC's great strengths. This poster describes the past and current activities of the HEASARC and our anticipated developments in coming years. These include preparations to support upcoming high energy missions (NuSTAR, Astro-H, GEMS) and ground-based and sub-orbital CMB experiments, as well as continued support of missions currently operating (Chandra, Fermi, RXTE, Suzaku, Swift, XMM-Newton and INTEGRAL). In 2012 the HEASARC (which now includes LAMBDA) will support the final nine-year WMAP data release. The HEASARC is also upgrading its archive querying and retrieval software with the new Xamin system in early release - and building on opportunities afforded by the growth of the Virtual Observatory and recent developments in virtual environments and cloud computing.

Smale, Alan P.↗

NASA NTRSDate not supplied

Development of a Comprehensive Physics-Based Model for Study of NASA Gateway Lunar Dust Contamination

NASA is committed to landing the first woman and first person of color on the Moon by 2025 to begin a sustaining presence. A major component of this mission is NASA’s orbiting lunar outpost, Gateway, that will be subjected to the harsh environment of space during its 7-day orbit around the Moon. One aspect of this environment that is not well quantified is microscopic lunar regolith particles, or simply, lunar dust. As Apollo 17 Mission Commander Eugene Cernan said, “I think dust is probably one of our greatest inhibitors to a nominal operation on the moon. I think we can overcome other physiological or physical or mechanical problems except dust” [1]. These dust particles, most of which are smaller than the width of two human hairs and of highly irregular shape, are composed mainly of dielectric materials. Such characteristics can allow the dust particles to collect electric charge from the surrounding environment, resulting in electrostatic interactions between the dust, electromagnetic fields, and electrically charged surfaces [2-3]. Due to the nature of these fields, dust can collect on and contaminate charged surfaces. Lunar dust introduced into the Gateway environment by a lunar ascent vehicle element returning from the surface of the Moon presents risks to Gateway hardware such as radiators, solar arrays, antennae, and docking mechanisms. To quantify this risk and inform NASA, International Partner, and Commercial Provider stakeholders, Booz Allen, in partnership with NASA, is developing a toolset to model the interaction of charged lunar dust particles with the cis-lunar and deep-space environments. This includes a comprehensive physics model of the space plasma and solar radiation environment and electromagnetic interaction of spacecraft and lunar dust. Spacecraft charging and plasma environment are solved using the open-source code from The French Aerospace Lab (ONERA) and the European Space Agency (ESA), known as Spacecraft Plasma Interaction Software (SPIS) [4]. The physics of particle charging and motion is handled by a time-dependent implementation of Orbital-Motion-Limited (OML) theory which accounts for plasma flows and positive potential grains [5-7], using Siemens STAR-CCM+ as the framework. Model validation includes lab experiments by NASA experts and academia, as well as future on-orbit dust detecting payloads on the exterior of Gateway and Commercial Lunar Payload Services (CLPS) missions to the lunar surface [7-9]. The results and analyses will inform Gateway Program system owners at risk for lunar dust contamination.

Complex Plasma↗

DOE OSTI2025

Simulation-driven design optimization of reaction injection molding (RIM) process for polydicyclopentadiene (pDCPD): Minimizing cycle time, defects, and warpage

Replacing metal components in trucks, trailers, and buses with lightweight polymer composites is challenging due to high temperatures and complex manufacturing. The Reaction Injection Molding (RIM) process using Dicyclopentadiene (DCPD) resin offers a solution by producing robust parts with excellent stiffness, impact strength, and resistance properties. Simulations are essential for optimizing this process, predicting defects, and improving quality. However, most commercial software is tailored for thermoplastics, requiring thermoset users to generate their own datasets. In this study, a material data card for DCPD was developed to perform RIM simulations. Design of Experiments (DOE) was used to identify key factors affecting filling, curing, and warpage, aiming to minimize cycle time and defects. The simulations explored varying injection gate parameters (size, location, number) and process conditions (mold/resin temperature, injection/curing pressure). Results showed that gate design significantly impacts filling behavior and defects. A single central gate provided balanced flow with fewer defects, while two corner gates led to more defects. Additionally, lower injection pressure increased filling time, while higher mold temperature accelerated curing but led to more warpage. In conclusion, this optimization framework aims to enhance DCPD part performance and promote sustainable manufacturing by reducing waste and energy consumption.

42 ENGINEERING↗

DOE OSTI2024

R&D to Ensure a Scientific Basis for Qualification Tests and Standards (Final Report)

Project return on investment in a photovoltaic (PV) system depends increasingly on maintaining high energy yields, and the system lifetime is a major factor in levelized cost of electricity (LCOE). Thus, the rate of PV deployment and the success of these assets depends upon reliable long-term power generation. The overarching objective of this program is to improve photovoltaic (PV) module reliability via development of tests and standards. Where reliability problems or risk are discovered, we can design tests to ensure that these liabilities don't affect future generations of products. Customers can use these tests to understand which products are susceptible to certain degradation mechanisms, and manufacturers can use the tests to design unwanted characteristics out of their products. The work under this program identifies PV reliability needs, performs characterization that provides scientific understanding of targeted degradation mechanisms, and translates those data into practical and predictive test protocols and standards. Major accomplishments include: A model for polarization-type potential induced degradation (PID-p) was developed and validated against experimental data. NREL is currently leading a new edition of IEC 62804-1 for PID detection. PID-p can cause large losses in current and voltage for some module designs on cloudy days. Finite element modeling (FEM) and experiment was used to determine when cells crack in a module. It was shown that cells in landscape orientation are much more likely to crack than those on portrait orientation. Shortly thereafter, the first products with portrait-oriented cells were introduced. Studies of how to test for light and elevated temperature degradation (LeTID) culminated with the publication of IEC TS 63342. Software to predict the progression of LeTID was developed, validated, and made publicly available. Field validated tests and international standards for durability of PV module coatings abrasion, backsheets, and encapsulants were developed. Examples are IEC 62788-1-1, IEC 62788-2 ED2, IEC TS 62788-7-2, IEC 62788-7-3 ED1, IEC 63209-2. NREL led the development a high-temperature testing technical specification, and published guidelines that enable installers to determine whether higher-temperature testing is needed, simply based on location and mounting configuration. In a number of our case studies, variations in the bills of materials or workmanship have been associated with variations in reliability. These observations emphasize the importance of quality assurance to reliability. A framework for criticality (i.e. Pareto) analysis was developed and published. The framework helps us and other researchers determine what problems should be addressed for reliability research to have the biggest industry impact. NREL continues to participate actively in international standards development and stakeholder engagement activities, including organizing an annual PV Reliability Workshop. These activities are important for ensuring we address issues that are relevant and timely, and that we convey our results to those who may benefit.

14 SOLAR ENERGY↗

NASA NTRS2009

Hypersonic Navier Stokes Comparisons to Orbiter Flight Data

Hypersonic chemical nonequilibrium simulations of low earth orbit entry flow fields are becoming increasingly commonplace as software and computational capabilities become more capable. However, development of robust and accurate software to model these environments will always encounter a significant barrier in developing a suite of high quality calibration cases. The US3D hypersonic nonequilibrium Navier Stokes analysis capability has been favorably compared to a number of wind tunnel test cases. Extension of the calibration basis for this software to Orbiter flight conditions will provide an incremental increase in confidence. As part of the Orbiter Boundary Layer Transition Flight Experiment and the Hypersonic Thermodynamic Infrared Measurements project, NASA is performing entry flight testing on the Orbiter to provide valuable aerothermodynamic heating data. An increase in interest related to orbiter entry environments is resulting from this activity. With the advent of this new data, comparisons of the US3D software to the new flight testing data is warranted. This paper will provide information regarding the framework of analyses that will be applied with the US3D analysis tool. In addition, comparisons will be made to entry flight testing data provided by the Orbiter BLT Flight Experiment and HYTHIRM projects. If data from digital scans of the Orbiter windward surface become available, simulations will also be performed to characterize the difference in surface heating between the CAD reference OML and the digitized surface provided by the surface scans.

Campbell, Charles H.↗

NASA NTRS2022

A Central Asia Hydrologic Monitoring Dataset for Food and Water Security Applications in Afghanistan

From the Hindu Kush mountains to the Registan Desert, Afghanistan is a diverse landscape where droughts, floods, conflict, and economic market accessibility pose challenges for agricultural livelihoods and food security. The ability to remotely monitor environmental conditions is critical to support decision making for humanitarian assistance. The Famine Early Warning Systems Network (FEWS NET) Land Data Assimilation System (FLDAS) global and Central Asia data streams provide information on hydrologic states for routine integrated food security analysis. While developed for a specific project, these data are publicly available and useful for other applications that require hydrologic estimates of the water and energy balance. These two data streams are unique because of their suitability for routine monitoring, as well as for being a historical record for computing relative indicators of water availability. The global stream is available at ∼ 1-month latency, and monthly average outputs are on a 10 km grid from 1982–present. The second data stream, Central Asia (21–56°N, 30–100°E), at ∼ 1 d latency, provides daily average outputs on a 1 km grid from 2000–present. This paper describes the configuration of the two FLDAS data streams, background on the software modeling framework, selected meteorological inputs and parameters, and results from previous evaluation studies. We also provide additional analysis of precipitation and snow cover over Afghanistan. We conclude with an example of how these data are used in integrated food security analysis. For use in new and innovative studies that will improve understanding of this region, these data are hosted by U.S. Geological Survey data portals and the National Aeronautics and Space Administration (NASA). The Central Asia data described in this paper can be accessed via the NASA repository at https://doi.org/10.5067/VQ4CD3Y9YC0R (Jacob and Slinski, 2021), and the global data described in this paper can be accessed via the NASA repository at https://doi.org/10.5067/5NHC22T9375G (McNally, 2018).

Amy McNally↗

NASA NTRS1999

Robotic Rock Classification

This report describes a three-month research program undertook jointly by the Robotics Institute at Carnegie Mellon University and Ames Research Center as part of the Ames' Joint Research Initiative (JRI.) The work was conducted at the Ames Research Center by Mr. Liam Pedersen, a graduate student in the CMU Ph.D. program in Robotics under the supervision Dr. Ted Roush at the Space Science Division of the Ames Research Center from May 15 1999 to August 15, 1999. Dr. Martial Hebert is Mr. Pedersen's research adviser at CMU and is Principal Investigator of this Grant. The goal of this project is to investigate and implement methods suitable for a robotic rover to autonomously identify rocks and minerals in its vicinity, and to statistically characterize the local geological environment. Although primary sensors for these tasks are a reflection spectrometer and color camera, the goal is to create a framework under which data from multiple sensors, and multiple readings on the same object, can be combined in a principled manner. Furthermore, it is envisioned that knowledge of the local area, either a priori or gathered by the robot, will be used to improve classification accuracy. The key results obtained during this project are: The continuation of the development of a rock classifier; development of theoretical statistical methods; development of methods for evaluating and selecting sensors; and experimentation with data mining techniques on the Ames spectral library. The results of this work are being applied at CMU, in particular in the context of the Winter 99 Antarctica expedition in which the classification techniques will be used on the Nomad robot. Conversely, the software developed based on those techniques will continue to be made available to NASA Ames and the data collected from the Nomad experiments will also be made available.

Hebert, Martial↗

NASA NTRS2015

Kodiak: An Implementation Framework for Branch and Bound Algorithms

Recursive branch and bound algorithms are often used to refine and isolate solutions to several classes of global optimization problems. A rigorous computation framework for the solution of systems of equations and inequalities involving nonlinear real arithmetic over hyper-rectangular variable and parameter domains is presented. It is derived from a generic branch and bound algorithm that has been formally verified, and utilizes self-validating enclosure methods, namely interval arithmetic and, for polynomials and rational functions, Bernstein expansion. Since bounds computed by these enclosure methods are sound, this approach may be used reliably in software verification tools. Advantage is taken of the partial derivatives of the constraint functions involved in the system, firstly to reduce the branching factor by the use of bisection heuristics and secondly to permit the computation of bifurcation sets for systems of ordinary differential equations. The associated software development, Kodiak, is presented, along with examples of three different branch and bound problem types it implements.

Smith, Andrew P.↗

NASA NTRS2020

Hardware Verification and Validation for a Navigation Sensor Software Model in Support of Flight Vehicle Performance Analysis

… or, “It’s in the details, how to make complicated software perform like complicated hardware.” In attempts to minimize development time and quickly build an operational vehicle, NASA’s Space Launch System (SLS) has had to be intentional about integrated testing. Constraints on budget and schedule have required balance between testing needs and the desire for an integrated flight vehicle as soon as possible. To provide key insights early in design and analysis cycles, a large amount of effort has shifted into maturing and validating models at the component level with integrated testing as a means to validate their integration. In terms of SLS Navigation, this, and the model-based design approach have pushed explicit requirements for sensor models to be validated against flight hardware to high precision. This paper covers the approach taken to verify and validate the models for the two key navigation sensors on the SLS vehicle, the Redundant Inertial Navigation Sensor and the Rate Gyro Assembly. These models are used in performance evaluation, fault detection, and operations development extensively. Using a mix of data from hardware vendor documentation and testing reports, limited in-house testing, and integration activities, these models were able to be validated against flight hardware at multiple levels, from the internal software design to statistical behavior at the raw sensor and integrated box levels. The high level of insight into the hardware elements is instrumental to support flight certification activities and building confidence in SLS Navigation capability. Focused testing enabled additional insight and validation that proved invaluable and the resulting insights were used to focus and mature models. Additionally, of having validated performance-based hardware models enables a wide breadth of activities including detailed fault detection studies and integration into future vehicle frameworks, such as an upper stage and provide a valuable asset to continued SLS analysis and design.

Evan J Anzalone↗

NASA NTRS2020

Hardware Verification and Validation for a Navigation Sensor Software Model in Support of Flight Vehicle Performance Analysis

Thomas Park↗

DOE OSTI2026

Improving ICARUS track reconstruction algorithms

The ICARUS experiment is part of the Short-Baseline Neutrino program at Fermilab. Its primary objective is to explore the possible existence of sterile neutrinos in the O(1 eV) mass range and to clarify the anomalies observed in the Liquid Scintillator Neutrino Detector and MiniBooNE experiments. The ICARUS-T600 detector is a Liquid Argon Time Projection Chamber, capable of producing high-resolution 3D images and precise calorimetric measurements of ionizing particles. This technology allows for a detailed study of neutrino interactions across a broad energy range, from a few keV to several hundred GeV. The track reconstruction is achieved through a software framework that applies a series of pattern recognition algorithms, transforming raw detector signals into fully reconstructed event topologies. This process involves identifying interaction vertices, particle tracks, and electromagnetic showers within the TPC. However, in certain cases, these algorithms may mistakenly break a single particle track into several shorter segments, interpreting each as a distinct particle. Since track length is used to estimate the particle's energy, such fragmentation can result in an energy underestimation of several hundred MeV. Furthermore, when a track is split into multiple segments, the particle identification (which relies on analyzing the energy loss as a function of the residual range) may fail, potentially leading to the loss of the entire event. To mitigate this problem, we have developed a dedicated algorithm designed to identify and reconnect (“stitch”) the tracks that were erroneously divided into multiple segments.

Ricci, Alessandro Maria [Pisa U.; INFN, Pisa] (ORC↗

NASA NTRS2013

Scheduling Operations for Massive Heterogeneous Clusters

High-performance computing (HPC) programming has become increasingly difficult with the advent of hybrid supercomputers consisting of multicore CPUs and accelerator boards such as the GPU. Manual tuning of software to achieve high performance on this type of machine has been performed by programmers. This is needlessly difficult and prone to being invalidated by new hardware, new software, or changes in the underlying code. A system was developed for task-based representation of programs, which when coupled with a scheduler and runtime system, allows for many benefits, including higher performance and utilization of computational resources, easier programming and porting, and adaptations of code during runtime. The system consists of a method of representing computer algorithms as a series of data-dependent tasks. The series forms a graph, which can be scheduled for execution on many nodes of a supercomputer efficiently by a computer algorithm. The schedule is executed by a dispatch component, which is tailored to understand all of the hardware types that may be available within the system. The scheduler is informed by a cluster mapping tool, which generates a topology of available resources and their strengths and communication costs. Software is decoupled from its hardware, which aids in porting to future architectures. A computer algorithm schedules all operations, which for systems of high complexity (i.e., most NASA codes), cannot be performed optimally by a human. The system aids in reducing repetitive code, such as communication code, and aids in the reduction of redundant code across projects. It adds new features to code automatically, such as recovering from a lost node or the ability to modify the code while running. In this project, the innovators at the time of this reporting intend to develop two distinct technologies that build upon each other and both of which serve as building blocks for more efficient HPC usage. First is the scheduling and dynamic execution framework, and the second is scalable linear algebra libraries that are built directly on the former.

Humphrey, John↗

NASA NTRS2020

Development of a Supervisory Tool for Fault Detection and Diagnosis of DC Electric Power Systems with the Application of Deep Space Vehicles

This dissertation formulates the problem of fault detection and diagnosis of DC electric power systems for the application of autonomous spacecraft. The ability to accurately identify and isolate failures in the electrical power system is critical to ensure the reliability of a spacecraft. This problem becomes more pronounced during deep space missions that lack the ability to monitor from ground control. The current state of electrical power system fault supervision is insufficient to guarantee highly reliable and robust operation. To solve this issue, a combination of model-based and rules-based techniques are used in a hierarchical framework to improve the diagnostic performance of the spacecraft electrical power system. Noise, disturbances, and modeling errors are considered in the design of the method. Practical considerations related to the hardware and software are discussed for the flight application. A wide array of failure types are simulated in a series of experiments to assess the functionality of the design. The experiments showed that the methods used improved the diagnostic capability of the autonomous system while taking into account the limitations attributed to flight software requirements. The significance of this study is to provide a framework capable of advanced diagnostics of an electrical power system with little to no interaction from a human operator.

Fault Detection and Diagnosis↗