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At least 325 records · Page 18

Computational Design of Alloys for Energy Technologies

Advanced materials that maintain their mechanical performance under elevated temperatures, corrosive environments, and a range of static and evolving stresses are needed to improve the efficiency and reduce the environmental impact of a wide spectrum of energy technologies. For instance, cost-efficient alloys that can withstand high temperatures (e.g., 700 °C) have a critical role in improving the efficiency and economics of power generation to support decarbonization of the energy sector; such is true of both the nuclear and fossil energy sectors. Considering both the threats of the energy crisis, namely soaring costs of greenhouse gas emission-producing energy and climate change, it is essential to increase the pace of material discovery and enable rapid paths for material qualification to advance clean energy technologies. Conventionally, alloy development has followed a slow Edisonian process that uses repeated cycles of making, characterizing, and modifying to arrive at optimum composition and processing conditions to achieve the desired component performance. This optimization is followed by the necessary stepwise materials qualification. Furthermore, the increasing adoption of sound data management and physics-informed machine learning represents the next step in the acceleration of materials design and development. In the integrated computational materials engineering (ICME) approach, computational modeling and simulation data from different length and time scales can be combined with complex microstructural details from multimodal experimental characterization and selective property testing to close the design loop for rapid alloy development.

Computational Design Of Materials↗

Performance and transport in the ARC tokamak

The ARC TM tokamak, a high-field (𝐵 𝑇 = 11.4 T) fusion power plant, under development by Commonwealth Fusion Systems, is studied using a suite of integrated modelling tools to predict its fusion power generation (𝑃𝑓⁡𝑢⁢𝑠), transport and confinement properties. Analysis is based off an ARC operational point scoped first with zero-dimensional (0-D) plasma operational contour (POPCON) modelling to produce 1.13 GW of fusion power. A suite of integrated modelling tools (TRANSP, ASTRA and TORAX) were applied to predict the performance and kinetic profiles of the ARC design point, yielding a range of predicted performance spanning from ∼900 to 1300 MW in rough quantitative agreement with POPCON predictions. The sensitivity of these results to uncertain modelling inputs was probed using scans of pedestal boundary conditions around EPED-predicted values (total pressure and temperature ratios), tungsten concentration and seperatrix density around their nominal assumptions. Pedestal pressure and pedestal top (𝑇 𝑖 /𝑇 𝑒 ) play a large role in 1.5-dimensional performance predictions, able to modify the predicted 𝑃 𝑓⁡𝑢⁢𝑠 by a factor of 2 within reasonable assumptions. High-fidelity core nonlinear gyrokinetic profile predictions, performed using CGYRO (Candy et al. 2016 J. Comput. Phys., vol. 324, pp. 73–93) coupled with the PORTALS (Rodriguez-Fernandez et al. 2024 Nucl. Fusion, vol. 64, 076034; Phys. Plasmas, vol. 31, 2024, 062501) framework, yield substantially lower performance (𝑃 𝑓⁡𝑢⁢𝑠 =677 MW) compared with 0-D and medium-fidelity modelling for nominal assumptions, showing that there is non-negligible uncertainty between models and that future work on SPARC may help resolve discrepancies. Lower overall performance results from significantly reduced volume-averaged densities and temperatures, along with reduced levels of density and temperature peaking. Turbulence and transport are largely dominated by ion temperature gradient across the profile, confirmed by both linear stability and the response of the nonlinear fluxes to changes in gradients, with some impact of kinetic ballooning modes in the deep core. This work represents one of the most complete scoping of potential fusion power plant conditions performed to date. The extensive integrated modelling provides confidence in ARC performance approaching 1 GW, while nonlinear gyrokinetic modelling results in open questions into the physics of density and temperature peaking in fusion-power-plant-relevant operational space. A discussion of results and the role that the SPARC tokamak (Creely et al. 2020 J. Plasma Phys., vol. 86, 865860502) will play in informing ARC design, performance and operation is presented.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

About the Complex Natural and Engineered Systems Pillar

Los Alamos National Laboratory is a world leader in applying multi-disciplinary science to complex systems within the Complex Natural and Engineered Systems (CNES) challenge areas. Our search for solutions requires science and technology innovation, as well as an integrated experiment, theory, and modeling and simulation approach. Our research and development spans from improving engineered systems such as nuclear weapons and the power grid, to understanding the interface of human and engineered systems from the subsurface to space, to studying how complex natural systems such as disease and climate impact humanity.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Elucidating and predicting the dynamic evolution of water and land systems due to natural and energy-related forcings

Focal Area(s): 3. Insight gleaned from complex data (both observed and simulated) using AI, big data analytics, and other advanced methods, including explainable AI and physics- or knowledge-guided AI; & 1. Data acquisition and assimilation enabled by machine learning, AI, and advanced methods including experimental/network design/optimization, unsupervised learning (including deep learning), and hardware-related efforts involving AI (e.g., edge computing). Science Challenge: Interactions between water, land, and energy systems are complex and occur on a variety of scales, ranging from local to basinal to regional. Accurately predicting the behavior of ground water and surface water systems for 5-10 years and beyond requires an understanding of the current system and the ability to model both the natural system at scale and human-induced forcings related to energy and other activities. Artificial intelligence and machine learning (AI/ML) combined with modern compilation and integration efforts for U.S. groundwater and surface water systems present potential solutions to bolstering detailed physics-based models of these systems. Big data tied with ML and physics-based modeling can drive breakthroughs in understanding the earth system, but research is often impeded by data access (e.g., privacy issues), quality, formats, gaps, multi-source, multi-scale, integration, and spatiotemporal challenges. Effective integration of real data and simulated (synthetic) data that fill gaps is critical. Overcoming these complex data and model integration challenges will enable a transformational approach to acquiring enhanced understanding of environmental systems.

54 ENVIRONMENTAL SCIENCES↗

Data-Driven Method for Groundwater-Level Mapping and Monitoring-Well Network Optimization at Hanford

This report summarizes the initial results and outcomes of a physics-informed, data-driven groundwater level (GWL) mapping capability for the Hanford Site. GWL mapping at Hanford is typically conducted annually and requires a significant amount of computational and expert resources, and it does not allow assessment of the informational value of specific monitoring wells. The proposed method produces spatially and temporally resolved fields consistent with sparse, irregularly sampled, and nonuniformly distributed well measurements. Implemented successfully, this capability will allow rapid mapping of groundwater levels and provide an opportunity to optimize monitoring activities (both location and sampling frequency) based on data information value evaluation. The approach integrates a diffusion-based generative model – trained on MODFLOW simulation data from the Plateau-to-River (P2R) model – with score-based data assimilation (SDA), allowing observation-conditioned mapping without retraining for each monitoring-network layout.

54 ENVIRONMENTAL SCIENCES↗

Impacts of water scarcity on agricultural production and electricity generation in the Middle East and North Africa

Incorporating the interdependencies between water, energy and food (WEF) within an integrated approach of planning and management could help nations worldwide to address sustainability concerns. This is a topic of great importance for the Middle East and North Africa (MENA) region, where water is a very limited resource. In this study, we develop an analytical framework to analyze the water-energy-food nexus in the MENA region to inform the formulation of integrated strategies for water, energy and food activities. Our approach is based on an integrated assessment model for the MENA region, which explicitly represents WEF sectors within an economic framework, in tandem with a set of relevant scenarios addressing three key dimensions (socioeconomics, climate and water-management). Using this framework, our study analyzes the current and projected status of water resources in the region, and the potential implications for the agriculture and electricity sectors. Our scenarios demonstrate that water scarcity worsens by the end of the 21st century in most MENA countries, mostly due to growing demands. The impacts of growing scarcity on agriculture are significant, with production projected to drop by 60 percent by 2050 in some countries. On the other hand, and to a lesser extent, water-saving technologies and fuel-switching in the power sector play a key role in mitigating the effects of water scarcity on electricity generation in some parts of the MENA region. Our analysis then underscores the need to reduce the dependence of MENA’s agricultural and energy sectors on water, and transition to renewable energies to reduce water scarcity.

54 ENVIRONMENTAL SCIENCES↗

Range data description based on multiple characteristics

An algorithm for describing range images based on Mean curvature (H) and Gaussian curvature (K) is presented. Range images are unique in that they directly approximate the physical surfaces of a real world 3-D scene. The curvature parameters are derived from the fundamental theorems of differential geometry and provides visible invariant pixel labels that can be used to characterize the scene. The sign of H and K can be used to classify each pixel into one of eight possible surface types. Due to the sensitivity of these parameters to noise the resulting HK-sing map does not directly identify surfaces in the range images and must be further processed. A region growing algorithm based on modeling the scene points with a Markov Random Field (MRF) of variable neighborhood size and edge models is suggested. This approach allows the integration of information from multiple characteristics in an efficient way. The performance of the proposed algorithm on a number of synthetic and real range images is discussed.

Al-Hujazi, Ezzet↗

Microbial Paleontology, Mineralogy and Geochemistry of Modern and Ancient Thermal Spring Deposits and Their Recognition on the Early Earth and Mars"

The vision of this project was to improve our understanding of the processes by which microbiological information is captured and preserved in rapidly mineralizing sedimentary environments. Specifically, the research focused on the ways in which microbial mats and biofilms influence the sedimentology, geochemistry and paleontology of modem hydrothermal spring deposits in Yellowstone national Park and their ancient analogs. Toward that goal, we sought to understand how the preservation of fossil biosignatures is affected by 1) taphonomy- the natural degradation processes that affect an organism from the time of its death, until its discovery as a fossil and 2) diagenesis- longer-term, post-depositional processes, including cementation and matrix recrystallization, which collectively affect the mineral matrix that contains fossil biosignature information. Early objectives of this project included the development of observational frameworks (facies models) and methods (highly-integrated, interdisciplinary approaches) that could be used to explore for hydrothermal deposits in ancient terranes on Earth, and eventually on Mars.

Farmer, Jack D.↗

Southern Impact Testing Alliance (SITA)

Efforts to form this Alliance began in 2008 to showcase the impact testing capabilities within the southern United States. Impact testing customers can utilize SITA partner capabilities to provide supporting data during all program phases-materials/component/ flight hardware design, development, and qualification. This approach would allow programs to reduce risk by providing low cost testing during early development to flush out possible problems before moving on to larger scale1 higher cost testing. Various SITA partners would participate in impact testing depending on program phase-materials characterization, component/subsystem characterization, full-scale system testing for qualification. SITA partners would collaborate with the customer to develop an integrated test approach during early program phases. Modeling and analysis validation can start with small-scale testing to ensure a level of confidence for the next step large or full-scale conclusive test shots. Impact Testing Facility (ITF) was established and began its research in spacecraft debris shielding in the early 1960's and played a malor role in the International Space Station debris shield development. As a result of return to flight testing after the loss of STS-107 (Columbia) MSFC ITF realized the need to expand their capabilities beyond meteoroid and space debris impact testing. MSFC partnered with the Department of Defense and academic institutions as collaborative efforts to gain and share knowledge that would benefit the Space Agency as well as the DoD. MSFC ITF current capabilities include: Hypervelocity impact testing, ballistic impact testing, and environmental impact testing.

Hubbs, Whitney↗

Risk Analysis for Resource Planning Optimization

This paper describes a systems engineering approach to resource planning by integrating mathematical modeling and constrained optimization, empirical simulation, and theoretical analysis techniques to generate an optimal task plan in the presence of uncertainties.

optimization↗

Active Learning Meets Foundation Models: Fast Remote Sensing Data Annotation for Object Detection

Object detection in remote sensing demands extensive, high-quality annotations—a process that is both labor-intensive and time-consuming. In this work, we introduce a real-time active learning and semi-automated labeling framework that leverages foundation models to streamline dataset annotation for object detection in remote sensing imagery. For example, by integrating a Segment Anything Model (SAM), our approach generates mask-based bounding boxes that serve as the basis for dual sampling: (a) uncertainty estimation to pinpoint challenging samples, and (b) diversity assessment to ensure broad data coverage. Furthermore, our Dynamic Box Switching Module (DBS) addresses the well-known cold start problem for object detection models by replacing its suboptimal initial predictions with SAM-derived masks, thereby enhancing early-stage localization accuracy. Extensive evaluations on multiple remote sensing datasets plus a real-world user study, demonstrate that our framework not only reduces annotation effort, but also significantly boosts detection performance compared to traditional active learning sampling methods. The code for training and the user interface will be made available.

Burges, Marvin [ORNL] (ORCID:0000000312690769)↗

Completable scheduling: An integrated approach to planning and scheduling

The planning problem has traditionally been treated separately from the scheduling problem. However, as more realistic domains are tackled, it becomes evident that the problem of deciding on an ordered set of tasks to achieve a set of goals cannot be treated independently of the problem of actually allocating resources to the tasks. Doing so would result in losing the robustness and flexibility needed to deal with imperfectly modeled domains. Completable scheduling is an approach which integrates the two problems by allowing an a priori planning module to defer particular planning decisions, and consequently the associated scheduling decisions, until execution time. This allows a completable scheduling system to maximize plan flexibility by allowing runtime information to be taken into consideration when making planning and scheduling decision. Furthermore, through the criteria of achievability placed on deferred decision, a completable scheduling system is able to retain much of the goal-directedness and guarantees of achievement afforded by a priori planning. The completable scheduling approach is further enhanced by the use of contingent explanation-based learning, which enables a completable scheduling system to learn general completable plans from example and improve its performance through experience. Initial experimental results show that completable scheduling outperforms classical scheduling as well as pure reactive scheduling in a simple scheduling domain.

Gervasio, Melinda T.↗

Adaptive Model-Free Vehicle Path-Tracking via Fast-Converging Prescribed-Time Newton-Based Extremum-Seeking Control

Model-free control (MFC) offers a simple and effective approach to automated vehicle path-tracking without requiring an explicit plant model for control law design. However, gain tuning in MFC is typically carried out through trial-and-error, which can be time-consuming and may lead to suboptimal performance. To address this limitation, extremum-seeking-based adaptive MFC has shown promise by enabling real-time adaptation of control gains, without relying on a predefined vehicle model. Nonetheless, existing ESC approaches often suffer from slow convergence. This paper integrates MFC, employing longitudinal and lateral ultra-local models of a rear-wheel-drive vehicle, with a novel prescribed-time (PT) Newton-based extremum-seeking control (ESC) strategy that ensures rapid convergence of control gains within the prescribed time. Unlike conventional gradient-based ESC methods, the PT Newton-based ESC leverages artificial delays and time-periodic gains, not only to guarantee convergence within the specified time, but also to compensate for feedback delays. Simulation results demonstrate that the proposed approach significantly improves gain adaptation speed and tracking accuracy. This work advances adaptive model-free vehicle control by offering a high-performance, delay-resilient alternative to existing ESCMFC frameworks.

Waleed khan, Muhammad [The University of Texas at ↗

Goal-Function Tree Modeling for Systems Engineering and Fault Management

The draft NASA Fault Management (FM) Handbook (2012) states that Fault Management (FM) is a "part of systems engineering", and that it "demands a system-level perspective" (NASAHDBK- 1002, 7). What, exactly, is the relationship between systems engineering and FM? To NASA, systems engineering (SE) is "the art and science of developing an operable system capable of meeting requirements within often opposed constraints" (NASA/SP-2007-6105, 3). Systems engineering starts with the elucidation and development of requirements, which set the goals that the system is to achieve. To achieve these goals, the systems engineer typically defines functions, and the functions in turn are the basis for design trades to determine the best means to perform the functions. System Health Management (SHM), by contrast, defines "the capabilities of a system that preserve the system's ability to function as intended" (Johnson et al., 2011, 3). Fault Management, in turn, is the operational subset of SHM, which detects current or future failures, and takes operational measures to prevent or respond to these failures. Failure, in turn, is the "unacceptable performance of intended function." (Johnson 2011, 605) Thus the relationship of SE to FM is that SE defines the functions and the design to perform those functions to meet system goals and requirements, while FM detects the inability to perform those functions and takes action. SHM and FM are in essence "the dark side" of SE. For every function to be performed (SE), there is the possibility that it is not successfully performed (SHM); FM defines the means to operationally detect and respond to this lack of success. We can also describe this in terms of goals: for every goal to be achieved, there is the possibility that it is not achieved; FM defines the means to operationally detect and respond to this inability to achieve the goal. This brief description of relationships between SE, SHM, and FM provide hints to a modeling approach to provide formal connectivity between the nominal (SE), and off-nominal (SHM and FM) aspects of functions and designs. This paper describes a formal modeling approach to the initial phases of the development process that integrates the nominal and off-nominal perspectives in a model that unites SE goals and functions of with the failure to achieve goals and functions (SHM/FM). This methodology and corresponding model, known as a Goal-Function Tree (GFT), provides a means to represent, decompose, and elaborate system goals and functions in a rigorous manner that connects directly to design through use of state variables that translate natural language requirements and goals into logical-physical state language. The state variable-based approach also provides the means to directly connect FM to the design, by specifying the range in which state variables must be controlled to achieve goals, and conversely, the failures that exist if system behavior go out-of-range. This in turn allows for the systems engineers and SHM/FM engineers to determine which state variables to monitor, and what action(s) to take should the system fail to achieve that goal. In sum, the GFT representation provides a unified approach to early-phase SE and FM development. This representation and methodology has been successfully developed and implemented using Systems Modeling Language (SysML) on the NASA Space Launch System (SLS) Program. It enabled early design trade studies of failure detection coverage to ensure complete detection coverage of all crew-threatening failures. The representation maps directly both to FM algorithm designs, and to failure scenario definitions needed for design analysis and testing. The GFT representation provided the basis for mapping of abort triggers into scenarios, both needed for initial, and successful quantitative analyses of abort effectiveness (detection and response to crew-threatening events).

Patterson, Jonathan D.↗

Distributed Cross-Channel Hierarchical Aggregation for Foundation Models

Vision-based scientific foundation models hold significant promise for advancing scientific discovery and innovation. This potential stems from their ability to aggregate images from diverse sources—such as varying physical groundings or data acquisition systems—and to learn spatio-temporal correlations using transformer architectures. However, tokenizing and aggregating images can be compute-intensive, a challenge not fully addressed by current distributed methods. In this work, we introduce the Distributed Cross-Channel Hierarchical Aggregation (D-CHAG) approach designed for datasets with a large number of channels across image modalities. Our method is compatible with any model-parallel strategy and any type of vision transformer architecture, significantly improving computational efficiency. We evaluated D-CHAG on hyperspectral imaging and weather forecasting tasks. When integrated with tensor parallelism and model sharding, our approach achieved up to a 75% reduction in memory usage and more than doubled sustained throughput on up to 1,024 AMD GPUs on the Frontier Supercomputer.

Tsaris, Aristeidis (aris) [ORNL] (ORCID:0000000277↗

Panel Session 100: An Integrated Systems-Based Monitoring Approach

This panel focused on recent advancements in monitoring and remaining challenges associated with the implementing cost-effective monitoring approaches for complex DOE sites. Monitoring presents one of the largest, long-term costs for environmental remediation and site stewardship within the DOE because contamination at complex sites will likely be present for tens to hundreds of years into the future. Integration of monitoring with predictive modeling is an approach that can reduce long-term monitoring costs as well as support the effective monitoring design and data interpretation for managing a site toward closure and long-term stewardship. Panelists with presentations: Autonomous Electrical Geophysical Monitoring of Contaminated Sites (Tim Johnson); Systems Based Long-Term Monitoring for DOE Legacy Management (David Shafer); Long-Term Systems Based Monitoring (Anderson Ward)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Graph-based Compact Modeling (GCM) of CMOS transistors for efficient parameter extraction: A machine learning approach

Parameter extraction of compact transistor models is an expensive process, heavily relying on engineering knowledge and experience. To automate such a process, we propose a novel approach, Graph-based Compact Model (GCM), that integrates physical modeling and data-driven learning. GCM utilizes Graph Neural Networks (GNNs) to establish the model structure, while retaining the physicality in compact models. Here, we implement our GCM in Verilog-A to support circuit simulations. As demonstrated with an academic 7 nm FinFET PDK, the new approach automatically generates a GCM model within a minute, and achieves excellent accuracy and efficiency in SPICE.

42 ENGINEERING↗

Modeling the Height of Young Forests Regenerating from Recent Disturbances in Mississippi using Landsat and ICESat data

Many forestry and earth science applications require spatially detailed forest height data sets. Among the various remote sensing technologies, lidar offers the most potential for obtaining reliable height measurement. However, existing and planned spaceborne lidar systems do not have the capability to produce spatially contiguous, fine resolution forest height maps over large areas. This paper describes a Landsat-lidar fusion approach for modeling the height of young forests by integrating historical Landsat observations with lidar data acquired by the Geoscience Laser Altimeter System (GLAS) instrument onboard the Ice, Cloud, and land Elevation (ICESat) satellite. In this approach, "young" forests refer to forests reestablished following recent disturbances mapped using Landsat time-series stacks (LTSS) and a vegetation change tracker (VCT) algorithm. The GLAS lidar data is used to retrieve forest height at sample locations represented by the footprints of the lidar data. These samples are used to establish relationships between lidar-based forest height measurements and LTSS-VCT disturbance products. The height of "young" forest is then mapped based on the derived relationships and the LTSS-VCT disturbance products. This approach was developed and tested over the state of Mississippi. Of the various models evaluated, a regression tree model predicting forest height from age since disturbance and three cumulative indices produced by the LTSS-VCT method yielded the lowest cross validation error. The R(exp 2) and root mean square difference (RMSD) between predicted and GLAS-based height measurements were 0.91 and 1.97 m, respectively. Predictions of this model had much higher errors than indicated by cross validation analysis when evaluated using field plot data collected through the Forest Inventory and Analysis Program of USDA Forest Service. Much of these errors were due to a lack of separation between stand clearing and non-stand clearing disturbances in current LTSS-VCT products and difficulty in deriving reliable forest height measurements using GLAS samples when terrain relief was present within their footprints. In addition, a systematic underestimation of about 5 m by the developed model was also observed, half of which could be explained by forest growth that occurred between field measurement year and model target year. The remaining difference suggests that tree height measurements derived using waveform lidar data could be significantly underestimated, especially for young pine forests. Options for improving the height modeling approach developed in this study were discussed.

Li, Ainong↗