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NASA NTRSDate not supplied

A Safety-Driven Approach to Exploring and Comparing Air Traffic Management Concepts for Enabling Urban Air Mobility

There is broad recognition that the high tempo and density of Urban Air Mobility (UAM) operations will require identifying new Air Traffic Management (ATM) concepts to safely integrate UAM air traffic into the airspace alongside existing air traffic. However, the simulation models used to compare ATM concepts today are difficult to apply during the early stages of concept development and do not offer enough support in identifying potential new concepts. In addition, they have limited ability to evaluate ATM concepts in terms of safety, security, and other key emergent properties. Instead of using simulation to evaluate ATM concepts, this paper demonstrates how a safety-driven systems engineering approach based on Systems-Theoretic Accident Model and Processes (STAMP) can be used to design properties such as safety into an ATM system from the earliest stages of development. Using a hazard analysis technique called Systems-Theoretic Process Analysis (STPA), system requirements and the desired ATM behavior are derived. As an example, two possible ATM concepts to implement that behavior are compared to identify their safety-related benefits and tradeoffs. This new approach enables (1) systematic exploration of alternative ATM concepts and (2) identification of the safety-related tradeoffs between concepts as early as possible in the development process.

system safety↗

NASA NTRSDate not supplied

In-Depth Modeling and Simulation Analysis of Artemis Missions Using the Impact Probabilistic Risk Assessment Tool

BACKGROUND The Artemis campaign is a Moon exploration program with a series of six planned missions, five of which will be crewed. These five crewed missions will contain a single mission segment (space flight), or multiple mission segments involving space flight (Orion), lunar landing (LTV) and/or space habitat (Gateway). Each crewed segment faces the risk of unique medical conditions, necessitating medical sets/kits tailored to those specificities. To support and enable a data-driven and evidence-based decision-making process through out a mission’s life cycle, a software tool called IMPACT was developed. Using probabilistic risk assessment (PRA) methodologies, IMPACT (Informing Mission Planning via Analysis of Complex Tradespaces) is a novel tool built for analyzing the possibility of encountering complex medical risks during space flight, and for identifying the medical resources and capabilities needed to treat those potential at-risk medical conditions. IMPACT achieves this by performing hundreds of thousands of Monte Carlo simulations of missions to build aggregate pictures of medical risk. During an extended simulation modeling phase, IMPACT generated analytical results for medical risks, and the medical resources and capabilities to address those risks, for every segment of every crewed Artemis mission. This presentation will highlight the reliability, consistency and validity of IMPACT’s computational modeling techniques and will showcase the library of analytical outcomes generated for the Artemis missions. OVERVIEW During the early stages of IMPACT’s design, architecture and technical requirements collection, “scenarios” (use cases) - achievement goals required for acceptance testing, were identified by stakeholders. IMPACT successfully completed the scenario testing requirements and undertook an extensive operational run phase utilizing a wide range of input combinations with a goal of delivering a cohesive, trustworthy, reliable, vast, and diverse body of evidence. The intent of these modeling runs was to validate consistency in output, ensure solidity of executable operations and to streamline processes by identifying areas requiring efficiency improvements. Using the many missions of Artemis, IMPACT ran variations of operational runs to assess the output for acceptable, as well as unusual characteristics. This rigorous long-term “shakedown” analysis was implemented to help build a collective body of evidence to aid in securing a high level of confidence, reliability, and validity in the output, whether from the applicational components of IMPACT, or the entirety of the operational process. ANTICIPATED ANALYSIS AND CONCLUSION This presentation will discuss the various categories of input criteria; the comparisons in the application of these input criteria to various Artemis missions; the preparation and collection of the body of evidence, and reliability of the computational modeling techniques. This paper serves as an initial analytical overview of IMPACT’s probabilistic risk assessment (PRA) medical risk outputs covering Artemis missions and is not intended to be deemed the official medical response for the Artemis campaign.

Crew Composition↗

NASA NTRS1994

The reflection for dense plant canopies from the one-angle radiative transfer equation

An essential component of remote sensing of vegetation canopies from satellites is fundamental understanding. Since passive remote is driven by photons, the modeling of photon interactions with vegetation is a basic building block in that understanding. Several such photon transport models have been developed during the past two decades and continue to be developed. Different approaches have been followed including monte carlo, radiosity methods, geometric shadowing, and radiative transfer. In general, each approach has application for canopies with specific attributes. This presentation concerns the application of radiative transfer to dense vegetation canopies in which the soil does not participate. The approach taken here is novel in that a consistent theory for photon transport for non-rotationally invariant leaf scattering is developed in a canopy with a general leaf angle distribution (LAD). The theory is limited to the one-angle approximation (azimuthally averaged radiance) and is based on Chandrasekhar's analytical theory. While such a model is admittedly only approximate, it does fulfill a unique function in our search for understanding. In particular, the model is simple in its construct yet contains the essential features of canopy architecture that are mainly responsible for observed responses. Thus, this model will not only be a predictive tool but also an educational one. The mathematical setting is the radiative transfer equation in a dense (semiinfinite) canopy. The leaf scattering phase function is assumed to be Lambertian with different reflectance and transmittance. In addition, abaxial and adaxial differentiation is allowed which effectively destroys optical reciprocity. The analytical solution for the canopy BRDF is obtained by manipulation of the integral transport equation (a la Chandrasekhar) for a general LAD. With discretization of the. leaf angle, the resulting set of integral equations are solved iteratively including an acceleration procedure when the single scatter albedo is near one (in the NIR). Results will be compared to the LARS soybean canopy radiances as well as to broadleaf results from a recent Ames experiment.

Ganapol, B. D.↗

DOE OSTI2024

Integrating multi-modal remote sensing, deep learning, and attention mechanisms for yield prediction in plant breeding experiments

In both plant breeding and crop management, interpretability plays a crucial role in instilling trust in AI-driven approaches and enabling the provision of actionable insights. The primary objective of this research is to explore and evaluate the potential contributions of deep learning network architectures that employ stacked LSTM for end-of-season maize grain yield prediction. A secondary aim is to expand the capabilities of these networks by adapting them to better accommodate and leverage the multi-modality properties of remote sensing data. In this study, a multi-modal deep learning architecture that assimilates inputs from heterogeneous data streams, including high-resolution hyperspectral imagery, LiDAR point clouds, and environmental data, is proposed to forecast maize crop yields. The architecture includes attention mechanisms that assign varying levels of importance to different modalities and temporal features that, reflect the dynamics of plant growth and environmental interactions. The interpretability of the attention weights is investigated in multi-modal networks that seek to both improve predictions and attribute crop yield outcomes to genetic and environmental variables. This approach also contributes to increased interpretability of the model's predictions. The temporal attention weight distributions highlighted relevant factors and critical growth stages that contribute to the predictions. The results of this study affirm that the attention weights are consistent with recognized biological growth stages, thereby substantiating the network's capability to learn biologically interpretable features. Accuracies of the model's predictions of yield ranged from 0.82-0.93 R 2 ref in this genetics-focused study, further highlighting the potential of attention-based models. Further, this research facilitates understanding of how multi-modality remote sensing aligns with the physiological stages of maize. The proposed architecture shows promise in improving predictions and offering interpretable insights into the factors affecting maize crop yields, while demonstrating the impact of data collection by different modalities through the growing season. By identifying relevant factors and critical growth stages, the model's attention weights provide valuable information that can be used in both plant breeding and crop management. The consistency of attention weights with biological growth stages reinforces the potential of deep learning networks in agricultural applications, particularly in leveraging remote sensing data for yield prediction. To the best of our knowledge, this is the first study that investigates the use of hyperspectral and LiDAR UAV time series data for explaining/interpreting plant growth stages within deep learning networks and forecasting plot-level maize grain yield using late fusion modalities with attention mechanisms.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1998

Diurnal Reflectance Changes in Vegetation Observed with AVIRIS

Among the most important short-term dynamic biological processes are diurnal changes in canopy water relations. Plant regulation of water transport through stomatal openings affects other gaseous transport processes, often dramatically decreasing photosynthetic fixation of carbon dioxide during periods of water stress. Water stress reduces stomatal conductance of water vapor through the leaf surface and alters the diurnal timing of stomatal opening. Under non-water stressed conditions, stomates typically open soon after dawn and transpire water vapor throughout the daylight period. During stress periods, stomates may close for part of the day, generally near mid-day. Under prolonged stress conditions, stomatal closure shifts to earlier times during the day; stomates may close by mid-morning and remain closed until the following morning - or remain closed entirely. Under these conditions the relationship between canopy greenness (e.g., measured with a vegetation index or by spectral mixture analysis) and photosynthetic fixation of carbon is lost and the remotely sensed vegetation metric is a poor predictor of gas exchange. Prediction of stomatal regulation and exchange of water and trace gases is critical for ecosystem and climate models to correctly estimate budgets of these gases and understand or predict other processes like gross and net ecosystem primary production. Plant gas exchange has been extensively studied by physiologists at the leaf and whole plant level and by biometeorologists at somewhat larger scales. While these energy driven processes follow a predictable if somewhat asymmetric diurnal cycle dependent on soil water availability and the constraints imposed by the solar energy budget, they are nonetheless difficult to measure at the tree and stand levels using conventional methods. Ecologists have long been interested in the potential of remote sensing for monitoring physiological changes using multi-temporal images. Much of this research has focused on day-to-day changes in water use, especially for agricultural applications. Ustin et al. showed seasonal changes in canopy water content in chaparral shrub could be estimated using optical methods. Vanderbilt et al. followed asymmetric diurnal changes in the reflectance of a walnut orchard, but could not attribute specific reflectance changes to specific changes in canopy architecture or physiology. Forests and shrub lands in California experience prolonged periods of drought, sometimes extending six months without precipitation. The conifer and evergreen chaparral communities common to the foothill region around the central valley of California retain their foliage throughout the summer and have low transpiration rates despite high net radiation and temperature conditions. In contrast, grasslands and drought resistant deciduous species in the same habitat are seasonally dormant in summer. Because of differences in the mechanisms of drought tolerance, rooting depth and physiology between different plant communities in the region, it is likely that they display differences in diurnal water relations. The presence of diverse plant communities provides an opportunity to investigate possible diurnal landscape patterns in water relations that could be observed by an airborne hyperspectral scanner. This investigation of AVIRIS data collected over forest and shrub land represents the continuation of a prior investigation involving spectral mixture analysis of diurnal effects in the same AVIRIS data set.

Vanderbilt, V. C.↗

NASA NTRS2020

Intelligent Contingency Management for Urban Air Mobility

The third aviation revolution is seeking to enable transportation where users have access to immediate and flexible air travel; the users dictate trip origin, destination and timing. One of the major components of this vision is urban air mobility (UAM) for the masses. UAM means a safe and efficient system for vehicles to move passengers and cargo within a city. In order to reach UAM’s full market potential the vehicle will have to be autonomous. One of the primary challenges of autonomous flight is dealing with off-nominal events, both common and unforeseen; thus, intelligent contingency management (ICM) is one of the enabling technologies. In this context, the vehicle has to be aware of its internal state and external environment at all times, ascertain its capability and make decisions about mission completion or modification. All of these functions require data to model and assess the environment and then take actions based on these models. Necessarily, there is uncertainty associated with the data and the models generated from it. Since we are dealing with safety-critical systems, one of the main challenges of ICM is to generate sufficient data and to minimize its uncertainty to enable practical and safe decision making. We propose an overall architecture that incorporates deterministic and learning algorithms together to assess vehicle capabilities, project these into the future and make decisions on mission management level. A layered approach allows for mature parts and technologies to be integrated into early highly automated vehicles before the final state of autonomy is reached.

data-driven systems↗

DOE OSTI2026

Application of artificial intelligence methods in the international roughness index prediction of rigid and composite pavements: a systematic review

The International Roughness Index (IRI) is a widely adopted metric for quantifying pavement roughness, directly influencing vehicle safety, ride comfort, and overall roadway performance. In recent years, the use of Machine Learning (ML) models for IRI prediction has gained momentum, with the goal of improving the allocation of maintenance and rehabilitation resources by enabling accurate assessments of pavement conditions. Most prior reviews, however, have concentrated on flexible pavements, leaving a notable gap regarding rigid and composite pavements. To address this gap, the present study conducts a systematic review of Artificial Intelligence (AI) methods applied to IRI prediction for rigid and composite pavements. Literature published between 2004 and 2025 is synthesized to highlight prevailing trends, methodological contributions, and directions for future research. Particular attention is given to the types of models employed, the datasets used for training and validation, and the role of input variables and data-processing strategies. Across the included studies, ensemble learning methods (especially gradient boosting variants such as XGBoost), artificial neural networks, and hybrid architectures frequently achieved high predictive skill, with several models reporting test-set coefficients of determination approaching 0.9–0.96, indicating strong potential for capturing the influence of traffic, pavement structure, and climatic factors. Since these results are obtained from heterogeneous datasets and evaluation protocols, they are interpreted qualitatively rather than as strict cross-study rankings. Analysis of input variables revealed that pavement age and initial IRI were included in 91% (21 of 23) and 78% (18 of 23) of studies, respectively. Climatic variables such as the freezing index appeared in 57% (13 of 23), while traffic-related factors were considered in 65% (15 of 23). The findings underscore the importance of standardized, high-quality datasets, such as those from the Long-Term Pavement Performance (LTPP) program, along with data consistency, model interpretability, computational efficiency, and replicability in enhancing IRI prediction. Future research should focus on incorporating input variable selection techniques to identify the most influential predictors, thereby improving accuracy and robustness. Integrating these approaches with advanced non-linear data-driven models, coupled with robust hyperparameter optimization, holds considerable promise for strengthening the reliability of IRI prediction and supporting resilient pavement management strategies.

42 ENGINEERING↗

DOE OSTI2026

ToPolyAgent: AI agents for coarse-grained bead-spring topological polymer simulations

We introduce ToPolyAgent, a multi-agent AI framework for performing coarse-grained molecular dynamics (MD) simulations of topological polymers through natural language instructions. By integrating large language models (LLMs) with domain-specific computational tools, ToPolyAgent supports both interactive and autonomous simulation workflows across diverse polymer architectures, including linear, ring, brush, and star polymers, as well as dendrimers. The system consists of four LLM-powered agents: a Config Agent for generating initial polymer–solvent configurations, a Simulation Agent for executing LAMMPS-based MD simulations and conformational analyses, a Report Agent for compiling markdown reports, and a Workflow Agent for streamlined autonomous operations. Interactive mode incorporates user feedback loops for iterative refinements, while autonomous mode enables end-to-end task execution from detailed prompts. We demonstrate ToPolyAgent's versatility through case studies involving diverse polymer architectures under varying solvent conditions, thermostats, and simulation lengths. Furthermore, we highlight its potential as a research assistant by directing it to investigate the effect of interaction parameters on the linear polymer conformation, and the influence of grafting density on the persistence length of the brush polymer. By coupling natural language interfaces with rigorous simulation tools, ToPolyAgent lowers barriers to complex computational workflows and advances AI-driven materials discovery in polymer science. It lays the foundation for autonomous and extensible multi-agent scientific research ecosystems.

Ding, Lijie [Oak Ridge National Laboratory (ORNL),↗

DOE OSTI2026

Ground and excited state gradients with end-to-end differentiable semiempirical quantum chemistry

Accurate and efficient gradients of molecular energy with respect to nuclear degrees of freedom are essential for geometry optimization and molecular dynamics, including simulations that go beyond the Born–Oppenheimer regime. A common approach involves deriving analytical formulas for new electronic structure methods, which is often conceptually difficult and requires tedious coding. Here, we implement analytical, semi-numerical, and automatic differentiation (AD)-based gradient pathways for semiempirical Hamiltonian models in the PYSEQM software package, leveraging both graphics processing unit (GPU) and central processing unit (CPU) architectures. We further extend these capabilities to excited states calculated using the configuration interaction singles and time-dependent Hartree–Fock ansätze. We benchmark wall time, peak memory usage, and accuracy across three molecular families of varying chemical complexity, including systems of up to a thousand atoms. For ground-state simulations, analytical and AD gradients achieve near-identical GPU runtimes, while semi-numerical gradients are slower on GPU but remain competitive on CPU. For excited states, both analytical and custom AD approaches using implicit differentiation show similar performance and low memory requirements, whereas gradients with full AD are memory-limited. AD gradients match analytical ones in accuracy across all tested systems, aided by a quaternion-based diatomic frame rotation for two-center quantities that ensures smooth energy surfaces. Overall, automatic differentiation emerges as a practical alternative to analytical gradients in semiempirical quantum chemistry, offering high accuracy while allowing seamless integration in AI-driven workflows and popular packages, such as PyTorch and JAX. Our results provide actionable guidance for selecting optimal gradient strategies in large-scale ground- and excited-state molecular dynamics simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2005

Rover Sequencing and Visualization Program

The Rover Sequencing and Visualization Program (RSVP) is the software tool for use in the Mars Exploration Rover (MER) mission for planning rover operations and generating command sequences for accomplishing those operations. RSVP combines three-dimensional (3D) visualization for immersive exploration of the operations area, stereoscopic image display for high-resolution examination of the downlinked imagery, and a sophisticated command-sequence editing tool for analysis and completion of the sequences. RSVP is linked with actual flight-code modules for operations rehearsal to provide feedback on the expected behavior of the rover prior to committing to a particular sequence. Playback tools allow for review of both rehearsed rover behavior and downlinked results of actual rover operations. These can be displayed simultaneously for comparison of rehearsed and actual activities for verification. The primary inputs to RSVP are downlink data products from the Operations Storage Server (OSS) and activity plans generated by the science team. The activity plans are high-level goals for the next day s activities. The downlink data products include imagery, terrain models, and telemetered engineering data on rover activities and state. The Rover Sequence Editor (RoSE) component of RSVP performs activity expansion to command sequences, command creation and editing with setting of command parameters, and viewing and management of rover resources. The HyperDrive component of RSVP performs 2D and 3D visualization of the rover s environment, graphical and animated review of rover-predicted and telemetered state, and creation and editing of command sequences related to mobility and Instrument Deployment Device (IDD) operations. Additionally, RoSE and HyperDrive together evaluate command sequences for potential violations of flight and safety rules. The products of RSVP include command sequences for uplink that are stored in the Distributed Object Manager (DOM) and predicted rover state histories stored in the OSS for comparison and validation of downlinked telemetry. The majority of components comprising RSVP utilize the MER command and activity dictionaries to automatically customize the system for MER activities. Thus, RSVP, being highly data driven, may be tailored to other missions with minimal effort. In addition, RSVP uses a distributed, message-passing architecture to allow multitasking, and collaborative visualization and sequence development by scattered team members.

Cooper, Brian↗

NASA NTRSDate not supplied

NASA’s Advance Information Systems Technology (AIST) Program

NASA’s Earth Science Technology Office (ESTO) develops early-stage technologies to enhance scientific understanding. ESTO’s technologies can be reliably and confidently applied to a broad range of science measurements and missions, as well as facilitate practical applications to benefit society at large. As the lead technology office within the Earth Science Division of the NASA Science Mission Directorate, ESTO is focused on the technological challenges inherent to space-based investigations of our planet's dynamic, interrelated systems. Through flexible, science-driven technology strategies and a competitive selection process, ESTO-funded technologies have supported numerous Earth science missions as well as commercial applications. From next generation sensors and instruments to communication and information systems, ESTO technologies enable many NASA missions and data services. The Advanced Information Systems Technology (AIST) Program is one focal area of ESTO. AIST innovates information system technologies that enable the development of new observing systems as well as agile science investigations through data analytics and artificial intelligence tools and algorithms. AIST utilizes an end-to-end development approach with the goal of infusing mature technologies into future missions, measurements, and analysis. One thrust of AIST is data exploitation and analysis using an analytic center framework to make observational data and model output more accessible and usable to scientists conducting specific investigations as well as to extract higher-level science content and information from the data. The framework accelerates scientific discovery by harmonizing the data, tools, and computational resources. NASA’s upcoming Surface, Biology and Geology (SBG) mission is one such mission whose data architecture will leverage many of the technologies developed through the AIST program. This talk will highlight current and future program development goals.

Laura Rogers↗

DOE OSTI2024

A High-level Design for Bidirectional Data Streaming to High-Performance Computing Systems from External Science Facilities

Cutting-edge science is increasingly data-driven due to the emergence of scientific machine learning models that can guide scientists toward fruitful areas of exploration. Experimental science facilities such as light and neutron sources, particle colliders, and radio astronomy telescopes are also producing raw measurement data at rates that exceed available data storage and computing capacity at those facilities. As a result, scientific workflows are being developed that concurrently couple experiments at science facilities with high-performance computing (HPC) facilities to enable analysis of experimental data while the experiment is ongoing, and where analysis results are potentially fed back to the experiment for use in experimental control and/or steering in a time-sensitive manner. Our goal is to design, prototype, and deploy a new capability for the Oak Ridge Leadership Computing Facility (OLCF) that enables such workflows through support for bidirectional, memory-based streaming of data from external experiments into and out of OLCF HPC systems. This high-level design document describes the related work and motivating use cases that inform our understanding of the technical requirements for this capability, and describes a proposed architectural solution that meets these requirements and our plans for demonstrating the capability.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

Extending Component Lifetime And Improving Inverter Reliability (ECLAIIR)

Inverter reliability remains one of the most persistent challenges limiting the performance, availability, and economic viability of utility‑scale photovoltaic (PV) plants. Industry data consistently show that inverters account for the highest share of corrective maintenance events and unplanned outages across PV fleets. These failures result in energy losses, increased O&M costs, and reduced confidence in long‑term solar asset performance. Motivated by these challenges, this project—Extending Component Lifetime and Improving Inverter Reliability (ECLAIIR)—was undertaken to systematically investigate inverter degradation and failure mechanisms, develop predictive maintenance capabilities, and establish data‑driven pathways to improve service life and reduce the Levelized Cost of Energy (LCOE) for large‑scale PV systems. The primary goal of the project was to identify pre‑failure signatures in string inverters using both lab‑based accelerated lifetime testing and field‑based data and to develop predictive maintenance algorithms that can anticipate inverter faults before they occur. Through collaboration with inverter testing laboratory, solar PV plant owner, and failure‑analysis experts, the project advanced the technical understanding of inverter reliability. By instrumenting inverters with thermistors, humidity sensors, power‑quality meters, and acoustic sensors, the research established how multiple sensing modalities can reliably detect deviations from normal behavior hours to days before failure. These findings substantially enhance scientific understanding of inverter failure kinetics and provide the PV industry with the most comprehensive cross‑OEM characterization of early‑stage failure indicators reported to date. Technically, the project demonstrated the effectiveness of predictive maintenance by developing and validating the PreDICT (Predictive Diagnostics of PV Inverters Using Condition Monitoring and Trend Analysis) framework—a multi‑layer diagnostic architecture combining peer‑to‑peer analytics, historical trend modeling, and advanced machine‑learning techniques such as the Sequential Conditional Variational Autoencoder (SCVAE). This predictive model achieved more than 90% accuracy in detecting pre‑failure conditions and provided up to four days of lead time before inverter failure in field scenarios. Economically, the project’s LCOE analysis showed that predictive maintenance can reduce lifetime energy losses and minimize corrective maintenance interventions. Modeling indicated that, depending on inverter failure rates and replacement timelines, predictive maintenance can significantly reduce LCOE impacts associated with inverter downtime: from as high as 19.4% under conventional maintenance strategies to 0.1%–10.17% when predictive analytics are adopted. These results confirm that predictive maintenance is both technically feasible and economically advantageous for utilities and plant operators. The project’s findings also have broad public benefit. By improving inverter reliability and reducing downtime, predictive maintenance directly increases electricity generation from existing PV assets. Enhanced reliability lowers operational costs for utilities, which can translate over time into lower energy costs for consumers. Furthermore, the project’s technical publications, conference presentations, and industry workshops ensure that knowledge gained is shared broadly across the solar industry, supporting workforce development and enabling utilities of all sizes to adopt modern asset‑health monitoring practices. The retrofitting case study and service‑life prediction framework further support informed decision‑making for aging PV fleets, helping operators extend system life and reduce electronic waste. In summary, the ECLAIIR project significantly advanced the state of knowledge on inverter degradation, demonstrated the technical and economic value of predictive maintenance, and delivered actionable tools and insights that support more reliable, cost‑effective, and sustainable PV plant operation. The outcomes of this project will continue to inform utility practices, guide inverter design improvements, and strengthen the long‑term performance of solar assets nationwide.

14 SOLAR ENERGY↗

NASA NTRS1998

An Adaptable Power System with Software Control Algorithm

A low cost, flexible and modular spacecraft power system design was developed in response to a call for an architecture that could accommodate multiple missions in the small to medium load range. Three upcoming satellites will use this design, with one launch date in 1999 and two in the year 2000. The design consists of modular hardware that can be scaled up or down, without additional cost, to suit missions in the 200 to 600 Watt orbital average load range. The design will be applied to satellite orbits that are circular, polar elliptical and a libration point orbit. Mission unique adaptations are accomplished in software and firmware. In designing this advanced, adaptable power system, the major goals were reduction in weight volume and cost. This power system design represents reductions in weight of 78 percent, volume of 86 percent and cost of 65 percent from previous comparable systems. The efforts to miniaturize the electronics without sacrificing performance has created streamlined power electronics with control functions residing in the system microprocessor. The power system design can handle any battery size up to 50 Amp-hour and any battery technology. The three current implementations will use both nickel cadmium and nickel hydrogen batteries ranging in size from 21 to 50 Amp-hours. Multiple batteries can be used by adding another battery module. Any solar cell technology can be used and various array layouts can be incorporated with no change in Power System Electronics (PSE) hardware. Other features of the design are the standardized interfaces between cards and subsystems and immunity to radiation effects up to 30 krad Total Ionizing Dose (TID) and 35 Mev/cm(exp 2)-kg for Single Event Effects (SEE). The control algorithm for the power system resides in a radiation-hardened microprocessor. A table driven software design allows for flexibility in mission specific requirements. By storing critical power system constants in memory, modifying the system code for other programs is simple. These constants can be altered also by ground command, or in response to an anomolous event. All critical power system functions have backup hardware functions to prevent a software or computer glitch from propagating. A number of battery charge control schemes can be implemented by selecting the proper control terms in the code. The architecture allows the design engineer to tune the system response to various system components and anticipated load profiles without costly alterations. A design trade was made with the size, weight and power dissipation of the electronics versus the performance of the power bus to load variations. Linear, fine control is maintained with a streamlined electronics design. This paper describes the hardware design as well as the software control algorithm. The challenges of closing the system control loop digitally is discussed. Control loop margin and power system performance is presented. Lab measurements are shown and compared to the system response of a hardware model running actual flight software.

Castell, Karen↗

DOE OSTI2025

Development of a River Dynamical Core for E3SM to simulate compound flooding on Exascale-class heterogeneous supercomputers

Flooding events pose significant risk to human life, property, and infrastructure. Physically-consistent quantification of altered flood risks in global models requires hyper-resolution (~1 km) or fine flood simulations using two-dimensional (2D) physics schemes, both of which are unavailable in the current generation Earth System Models. Here, in this work, we have developed the River Dynamical Core (RDycore), which is an open-source, 2D shallow water equation (SWE) library for the U.S. Department of Energy's Energy Exascale Earth System Model (E3SM). RDycore uses PETSc and libCEED libraries that allows it to run efficiently on CPUs and GPUs, as well as select a time-integration algorithm at runtime without requiring any code modifications. RDycore achieves spatial error convergence rates for problems with analytical and manufactured solutions similar to those reported previously in the literature, or consistent with the implemented first-order spatial discretization scheme. RDycore's accuracy in predicting flooding for a well-studied dam break problem is comparable to existing SWE models. For a problem with 471 million grid cells, RDycore achieves a speedup of 6.6x and 7.6x on GPUs compared to CPUs when using 320 compute nodes on DOE's Perlmutter and Frontier supercomputers, respectively. The one-way coupling of the RDycore library within E3SM is demonstrated by performing multiple 5-day flooding simulations during Hurricane Harvey driven by five precipitation datasets. The E3SM--RDycore simulations at 30 m spatial resolution accurately simulate maximum water height during the hurricane when benchmarked against a previously published study and achieve a speedup of 15x (Perlmutter) and 21x (Frontier) on GPUs relative to CPUs. The work presented here is the foundational step in providing hardware and algorithmic portability framework for simulating kilometer-scale river dynamics within E3SM.

Flood Simulation↗

DOE OSTI2026

Artificial Intelligence for Event Reconstruction and Higgs Physics at CMS and Future Colliders

This dissertation charts a trajectory in which advances in artificial intelligence (AI) play a central role in pushing the high-energy physics frontier, complementing progress driven by higher collision energies and larger colliders. The discovery potential of the LHC and future colliders relies on accurate reconstruction of increasingly complex particle collision events. In the CMS experiment, this task is performed by the particle-flow (PF) algorithm. This dissertation presents the first implementation of a machine-learning-based particle-flow (MLPF) reconstruction in the CMS detector based on transformer architectures. In simulated top quark--antiquark pair (ttbar) events under LHC Run~3 (2023--2024) conditions, MLPF improves jet energy resolution by 10--20\% compared to standard PF for jets with transverse momentum between 30--100\GeV. Runtime performance is evaluated using simulated multijet events, with a median inference time of 20\unit{ms} per event on an NVIDIA L4 GPU, compa red to approximately 110\unit{ms} for standard PF. The MLPF algorithm is also validated on Run~3 collision data, representing the first data-validated ML-based reconstruction pipeline at any LHC experiment. We then extend MLPF toward future electron--positron colliders and introduce the first full-simulation cross-detector transfer learning workflow for PF reconstruction. The model is pre-trained on simulated events from the Compact Linear Collider detector (CLICdet) and fine-tuned on the CLIC-like detector (CLD) proposed for the Future Circular Collider (FCC). This approach achieves up to a 40\% improvement in jet energy resolution over rule-based reconstruction while reducing the required training dataset size by an order of magnitude, demonstrating the potential of AI to accelerate detector development and optimization. This dissertation also demonstrates how modern AI techniques enhance the sensitivity of LHC physics analyses. A CMS search for highly Lorentz-boosted Higgs bosons decaying to \textrm{W} boson pairs is presented, focusing on the single-lepton final state. A dedicated fine-tuning strategy for \ParT yields an approximately 70\% increase in expected sensitivity relative to the baseline model. The analysis uses proton--proton collision data at a center-of-mass energy of \ensuremath{\sqrt{s}=13\TeV} collected by CMS between 2016 and 2018, corresponding to an integrated luminosity of 138\ensuremath{\ \mathrm{fb}^{-1}}. The expected significance of the search is $1.86\sigma$, with an observed signal strength of $-0.19^{+0.48}_{-0.46}$. Finally, explainable AI techniques are applied to the MLPF and \ParticleNet algorithms using layerwise relevance propagation, showing that both models base their predictions on physically meaningful features consistent with our physics intuition. Together, these results demonstrate how advanced AI methods can enhance reconstruction, analysis sensitivity, and interpretability, shaping the next era of experimental parti cle physics.

Mokhtar, Farouk [UC, San Diego]↗

DOE OSTI2025

Interface Nucleus Templating of Modular Intermetallic Morphologies: Chemical Pressure Complementarity, Columnar Domains, and Complex Disorder in Y 13 Ag 42.7 Zn 29.7

One element of the diversity of intermetallic phases is the formation of complex structures from the assembly of fragments of simpler structures. Recently, we devised the Interface Nuclear Approach as a model for understanding such modular arrangements, in which the intergrowth of different structures is driven by chemical pressure (CP) relief at shared motifs at the domain interfaces, referred to as interface nuclei. In this Article, we present the synthesis, crystal structure, and CP analysis of a new compound that expands on this theme, Y 13 Ag 42.7 Zn 29.7 . Its hexagonal structure contains interpenetrating domains based on the CaPd 5+x and EuMg 5 types. The CaPd 5+x -based regions are reminiscent of the lamellar intergrowth structures previously observed in the Y−Ag−Zn system. In Y 13 Ag 42.7 Zn 29.7 , however, the domains have a different morphology, forming columns that adopt a hexagonal rod-packing. The geometrical features of the remaining spaces are assigned, using the program GrowDomain, to the cores of trigonal units of the EuMg 5 type, while layers of disordered atoms occur at heights along z where the parent structures are mismatched. At the CaPd 5+x -type/EuMg 5 -type interfaces, simple interface nucleus motifs with strong CP-complementarity can be identified, while their distribution within the parent structures supports the notion of templated architectures in modular intermetallics.

Chemical structure↗

DOE OSTI2024

Machine Learning for Joint Quality Control

The use of lightweight material combinations has been highly demanded in manufacturing automotive structures. However, making robust dissimilar material joints of such lightweight materials is still challenging. A significant barrier to achieving high-quality and repeatable joint performance is a deficient understanding of the relationship between the welding process, joint attributes, and joint performance. In this context, welding factors refer to material, equipment, environment, and process parameters, while joint features comprise specific microstructural attributes of the weld such as nugget size, heat affected zone (HAZ) topology, intermetallic layer thickness, and sheet thickness reduction. Joint performance is quantified in terms of strength (e.g., tensile shear, coach peel, cross-tension), weld size, and hardness, among other factors. While there have been many attempts to establish this process-structure-property relationship by developing a model derived from the associated physics and first principles, the complexity of the joining processes compounded by the complex interactions with different materials in an automotive assembly line environment, has hindered the usefulness of such attempts. The complexity is further exacerbated using different stacking materials, especially comprising dissimilar material combinations. In practice, the common approach has been the laborious process of creating welds, characterizing them, and then physically testing them through experimentation. With the emergence of artificial intelligence (AI) methods, an alternative pathway to eliciting the desired process-structure-property relationship at an accelerated pace is to use a data-driven approach by employing machine-learning (ML) techniques. This approach is benefitted by the availability of large streams of data, generated through years of research and testing by original equipment manufacturers, in the form of material, process, environmental, equipment, microstructural, and bulk-scale performance information from multimodal, multiscale sensors making measurements from laboratory-scale to production-scale processes. During Phase I efforts, which ended in fiscal year (FY) 2021, the Oak Ridge National Laboratory and Pacific Northwest National Laboratory (ORNL/PNNL) team demonstrated the effectiveness of different ML/AI frameworks in modeling complex relationships between resistance spot welding (RSW) process parameters, weld attributes, and joint properties using a subset of data from General Motors (GM). In FY 2022, the project team further refined and expanded their respective ML models to analyze additional welds with new weld stack-ups and materials to enhance the ML model predictive capability. ORNL extended its unified deep neural networks (DNN) ML training and prediction framework with new data streams of process parameters, and PNNL extended its model describing RSW process parameters’ associations with weld attributes. In FY 2023, the project team completed the development of the AI/ML architecture for analyzing aluminum/steel joints manufactured by GM via RSW and transitioned into the inline welding quality monitoring task for steel/steel RSW joints provided by GM.

36 MATERIALS SCIENCE↗