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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.

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At least 181 records · Page 10

Driving Next-Generation Workflows from the Data Plane

We observe the emergence of a new generation of scientific workflows that process data produced at a sustained rate by scientific instruments and large scale numerical simulations. This data is consumed by multiple analysis, visualization, or Machine Learning components not only to enable inference and justify the scientific program, but also to monitor and steer the evolution of these experiments. In such workflows, moving intermediate data efficiently is key to performance, more than efficiently scheduling computational tasks. However, most traditional workflow management systems focus on optimizing task scheduling and then deal with data management, assuming a “move little, compute for long” model, which makes them unfit to the efficient management of this new generation of workflows. Therefore, we advocate for a new way to manage scientific workflows. We propose to consider an efficiently and independently managed data plane that can store and stream data. Workflows compute components, in the application plane can then interact with the data plane, abstracted from complexities of data management. Then, the role of a workflow management system would become that of a control plane that allows users to connect services together to execute the workflow and manages connections between the application and data planes. In this position paper, we characterize several next-generation workflow motifs and describe how their interaction with the data plane is a challenge to traditional workflow management systems. Then, we express a set of requirements that a workflow management system should meet to efficiently manage next-generation workflows at different scales. Based on these requirements, we expose our vision of driving next-generation workflows from the data plane and list remaining open challenges.

Suter, Fred↗

RingX: Scalable Parallel Attention for Long-Context Learning on HPC

The attention mechanism has become foundational for remarkable AI breakthroughs since the introduction of the Transformer, driving the demand for increasingly longer context to power frontier models such as large-scale reasoning language models and high-resolution image/video generators. However, its quadratic computational and memory complexities present substantial challenges. Current state-of-the-art parallel attention methods, such as ring attention, are widely adopted for long-context training but utilize a point-to-point communication strategy that fails to fully exploit the capabilities of modern HPC network architectures. In this work, we propose ringX, a scalable family of parallel attention methods optimized explicitly for HPC systems. By enhancing workload partitioning, refining communication patterns, and improving load balancing, ringX achieves up to 3.4 × speedup compared to conventional ring attention on the Frontier supercomputer. Optimized for both bi-directional and causal attention mechanisms, ringX demonstrates its effectiveness through training benchmarks of a Vision Transformer (ViT) on a climate dataset and a Generative Pre-Trained Transformer (GPT) model, Llama3 8B. Our method attains an end-to-end training speedup of approximately 1.5 × in both scenarios. To our knowledge, the achieved 38% model FLOPs utilization (MFU) for training Llama3 8B with a 1M-token sequence length on 4,096 GPUs represents one of the highest training efficiencies reported for long-context learning on HPC systems. Our code implementation is available at https://github.com/jqyin/ringX-attention.

Yin, Junqi [ORNL] (ORCID:0000000338435520)↗

A Multi-Sensor Approach for Measuring Bird and Bat Collisions with Offshore Wind Turbines (Final Technical Report)

Collision of birds and bats with wind turbines is a conservation concern for both land-based and offshore wind projects. The fatality rates of birds and bats at land-based turbines are well documented. The measurement strategies on land focus on finding carcasses following collision, estimating the number of carcasses missed through searcher efficiency, carcass persistence trials and carcass fall distributions, and modeling statistically robust fatality rates. Few technologies have been developed to monitor offshore bird and bat collisions, and many that have been developed focused on detecting collisions with large birds. The few studies that have attempted to document collisions at offshore turbines do not account for smaller bodied animals or for collisions that might be missed, which prevents the calculation of statistically robust fatality rates. The overall goal of this report, A Multi-Sensor Approach for Measuring Bird and Bat Collisions with Offshore Wind Turbines (Project), was to develop an effective multi-sensor system for quantifying bird and bat collision rates, specifically for offshore wind facilities. The Project goal and resulting automated collision detection system was achieved through two major technological advancements: 1) refining The Netherlands Organisation for Applied Scientific Research’s (TNO’s) existing WT-Bird® vibration sensing system, that had successfully detected large bird collisions during daytime, to allow for improved detection of smaller birds and bats during both daytime and nighttime hours and 2) improving image processing systems and developing and integrating machine learning algorithms to automatically detect and classify small and large bird and bat collisions with offshore turbines. This final technical report (FTR) summarizes Methods , Results , Conclusions , and Lessons Learned during each of the five Tasks identified for this research and development effort. This FTR includes summaries of the following: Task 1. Initial Engineering Tests to Improve WT-Bird® Task 2. Installation of WT‐Bird® on a Utility-scale Turbine at the National Wind Technology Center – National Renewable Energy Laboratory Task 3. Field Tests and Refinement of the Object Detection System Task 4. Validation of WT-Bird® on a Land-based Turbine Task 5. Preparation for the Implementation of WT-Bird® on an Offshore Turbine. This research and development effort documented successful improvement of the WT Bird® collision detection system to detect small birds and bats, and WT-Bird® is the first collision detection system to validate results compared to land-based post-construction monitoring. The collision trials provide estimates of missed targets that can be used to estimate fatality rates, a significant improvement relative to other offshore collision monitoring systems. Advances were made in developing an edge-processing solution to reduce data storage requirements, which is important if the system is deployed for long periods of time at offshore turbines. The improved WT-Bird® system also provides an important option for wind operators on land or offshore who need to document specific details about when collisions occur, particularly efforts to further research on bat impact minimization, or when standard fatality searches are impractical (e.g. offshore) or inadequate (e.g. challenging locations on land).

17 WIND ENERGY↗

Thermal transport in defective and disordered materials

With significant recent advancements in thermal sciences—such as the development of new theoretical and experimental techniques, and the discovery of new transport mechanisms—it is helpful to revisit the fundamentals of vibrational heat conduction to formulate an updated and informed physical understanding. The increasing maturity of simulation and modeling methods sparks the desire to leverage these techniques to rapidly improve and develop technology through digital engineering and multi-scale, electro-thermal models. With that vision in mind, this review attempts to build a holistic understanding of thermal transport by focusing on the often unaddressed relationships between subfields, which can be critical for multi-scale modeling approaches. For example, we outline the relationship between mode-specific (computational) and spectral (analytical) models. We relate thermal boundary resistance models based on perturbation approaches and classic transmissivity based models. We discuss the relationship between lattice dynamics and molecular dynamics approaches along with two-channel transport frameworks that have emerged recently and that connect crystal-like and amorphous-like heat conduction. Throughout, we discuss best practices for modeling experimental data and outline how these models can guide material-level and system-level design.

42 ENGINEERING↗

Capturing dynamical correlations using implicit neural representations

Abstract Understanding the nature and origin of collective excitations in materials is of fundamental importance for unraveling the underlying physics of a many-body system. Excitation spectra are usually obtained by measuring the dynamical structure factor, S ( Q , ω ), using inelastic neutron or x-ray scattering techniques and are analyzed by comparing the experimental results against calculated predictions. We introduce a data-driven analysis tool which leverages ‘neural implicit representations’ that are specifically tailored for handling spectrographic measurements and are able to efficiently obtain unknown parameters from experimental data via automatic differentiation. In this work, we employ linear spin wave theory simulations to train a machine learning platform, enabling precise exchange parameter extraction from inelastic neutron scattering data on the square-lattice spin-1 antiferromagnet La 2 NiO 4 , showcasing a viable pathway towards automatic refinement of advanced models for ordered magnetic systems.

36 MATERIALS SCIENCE↗

National Smart Manufacturing Strategic Plan: To Facilitate More Rapid Development, Deployment and Adoption of Smart Manufacturing Technologies

Smart manufacturing technologies provide real-time data and insight to improve the productivity, efficiency, and competitiveness of U.S. manufacturing, creating the potential for new jobs in the manufacturing sector. These technologies can support U.S. manufacturers’ ability to increase throughput and energy efficiency, and decrease waste, defects, and costs. A wide range of manufacturing and industrial subsectors, particularly energy-intensive and energy-dependent industries, have the potential to benefit from smart manufacturing technologies. There are technical improvements still needed to reduce the costs and barriers (trained workforce and upskilling, software-hardware integration, cost, and technical barriers to deployment of advanced sensors, computing, and communication technologies for existing manufacturing assets) to the adoption of smart manufacturing technologies, especially to small and medium-sized manufacturers, and subsequently, increase the overall adoption rate of smart manufacturing technologies. This report outlines the Department of Energy’s (DOE) strategic plan to accelerate the development and implementation of smart manufacturing technologies in the United States and the actions DOE has taken to use these technologies in smart manufacturing for the United States. DOE’s plan to facilitate more rapid development, deployment and widespread adoption of smart manufacturing technologies derive from the 2018 Strategy for American Leadership in Advanced Manufacturing. The strategy outlines a vision for America’s leadership in advanced manufacturing including the development of intelligent manufacturing systems to optimize manufacturing facilities and support the manufacturing of transformative materials. DOE’s Clean Energy Smart Manufacturing Innovation Institute (CESMII), a Manufacturing USA Institute, focuses on accelerating the development and adoption of advanced sensors, controls, platforms, and models needed for smart manufacturing. The objective is to enhance U.S. manufacturing productivity and global competitiveness through the research and development of these technologies. Smart manufacturing has the potential to improve the overall performance, energy productivity, and efficiency of manufacturing, fostering the economic competitiveness of the manufacturing sector.

99 GENERAL AND MISCELLANEOUS↗

Toward a Resilient Cybersecure Hydropower Fleet: Cybersecurity Landscape and Roadmap 2021

With this roadmap, Pacific Northwest National Laboratory (PNNL) hopes to assist the U.S. Department of Energy’s (DOE’s) Water Power Technologies Office (WPTO) in improving the cybersecurity of hydropower plants across the nation. This effort draws upon collected data from the dams sector, from industrial control system cybersecurity threat reports, from similar work focused on neighboring sectors, and from frank discussions with owners, operators, and vendors. While remaining tightly focused on the needs of hydropower projects, during this landscape study and development of the resulting roadmap, the research team sought to remain informed by the larger energy sector’s vision and direction so that the topics and milestones may fit within a larger vision common to the whole.

13 HYDRO ENERGY↗

Software-Defined Network for End-to-end Networked Science at the Exascale

Domain science applications and workflow processes are currently forced to view the network as an opaque infrastructure into which they inject data and hope that it emerges at the destination with an acceptable Quality of Experience. There is little ability for applications to interact with the network to exchange information, negotiate performance parameters, discover expected performance metrics, or receive status/troubleshooting information in real time. The work we presen here is motivated by a vision for a new smart network and smart application ecosystem that will provide a more deterministic and interactive environment for domain science workflows. The Software-Defined Network for End-to-end Networked Science at Exascale (SENSE) system includes a model-based architecture, implementation, and deployment which enables automated end-to-end network service instantiation across administrative domains. An intent based interface allows applications to express their high-level service requirements, an intelligent orchestrator and resource control systems allow for custom tailoring of scalability and real-time responsiveness based on individual application and infrastructure operator requirements. This allows the science applications to manage the network as a first-class schedulable resource as is the current practice for instruments, compute, and storage systems. Deployment and experiments on production networks and testbeds have validated SENSE functions and performance. Emulation based testing verified the scalability needed to support research and education infrastructures. Key contributions of this work include an architecture definition, reference implementation, and deployment. This provides the basis for further innovation of smart network services to accelerate scientific discovery in the era of big data, cloud computing, machine learning and artificial intelligence.

97 MATHEMATICS AND COMPUTING↗

Software-defined network for end-to-end networked science at the exascale

Domain science applications and workflow processes are currently forced to view the network as an opaque infrastructure into which they inject data and hope that it emerges at the destination with an acceptable Quality of Experience. There is little ability for applications to interact with the network to exchange information, negotiate performance parameters, discover expected performance metrics, or receive status/troubleshooting information in real time. The work presented here is motivated by a vision for a new smart network and smart application ecosystem that will provide a more deterministic and interactive environment for domain science workflows. The Software-Defined Network for End-to-end Networked Science at Exascale (SENSE) system includes a model-based architecture, implementation, and deployment which enables automated end- to-end network service instantiation across administrative domains. An intent based interface allows applications to express their high-level service requirements, an intelligent orchestrator and resource control systems allow for custom tailoring of scalability and real-time responsiveness based on individual application and infrastructure operator requirements. This allows the science applications to manage the network as a first-class schedulable resource as is the current practice for instruments, compute, and storage systems. Deployment and experiments on production networks and testbeds have validated SENSE functions and performance. Emulation based testing verified the scalability needed to support research and education infrastructures. Key contributions of this work include an architecture definition, reference implementation, and deployment. This provides the basis for further innovation of smart network services to accelerate scientific discovery in the era of big data, cloud computing, machine learning and artificial intelligence.

47 OTHER INSTRUMENTATION↗

One thousand soils for molecular understanding of belowground carbon cycling

While significant progress has been made in understanding global carbon (C) cycling, the mechanisms regulating belowground C fluxes and storage are still uncertain. New molecular technologies have the power to elucidate these processes, yet we have no widespread standardized implementation of molecular techniques. To address this gap, we introduce the Molecular Observation Network (MONet), a decadal vision from the Environmental Molecular Sciences Laboratory (EMSL), to develop a national network for understanding the molecular composition, physical structure, and hydraulic and biological properties of soil and water. These data are essential for advancing the next generation of multiscale Earth systems models. In this paper, we discuss the 1000 Soils Pilot for MONet, including a description of standardized sampling materials and protocols and a use case to highlight the utility of molecular-level and microstructural measurements for assessing the impacts of wildfire on soil. While the 1000 Soils Pilot generated a plethora of data, we focus on assessments of soil organic matter (SOM) chemistry via Fourier-transform ion cyclotron resonance-mass spectrometry and microstructural properties via X-ray computed tomography to highlight the effects of recent fire history in forested ecosystems on belowground C cycling. We observed decreases in soil respiration, microbial biomass, and potential enzyme activity in soils with high frequency burns. Additionally, the nominal oxidation state of carbon in SOM increased with burn frequency in surface soils. This results in a quantifiable shift in the molecular signature of SOM and shows that wildfire may result in oxidation of SOM and structural changes to soil pore networks that persist into deeper soils.

54 ENVIRONMENTAL SCIENCES↗

Transformer Neural Networks with Spatiotemporal Attention for Predictive Control and Optimization of Industrial Processes

In the context of real-time optimization and model predictive control of industrial systems, machine learning, and neural networks represent cutting-edge tools that hold promise for enhancing dynamic modeling. This work presents a novel transformer neural network architecture for real-time optimization and model predictive control. This network design includes a modified attention mechanism inspired by positional embedding attention from vision transformers and task-specific modifications to the input-output structure of the transformer’s decoder stack. Experiments were conducted using data from a 450 MW coal-fired power plant to evaluate this approach's effectiveness. The transformer neural network was compared with conventional recurrent models, including GRU and LSTM. The transformer exhibited a 6% increase in the R-squared (R2) value of predictions and an 83% reduction in mean squared error (MSE). Computation time was also reduced by 84% compared to conventional recurrent models.

Gallup, Ethan R.↗

A multiscale model of immune surveillance in micrometastases gives insights on cancer patient digital twins

Abstract Metastasis is the leading cause of death in patients with cancer, driving considerable scientific and clinical interest in immunosurveillance of micrometastases. We investigated this process by creating a multiscale mathematical model to study the interactions between the immune system and the progression of micrometastases in general epithelial tissue. We analyzed the parameter space of the model using high-throughput computing resources to generate over 100,000 virtual patient trajectories. We demonstrated that the model could recapitulate a wide variety of virtual patient trajectories, including uncontrolled growth, partial response, and complete immune response to tumor growth. We classified the virtual patients and identified key patient parameters with the greatest effect on the simulated immunosurveillance. We highlight the lessons derived from this analysis and their impact on the nascent field of cancer patient digital twins (CPDTs). While CPDTs could enable clinicians to systematically dissect the complexity of cancer in each individual patient and inform treatment choices, our work shows that key challenges remain before we can reach this vision. In particular, we show that there remain considerable uncertainties in immune responses, unreliable patient stratification, and unpredictable personalized treatment. Nonetheless, we also show that in spite of these challenges, patient-specific models suggest strategies to increase control of clinically undetectable micrometastases even without complete parameter certainty.

Mathematical & Computational Biology↗

Two-Stage Wildlife Event Classification for Edge Deployment

Camera-based wildlife monitoring is often overwhelmed by non-target triggers and slowed by manual review or cloud-dependent inference, which can prevent timely intervention for high stakes human–wildlife conflicts. Our key contribution is a deployable, fully offline edge vision sensor that achieves near-real-time, highly accurate wildlife event classification by combining detector-based empty-image suppression with a lightweight classifier trained with a staged transfer-learning curriculum. Specifically, Stage 1 uses a pretrained You Only Look Once (YOLO)-family detector for permissive animal localization and empty-trigger suppression, and Stage 2 uses a lightweight EfficientNet-based binary classifier to confirm puma on detector crops and gate downstream actions. Our design is robust to low-quality nighttime monochrome imagery (motion blur, low contrast, illumination artifacts, and partial-body captures) and operates using commercially available components in connectivity-limited settings. In field deployments running since May 2025, end-to-end latency from camera trigger to action command is approximately 4 s. Ablation studies using a dataset of labeled wildlife images (pumas, not pumas) show that the two-stage approach substantially reduces false alarms in identifying pumas relative to a full-image classifier while maintaining high recall. On the held-out test set (N = 1434 events), the proposed two-stage cascade achieves precision 0.983, recall 0.975, F1 0.979, accuracy 0.986, and balanced accuracy 0.983, with only 8 false positives and 12 false negatives. The system can be easily adapted for other species, as demonstrated by rapid retraining of the second stage to classify ringtails. Downstream responses (e.g., notifications and optional audio/light outputs) provide flexible actuation capabilities that can be configured to support intervention.

58 GEOSCIENCES↗

High-Throughput Field Plant Phenotyping: A Self-Supervised Sequential CNN Method to Segment Overlapping Plants

High-throughput plant phenotyping—the use of imaging and remote sensing to record plant growth dynamics—is becoming more widely used. The first step in this process is typically plant segmentation, which requires a well-labeled training dataset to enable accurate segmentation of overlapping plants. However, preparing such training data is both time and labor intensive. To solve this problem, we propose a plant image processing pipeline using a self-supervised sequential convolutional neural network method for in-field phenotyping systems. This first step uses plant pixels from greenhouse images to segment nonoverlapping in-field plants in an early growth stage and then applies the segmentation results from those early-stage images as training data for the separation of plants at later growth stages. The proposed pipeline is efficient and self-supervising in the sense that no human-labeled data are needed. We then combine this approach with functional principal components analysis to reveal the relationship between the growth dynamics of plants and genotypes. We show that the proposed pipeline can accurately separate the pixels of foreground plants and estimate their heights when foreground and background plants overlap and can thus be used to efficiently assess the impact of treatments and genotypes on plant growth in a field environment by computer vision techniques. This approach should be useful for answering important scientific questions in the area of high-throughput phenotyping.

59 BASIC BIOLOGICAL SCIENCES↗

Influence of geochemical reactions on the creep behavior of Mt. Simon sandstone

The capture and subsurface storage of carbon dioxide is a sustainable option that is currently pursued worldwide to mitigate greenhouse gas effect. However, predicting the long-term mechanical integrity of CO 2 underground storage systems remains a challenge. To address that question, it is essential to understand the influence of fluid-rock chemo-mechanical interactions on the long-term and on the time-dependent mechanical properties. In turn, the long-term mechanical response and the time-dependent mechanical behavior can be represented by the creep response. We investigate the impact of CO 2 -induced geochemical reaction on the creep response of Mt. Simon sandstone with a 50–400 micron grain size. We perform static and dynamic flow experiments on Mt. Simon sandstone specimens under geological conditions, at a temperature of T = 50 - 53 °C and for CO 2 pressures of P = 8:62; 17:2 MPa under both static flow and dynamic flow-through conditions. After aging, we employ creep indentation testing, high-resolution SEM-EDS, computer vision, machine learning, and micromechanics modeling to probe changes on the microstructure and mechanical properties. Following both static and dynamic flow-through experiments, we observe a 10–22% decrease in quartz volume fraction and an increase in both the microporosity (7–28%) and nanoporosity (60–65%). Additional CO 2 -induced microstructural changes include an enlargement of pore throats and the formation of channels. These observations point to the presence of CO 2 -induced K-feldspar dissolution and clay dissolution reactions. Here, the macroscopic creep behavior is logarithmic and the macroscopic creep modulus varies depending on the microporosity and the relative quartz and feldspar content. As a result of these geochemical reactions and of the related microstructural changes, a 55-60% decrease in the macroscopic logarithmic creep modulus is predicted.

58 GEOSCIENCES↗

Large‐Scale 2D Perovskite Nanocrystals Photodetector Array via Ultrasonic Spray Synthesis

Abstract 2D perovskite (PVSK) single crystals have received significant attention due to their unique optical and optoelectronic properties. However, current synthesis methods face limitations, particularly in large‐area fabrication, which remain critical barriers to practical applications. In this study, the synthesis of red/green/purple‐blue‐colored 2D PVSK nanocrystals over a large area (4‐inch wafer) and the fabrication of high‐performance photodetector arrays are presented via a facile yet efficient spray‐coating approach with a liquid‐bridge transport effect. The photodetector array achieves 100% working yield, high photo‐responsivity (1.5 × 10 6 A W −1 ) and specific‐detectivity (1.1 × 10 16 Jones) with competitive photomapping characteristics. An intelligent vision system for automatic shape recognition is further demonstrated with a recognition rate exceeding 90%. This study provides significant advances in the scalable synthesis of nanoscale 2D PVSK crystals, their integration into large‐area optoelectronic devices, and their potential use in artificial‐intelligence systems.

Lee, Yoon Ho [Davidson School of Chemical Engineer↗

Integrated System Planning: Emerging Software Requirements in the Power Industry

Power system planning software remains fragmented across organizational boundaries, with specialized tools for capacity expansion, production cost modeling, power flow, and dynamic analysis operating on incompatible data models and assumptions. This article argues that the fragmentation is not merely a technical problem but a predictable consequence of Conway's law: software architectures mirror the departmental structures within which they are developed. Regulatory milestones like Federal Energy Regulatory Commission (FERC) Order 888 formalized these divisions, but the roots trace back to the distinct engineering disciplines-mechanical, chemical, and electrical-that staffed generation and transmission planning departments in vertically integrated utilities. As the industry moves toward integrated system planning (ISP) that coordinates generation, transmission, and distribution investment decisions, the software ecosystem must evolve accordingly. We identify five categories of software requirements to enable this transition: coherent data inputs decoupled from individual applications, unified and extensible data schemas, modular component representations that support multiple abstraction levels, lifecycle management of planning datasets, and well-defined application programming interface (API) contracts that separate data exchange from algorithmic control. We examine how these requirements interact with three common workflow patterns-serial gate clearing, sequential multiapplication, and convergence oriented-and discuss the interface design principles each demands. We then outline a vision for platform-based planning architectures where specialized analytical services compose through standardized interfaces and where artificial intelligence (AI)/machine learning (ML) tools augment decision support within a disciplined software infrastructure. The practices proposed here offer a path from today's siloed tool collections toward collaborative planning ecosystems capable of handling the complexity of modern power system transformation.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Spinning metasurface stack for spectro-polarimetric thermal imaging

Spectro-polarimetric imaging in the long-wave infrared (LWIR) region plays a crucial role in applications from night vision and machine perception to trace gas sensing and thermography. However, the current generation of spectro-polarimetric LWIR imagers suffers from limitations in size, spectral resolution, and field of view (FOV). While meta-optics-based strategies for spectro-polarimetric imaging have been explored in the visible spectrum, their potential for thermal imaging remains largely unexplored. In this work, we introduce an approach for spectro-polarimetric decomposition by combining large-area stacked meta-optical devices with advanced computational imaging algorithms. The co-design of a stack of spinning dispersive metasurfaces along with compressive sensing and dictionary learning algorithms allows simultaneous spectral and polarimetric resolution without the need for bulky filter wheels or interferometers. Our spinning-metasurface-based spectro-polarimetric stack is compact (<10×10×10cm) and robust, and it offers a wide field of view (20.5°). We show that the spectral resolving power of our system substantially enhances performance in machine learning tasks such as material classification, a challenge for conventional panchromatic thermal cameras. Our approach represents a significant advance in the field of thermal imaging for a wide range of applications including heat-assisted detection and ranging (HADAR).

Optics↗