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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Learning Topological Operations on Meshes with Application to Block Decomposition of Polygons

We present a learning based framework for mesh quality improvement on unstructured triangular and quadrilateral meshes. Our model learns to improve mesh quality according to a prescribed objective function purely via self-play reinforcement learning with no prior heuristics. The actions performed on the mesh are standard local and global element operations. The goal is to minimize the deviation of the node degrees from their ideal values, which in the case of interior vertices leads to a minimization of irregular nodes.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Geothermal Power Systems Analysis: Outcome of Industry Stakeholders Workshop: Preprint

Geothermal cost and performance evaluation implemented via technoeconomic assessment (TEA) modeling is critical for the Department of Energy (DOE) and other geothermal industry stakeholders in assessing the current state of geothermal technologies and to identify existing hurdles to commercially viable geothermal development. The Geothermal Electricity Technology Evaluation Model (GETEM) is a major TEA tool used in estimating the economic feasibility and levelized cost of energy (LCOE) of conventional hydrothermal systems and enhanced geothermal systems (EGS). Since 2021, GETEM has been transitioning from an intricate spreadsheet model to a user-friendly tool within the System Advisor Model (SAM) developed by the National Renewable Energy Laboratory (NREL). Apart from enabling an expanded visibility of the geothermal model among other renewable resources, having GETEM in SAM has the advantage of simulation automation, better usability, updates tracking, active user inputs/feedback, and extended financial modeling. GETEM is used in developing supply curves for the Annual Technology Baseline (ATB). The ATB data are inputs to the Renewable Energy Potential (reV) and the Regional Energy Deployment System (ReEDS) models. The geothermal module in NREL’s reV model assesses the geothermal energy potential in the conterminous United States by defining the geospatial intersection of geothermal resources with existing grid infrastructure within the constraint of land use characteristics. The ReEDS model is a capacity expansion model used for simulating the long-term build-out and operation of the US generation and transmission system based on current energy costs and policies. To ensure enhanced representation of current industry trends in our model transitions and development, we organized a two-day virtual workshop to elicit geothermal industry stakeholder input and recommendations on our current approaches and assumptions on technoeconomic, resource assessment, and deployment scenarios modeling of geothermal technologies. Participants included developers, operators, investors, regulatory agencies, system modelers, national laboratory researchers, consultants, and other stakeholders. In this workshop, we gained stakeholder insights on current geothermal plant performance (i.e., capacity factors), updated drilling costs and learning curves, and next generation technologies such as closed loop and superhot rock geothermal. Other outcomes from this workshop and its impact on future geothermal development feasibility, resource availability, and capacity expansion studies are compiled and discussed.

Annual Technology Baseline↗
NASA NTRSDate not supplied

Language Model For Earth Science: Exploring Potential Downstream Applications As Well As Current Challenges

The use of deep learning techniques to build transformer language models such as SciBERT and GPT3 have transformed the natural language technology (NLT) landscape. These new NLTs are being used in speech to text and vice versa, auto-mated text classification, sentiment analysis, topic modeling, text summarization, and cognitive assistants. While Earth science has no shortage of unstructured data such as journal and conference papers, little efforts have focused on harnessing NLTs for knowledge extraction and supporting the scientific process. This paper surveys the use of language models in different science. BERT-E, a new Earth science-specific language model, is presented. BERT-E is generated using a transfer learning solution. A language model that has already been trained for general Science (SciBERT) is fine-tuned using abstracts and full text extracted from various Earth science-related articles. A downstream keywords classification application is used for evaluation, and the use of BERT-E shows improved performance. The need to develop a robust set of benchmarks in evaluating the language model such as BERT-E is discussed. Finally, example applications are presented to inspire additional ideas for applications using domain-specific language models.

R Ramachandran↗
NASA NTRS1993

Learning class descriptions from a data base of spectral reflectance of soil samples

Consideration is given to a program developed to learn class descriptions from positive and negative training examples of spectral reflectance data of bare soils. It is a combination of 'learning by example' and the generate-and-test paradigm and is designed to provide a robust learning environment that can handle error-prone data. The program was tested by having it learn class descriptions of various categories of organic carbon content, iron oxide content, and particle size distribution in soils. These class descriptions were then used to classify an array of targets. The program found the sequence of relationships between bands that contained the most important information to distinguish the classes. Physical explanations for the class descriptions obtained are presented.

Kimes, D. S.↗
DOE OSTI2025

Breaking the barrier of human-annotated training data for machine learning-aided plant research using aerial imagery

Machine learning (ML) can accelerate biological research. However, the adoption of such tools to facilitate phenotyping based on sensor data has been limited by (i) the need for a large amount of human-annotated training data for each context in which the tool is used and (ii) phenotypes varying across contexts defined in terms of genetics and environment. This is a major bottleneck because acquiring training data is generally costly and time-consuming. This study demonstrates how a ML approach can address these challenges by minimizing the amount of human supervision needed for tool building. A case study was performed to compare ML approaches that examine images collected by an uncrewed aerial vehicle to determine the presence/absence of panicles (i.e. “heading”) across thousands of field plots containing genetically diverse breeding populations of 2 Miscanthus species. Automated analysis of aerial imagery enabled the identification of heading approximately 9 times faster than in-field visual inspection by humans. Leveraging an Efficiently Supervised Generative Adversarial Network (ESGAN) learning strategy reduced the requirement for human-annotated data by 1 to 2 orders of magnitude compared to traditional, fully supervised learning approaches. The ESGAN model learned the salient features of the data set by using thousands of unlabeled images to inform the discriminative ability of a classifier so that it required minimal human-labeled training data. This method can accelerate the phenotyping of heading date as a measure of flowering time in Miscanthus across diverse contexts (e.g. in multistate trials) and opens avenues to promote the broad adoption of ML tools.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

pixelvar79/ESGAN-Flowering-Detection-paper

Machine learning (ML) can accelerate biological research. However, the adoption of such tools to facilitate phenotyping based on sensor data has been limited by (i) the need for a large amount of human-annotated training data for each context in which the tool is used and (ii) phenotypes varying across contexts defined in terms of genetics and environment. This is a major bottleneck because acquiring training data is generally costly and time-consuming. This study demonstrates how a ML approach can address these challenges by minimizing the amount of human supervision needed for tool building. A case study was performed to compare ML approaches that examine images collected by an uncrewed aerial vehicle to determine the presence/absence of panicles (i.e. “heading”) across thousands of field plots containing genetically diverse breeding populations of 2 Miscanthus species. Automated analysis of aerial imagery enabled the identification of heading approximately 9 times faster than in-field visual inspection by humans. Leveraging an Efficiently Supervised Generative Adversarial Network (ESGAN) learning strategy reduced the requirement for human-annotated data by 1 to 2 orders of magnitude compared to traditional, fully supervised learning approaches. The ESGAN model learned the salient features of the data set by using thousands of unlabeled images to inform the discriminative ability of a classifier so that it required minimal human-labeled training data. This method can accelerate the phenotyping of heading date as a measure of flowering time in Miscanthus across diverse contexts (e.g. in multistate trials) and opens avenues to promote the broad adoption of ML tools.

Varela, Sebastian↗
DOE OSTI2026

Discovery of hydrogen storage molecules using large language models and machine learning

Accelerating the discovery of new molecules with targeted properties is a central challenge in molecular design. In this contribution, we present an AI-driven molecular discovery framework that integrates Large Language Models (LLMs) for generative molecular design with Machine Learning (ML)-based screening to identify novel Liquid Organic Hydrogen Carrier (LOHC) candidates. Using the developed framework, LOHC molecules were systematically generated, evaluated, and refined iteratively, combining LLM-guided molecular generation and ML-predicted hydrogenation enthalpies (Δ H ), under physicochemical property constraints such as optimal melting points (MP), desired hydrogen storage capacity (wt% H 2 ), and synthetic accessibility (SA) scores. This approach enabled the discovery of 42 new LOHC candidates in two distinct campaigns, one seeded with experimentally known and another with previously computationally identified LOHCs, respectively. Although we began with different numbers of starting molecules (31 vs . 7 seed molecules), both runs yielded a comparable number of viable candidates, suggesting an influence of chemically intuitive seed molecule selection for success. Selected LOHC molecules, such as 3-methyl pyridine, 1-ethylnapthalene, 1,1-diphenylethane, and benzofuran, were experimentally tested and compared with benchmark LOHCs (toluene and 9-ethylcarbazole) for hydrogenation using a series of commercial supported metal catalysts. The order of conversion into fully hydrogenated products at 200 °C was 3-methyl pyridine (100%) > 9-ethyl carbazole (86.4%) > 2,3-benzofuran (74%) > 1,1-diphenylethane (66.9%) > 1-ethylnapthalene (66.7%) > toluene (57%), further validating the AI-guided molecular design. This study demonstrates promise of LLM-driven molecular design in conjunction with ML-based screening for accelerated discovery and design of molecules.

Harb, Hassan [Argonne National Laboratory (ANL), A↗
DOE OSTI2024

Conditional guided generative diffusion for particle accelerator beam diagnostics

Abstract Advanced accelerator-based light sources such as free electron lasers (FEL) accelerate highly relativistic electron beams to generate incredibly short (10s of femtoseconds) coherent flashes of light for dynamic imaging, whose brightness exceeds that of traditional synchrotron-based light sources by orders of magnitude. FEL operation requires precise control of the shape and energy of the extremely short electron bunches whose characteristics directly translate into the properties of the produced light. Control of short intense beams is difficult due to beam characteristics drifting with time and complex collective effects such as space charge and coherent synchrotron radiation. Detailed diagnostics of beam properties are therefore essential for precise beam control. Such measurements typically rely on a destructive approach based on a combination of a transverse deflecting resonant cavity followed by a dipole magnet in order to measure a beam’s 2D time vs energy longitudinal phase-space distribution. In this paper, we develop a non-invasive virtual diagnostic of an electron beam’s longitudinal phase space at megapixel resolution (1024 × 1024) based on a generative conditional diffusion model. We demonstrate the model’s generative ability on experimental data from the European X-ray FEL.

43 PARTICLE ACCELERATORS↗
DOE OSTI2026

Machine learning inversion of interatomic force constants from single-crystal inelastic neutron scattering

Atomic vibrations govern many macroscopic properties of materials, but experiments to comprehensively probe them remain challenging. Inelastic neutron scattering (INS) is a powerful technique to map phonon dispersions in crystals, especially when leveraging modern time-of-flight (ToF) spectrometers with large detectors. However, efficiently and robustly extracting interatomic force constants (FCs) parameterizing phonon dynamics from experimental spectra remains a bottleneck due to the complexity and high dimensionality of ToF INS datasets. Here, we present a machine learning approach for the direct inversion of FCs from single-crystal INS measurements. The framework leverages synthetic training data generated using universal machine-learned force fields and an efficient physics-based forward model. We benchmark two neural architectures–one emphasizing structured latent representation learning and the other direct, supervised spectral regression–across simulated datasets for two materials under idealized and noisy conditions. The latent-representation model is subsequently applied to experimental single-crystal INS data on germanium. The model is shown to reproduce FCs derived from both first-principles simulations and from iterative optimization, and furthermore achieves reliable inference even from sparse, single-orientation measurements representing short data acquisitions. Analysis of the learned latent space reveals semantically continuous and physically interpretable encodings that support strong cross-domain generalization. By bridging theoretical and experimental domains, we establish a path toward rapid inversion of experimental spectra and data-driven interpretation of temperature-dependent lattice dynamics.

42 ENGINEERING↗
DOE OSTI2024

Epitaxial oxide ionotronics: Interfaces and oxygen vacancies

Oxide ionotronics is an interdisciplinary field in which systems and devices rely on the migration of ions/ionic defects to alter or drive functionality. In this perspective, we focus on epitaxial oxide heterostructures and the contributing roles of oxygen vacancies and interfaces in ionotronics. We begin with a description of oxygen vacancy behavior, with a focus on vacancy ordering and the effects of interfaces and electric fields on particular epitaxial oxide systems. We then emphasize the use of synchrotron x-ray techniques for investigating system structure and dynamics in situ at interfaces and surfaces. Finally, an outlook on the future of epitaxial oxide ionotronics is provided, and several key areas for research are identified, such as freestanding heterostructures, combinatorial synthesis and machine learning, and next-generation synchrotron x-ray characterization.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Identification of short-range ordering motifs in semiconductors

Chemical short-range ordering is expected to be a key factor for tuning the electronic structure of semiconductors. However, experimental evidence of short-range ordering is still lacking due to the challenge of characterizing atomic-scale ordering motifs. Here, we determined the presence of short-range order in a ternary GeSiSn semiconductor system using advanced energy-filtered four-dimensional scanning transmission electron microscopy and large-scale atomistic models generated by a machine learning neuroevolution potential of first-principles accuracy. This approach revealed preferred ordering of different atomic species with the dominant occurrence of Si–Ge–Sn triplets. Our findings not only confirmed the presence of short-range order but also directly revealed the actual atomic structure, demonstrating the potential for informed atomic order–based band engineering as a third degree of freedom beyond composition and strain tuning.

Vogl, Lilian M. [University of California Berkeley↗
DOE OSTI2024

​Understanding a Stratigraphic Hydrothermal Resource – Geophysical Imaging at Steptoe Valley, Nevada

Sandia National Laboratories partnered with a multi-disciplinary group of subject matter experts to evaluate a stratigraphic geothermal resource in Steptoe Valley, Nevada using both established and novel geophysical imaging techniques. The stratigraphic reservoir in northern Steptoe Valley was previously discovered during oil and gas exploration. Subsequent studies, such as the Nevada Play Fairway Analysis, included data which further highlighted potential resource targets in the basin. Geophysical surveys, complemented with refined geologic mapping and geochemical sampling, were deployed to further characterize the resource. The resulting 3D geologic interpretation, conceptual model refinements, and reservoir simulations suggest that a >100MWe power-capable reservoir is likely economically accessible using conventional well placement and stimulation techniques in the Paleozoic carbonates of the deep/central basin of northern Steptoe Valley. Additional geophysical characterization and exploration drilling efforts are recommended to calibrate interpretation and determine where/how to potentially develop the northern Steptoe resource. The geophysical tools, interpretations, lessons learned, and public data generated by this study establish an exploration methodology to inform decisions for characterization and development of northern Steptoe Valley and other stratigraphic geothermal reservoirs in the western U.S.

15 GEOTHERMAL ENERGY↗
NASA NTRS1972

Mechanism problems

It is pointed out that too frequently during the design and development of mechanisms, problems occur that could have been avoided if the right question had been asked before, rather than after, the fact. Several typical problems, drawn from actual experience, are discussed and analyzed. The lessons learned are used to generate various suggestions for minimizing mistakes in mechanism design.

Riedel, J. K.↗
NASA NTRS1991

Scalable Performance Environments for Parallel Systems

As parallel systems expand in size and complexity, the absence of performance tools for these parallel systems exacerbates the already difficult problems of application program and system software performance tuning. Moreover, given the pace of technological change, we can no longer afford to develop ad hoc, one-of-a-kind performance instrumentation software; we need scalable, portable performance analysis tools. We describe an environment prototype based on the lessons learned from two previous generations of performance data analysis software. Our environment prototype contains a set of performance data transformation modules that can be interconnected in user-specified ways. It is the responsibility of the environment infrastructure to hide details of module interconnection and data sharing. The environment is written in C++ with the graphical displays based on X windows and the Motif toolkit. It allows users to interconnect and configure modules graphically to form an acyclic, directed data analysis graph. Performance trace data are represented in a self-documenting stream format that includes internal definitions of data types, sizes, and names. The environment prototype supports the use of head-mounted displays and sonic data presentation in addition to the traditional use of visual techniques.

Reed, Daniel A.↗
NASA NTRS2004

Using Science Driven Technologies for the Defense and Security Applications

For the past three decades, Earth science remote sensing technologies have been providing enormous amounts of useful data and information in broadening our understanding of our home planet as a system. This research, as it has expanded our learning process, has also generated additional questions. This has further resulted in establishing new science requirements, which have culminated in defining and pushing the state-of-the-art technology needs. NASA s Earth science program has deployed 18 highly complex satellites, with a total of 80 sensors, so far and is in a process of defining and launching multiple observing systems in the next decade. Due to the heightened security alert of the nation, researchers and technologists are paying serious attention to the use of these science driven technologies for dual use. In other words, how such sophisticated observing and measuring systems can be used in detecting multiple types of security concerns with a substantial lead time so that the appropriate law enforcement agencies can take adequate steps to defuse any potential risky scenarios. This paper examines numerous NASA technologies such as laser/lidar systems, microwave and millimeter wave technologies, optical observing systems, high performance computational techniques for rapid analyses, and imaging products that can have a tremendous pay off for security applications.

Habib, Shahid↗
NASA NTRS2002

Methods for semi-automated indexing for high precision information retrieval

OBJECTIVE: To evaluate a new system, ISAID (Internet-based Semi-automated Indexing of Documents), and to generate textbook indexes that are more detailed and more useful to readers. DESIGN: Pilot evaluation: simple, nonrandomized trial comparing ISAID with manual indexing methods. Methods evaluation: randomized, cross-over trial comparing three versions of ISAID and usability survey. PARTICIPANTS: Pilot evaluation: two physicians. Methods evaluation: twelve physicians, each of whom used three different versions of the system for a total of 36 indexing sessions. MEASUREMENTS: Total index term tuples generated per document per minute (TPM), with and without adjustment for concordance with other subjects; inter-indexer consistency; ratings of the usability of the ISAID indexing system. RESULTS: Compared with manual methods, ISAID decreased indexing times greatly. Using three versions of ISAID, inter-indexer consistency ranged from 15% to 65% with a mean of 41%, 31%, and 40% for each of three documents. Subjects using the full version of ISAID were faster (average TPM: 5.6) and had higher rates of concordant index generation. There were substantial learning effects, despite our use of a training/run-in phase. Subjects using the full version of ISAID were much faster by the third indexing session (average TPM: 9.1). There was a statistically significant increase in three-subject concordant indexing rate using the full version of ISAID during the second indexing session (p < 0.05). SUMMARY: Users of the ISAID indexing system create complex, precise, and accurate indexing for full-text documents much faster than users of manual methods. Furthermore, the natural language processing methods that ISAID uses to suggest indexes contributes substantially to increased indexing speed and accuracy.

Evaluation Studies↗
NASA NTRS2006

Atmospheres of Extrasolar Giant Planets

The next decade will almost certainly see the direct imaging of extrasolar giant planets around nearby stars. Unlike purely radial velocity detections, direct imaging will open the door to characterizing the atmosphere and interiors of extrasola planets and ultimately provide clues on their formation and evolution through time. This process has already begun for the transiting planets, placing new constraints on their atmospheric structure, composition, and evolution. Indeed the key to understanding giant planet detectability, interpreting spectra, and constraining effective temperature and hence evolution-is the atmosphere. I will review the universe of extrasolar giant planet models, focusing on what we have already learned from modeling and what we will likely be able to learn from the first generation of direct detection data. In addition to these theoretical considerations, I will review the observations and interpretation of the - transiting hot Jupiters. These objects provide a test of our ability to model exotic atmospheres and challenge our current understanding of giant planet evolution.

Marley, Mark↗
NASA NTRS2017

Structural Configuration Analysis of Advanced Flight Vehicle Concepts with Distributed Hybrid-Electric Propulsion

Structural configuration analysis of two advanced aircraft concepts with distributed hybrid-electric propulsion is presented. These concepts are characterized by multiple wing-mounted electric propulsors, which are powered by turbo-generators. Based on lessons learned from previous structural analysis of unconventional concepts, high-fidelity finite element models of the aircraft wing with embedded electric propulsors are developed. Although a hybrid-electric propulsion system has noise and emission benefits, it also adds electrical power system weights. Hence, efficient structural integration of the wing and propulsors is investigated for design improvement, structural analysis, and weight reduction. Wing structural weights of the two designs are compared with a baseline conventional transport aircraft wing for benefit assessment. In one design, the wing structural weight reduction partially compensates for the additional weight associated with the distributed electric propulsion system.

Mukhopadhyay, Vivek↗