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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 199 records · Page 11

Spatial Proteomics towards cellular Resolution

Introduction: Spatial biology is an emerging interdisciplinary field facilitating biological discoveries through the use of spatial omics technologies. Recent advancements in spatial transcriptomics, spatial genomics (e.g. genetic mutations and epigenetic marks), multiplexed immunofluorescence, and spatial metabolomics/lipidomics have enabled high-resolution spatial profiling of gene expression, genetic variation, protein expression, and metabolites/lipids profiles in tissue. These developments contribute to a deeper understanding of the spatial organization within tissue microenvironments at the molecular level. Areas covered: This report provides an overview of the untargeted, bottom-up mass spectrometry (MS)-based spatial proteomics workflow. It highlights recent progress in tissue dissection, sample processing, bioinformatics, and liquid chromatography (LC)-MS technologies that are advancing spatial proteomics toward cellular resolution. Expert opinion: The field of untargeted MS-based spatial proteomics is rapidly evolving and holds great promise. To fully realize the potential of spatial proteomics, it is critical to advance data analysis and develop automated and intelligent tissue dissection at the cellular or subcellular level, along with high-throughput LC-MS analyses of thousands of samples. In conclusion, achieving these goals will necessitate significant advancements in tissue dissection technologies, LC-MS instrumentation, and computational tools.

59 BASIC BIOLOGICAL SCIENCES↗

S-band multiple-access interference study for advanced tracking and data relay satellite systems

The results of a study on the effect of mutual interference among S-band multiple access (SMA) system users of advanced tracking and data relay satellite system (ATDRSS) are presented. In the ATDRSS era, the SMA system is required to support data rates ranging from 10 kb/s to 3 Mb/s. The system will consist of four advanced tracking and data relay satellites (ATDRS) each supporting up to five telemetry links. All users have 10 MHz bandwidth with their carrier frequency equal to 2.2875 GHz. A hybrid SDMA/CDMA scheme is used to mitigate the effect of the interference among system users. SMA system interference probability is evaluated with CLASS software. User link margin degradation due to mutual interference between two users is evaluated. System interference probability is evaluated for the projected 1996 mission model, a reference mission model, and a modified reference mission model.

Peng, Wei-Chung↗

Advanced flip-coil system for magnetic field integral measurements of insertion devices

A novel flip-coil measurement system has been developed for the National Synchrotron Light Source II (NSLS-II) at Brookhaven National Laboratory. This paper describes the design, implementation, and commissioning of the new measurement bench, highlighting its key features, including improved mechanical stability, advanced data acquisition, and enhanced reproducibility. The system enables precise characterization of field integrals and multipole components, ensuring the optimal performance of Insertion Devices (IDs) before installation in the NSLS-II storage ring. The flip-coil system incorporates an innovative approach to minimize mechanical and electrical errors, which significantly improves the reproducibility of measurements. In addition, the system features a state-of-the-art data acquisition system that enables real-time monitoring and analysis, further enhancing the efficiency and accuracy of the measurement process. Furthermore, preliminary tests have demonstrated that the new system meets the stringent requirements for magnetic field characterization of advanced insertion devices, making it an essential tool for future ID commissioning and quality assurance at NSLS-II.

36 MATERIALS SCIENCE↗

Monitoring and flaw detection during wire-based directed energy deposition using in-situ acoustic sensing and wavelet graph signal analysis

The goal of this work is to detect flaw formation in the wire-based directed energy deposition (W-DED) process using in-situ sensor data. The W-DED studied in this work is analogous to metal inert gas electric arc welding. The adoption of W-DED in industry is limited because the process is susceptible to stochastic and environmental disturbances that cause instabilities in the electric arc, eventually leading to flaw formation, such as porosity and suboptimal geometric integrity. Moreover, due to the large size of W-DED parts, it is difficult to detect flaws post-process using non-destructive techniques, such as X-ray computed tomography. Accordingly, the objective of this work is to detect flaw formation in W-DED parts using data acquired from an acoustic (sound) sensor installed near the electric arc. To realize this objective, we develop and apply a novel wavelet integrated graph theory approach. The approach extracts a single feature called graph Laplacian Fiedler number from the noise-contaminated acoustic sensor data, which is subsequently tracked in a statistical control chart. Using this approach, the onset of various types of flaws are detected with a false alarm rate less-than 2%. This work demonstrates the potential of using advanced data analytics for in-situ monitoring of W-DED.

42 ENGINEERING↗

High Performance Computing Traffic Simulations for Real-Time Traffic Control of Mobility in Chattanooga Region

In 2019, highway congestion wasted over 3 billion gallons of fuel and caused 8.8 billion hours of lost productivity.1 Research has shown that introducing near-real time traffic controls can significantly reduce congestion. Validated and calibrated traffic simulations enable the modeling of transportation systems and the evaluation of different traffic control actions and schemes given a variety of circumstances that represent likely future scenarios. The developed scenarios can inform the deployment of controls in near real-time to improve freight and passenger vehicle congestion and energy use. In this work, we present simulations used to model the traffic in the Chattanooga, Tennessee, metropolitan area. Simulations were constructed and calibrated using a variety of local, data science enhanced, data sources utilizing open source software including the Simulation of Urban Mobility (SUMO) simulator. High-Performance Computing (HPC) provides a scalable platform with enough computing for the high-fidelity simulation of many scenarios and the application of advance data science especially for large-scale systems. Our simulations include microscopic simulations at a corridor level for traffic signal control, and mesoscopic simulations to evaluate regional operational controls and infrastructure.

97 MATHEMATICS AND COMPUTING↗

Intelligent Systems for Self-Healing Electronics

For long duration missions it is imperative to be able to monitor and record critical information. The data acquisition systems used must therefore be fault tolerant. This usually meant having redundant copies of critical channels. Since each channel usually consists of various components, the parts count, cost, weight and complexity of the system could be very high. The Advanced Data Acquisition System (ADAS) has been developed as a proof of concept. The purpose was to demonstrate an architecture where individual spare parts can replace defective ones to repair a channel. By so doing entire channels do not need replication. This reduces the need of total redundancy and reduces the parts count. This has the added feature that in addition to spare parts, good components of a failed channel can be used as spares in another channel. In addition to reducing parts count and cost, this configuration, with an intelligent decision maker, can improve the reliability of the overall system. Another unique feature of ADAS is that it uses reconfigurable analog filters. These components can be programmed, by the smart system to meet the specific needs of the part they are to replace. This way one part can serve as spare for many different components. The hardware was built and now serves as a platform for developing intelligent algorithms. Another related project was a wireless data acquisition system. I was invited to participate in the meetings and issue suggestions. A brief description of this system will also be included.

Latino, Carl D.↗

Artificial Intelligence for Enhancing Multiscale Analysis: Buildings Focus

This project aims to develop multi-scale building energy data, potentially improving the representation of the U.S. buildings sector in GCAM-USA, an U.S.-focused human-energy-Earth systems model. Existing building energy datasets are typically limited to national or regional levels, which constrains the ability of models to capture fine-scale human-energy-Earth systems interactions and reduces their relevance for decision-making on issues such as energy security, resilience, and energy planning. By leveraging AI and advanced data integration methods, this work fuses multiple existing datasets to enhance the physical and geographic representation of both residential and commercial building energy use. So far, progress includes processing residential building data, designing the data structure for commercial buildings, and testing AI approaches for integrating datasets and addressing spatial-temporal gaps. This effort can not only advances GCAM-USA’s capability in modeling the buildings sector but also supports broader DOE missions, such as developing digital testbeds, enhancing grid resilience analysis, and improving building–energy system modeling at decision-relevant scales.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Database Management Module Framework for Dynamic Contingency Analysis and Visualization

The Dynamic Contingency Analysis Tool (DCAT) is being developed to mimic the response of generation dynamics, protection, and load components to extreme contingencies in power systems. Currently, DCAT generates a huge data set, with the analysis results stored in multiple subfolders using a great many files in different formats (power flow cases, time series, figures, spreadsheets). To help power system engineers thoroughly understand and analyze system behavior under many scenarios and contingencies, we developed a database management module (DBM) that enables future integration of DCAT with industry-grade Big Data analytical and interactive visualization platforms. In this paper, we demonstrate the DBM framework with interactive analytics and visualization for DCAT on the synthetic South Carolina 500-bus power system model using hurricane contingencies that capture possibilities for an extreme contingency. DCAT’s advanced data management and interactive visualization can help planning engineers to visually explore and analyze system behavior, all in one view.

Cascading, dynamic simulations, database managemen↗

Massive all-atom analysis of 2D materials with quantum properties (Final report)

Improvements in microscopy have enabled the acquisition of data at a scale that is difficult to process manually, making automated machine learning approaches to analyzing experimental images essential. In this project, we developed and applied machine learning (ML) workflows for atomic resolution scanning transmission electron microscopy (STEM) images. This development included improving both methodology as well as generating user-friendly codes. We developed machine learning architectures which, after training, automatically identify the location and types of defects throughout a material. We used these data to produce class-averaged images of 2D atomic coordinates with up to 0.3 pm precision, uncovering the structure and oscillations of long-range strain fields around point defects in WSe 2-2x Te 2x . We also resolved a long-standing problem in this field in the training of ML models, a lack of labeled experimental data, by developing a cycle-GAN that transformed simulated-generated labeled data into labeled data indistinguishable from experiment and therefore suitable for training. This removed the remaining parts of the ML data processing workflow where human intervention was still critical and therefore a bottleneck to working at scale. Codes have been developed and released for this full machine learning workflow. ML approaches to partially automate STEM acquisition were also developed. Finally we applied ML and other advanced data processing methods to several materials science problems in two-dimensional materials, including studying the evolution of hyperuniformity with defect concentration in WSe2, understanding phase transformations in transition metal dichalcogenides during in-situ heating in the STEM, and exploring how 2D interfaces transform from twisted into aligned structures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Integration of RNTuple in ATLAS Athena

After using ROOT’s TTree I/O subsystem for over two decades and storing more than an exabyte of compressed High Energy Physics (HEP) data, advances in technology have motivated a complete redesign, RNTuple, which breaks backward-compatibility to take better advantage of these storage options. The RNTuple I/O subsystem has been designed to address performance bottlenecks and other shortcomings of TTree. Specifically, RNTuple comes with an updated, more compact binary data format that can be stored both in ROOT files and natively in object stores. It is designed for modern storage hardware (e.g. high-throughput low-latency NVMe SSDs), and provides robust and easy to use interfaces. The binary format of RNTuple is scheduled to become production grade in 2024, and recently has become mature enough to start exploring the integration into software used by HEP experiments. In this contribution, we discuss the developments to support the features as required by the ATLAS analysis Event Data Model (EDM) in RNTuple, which will enable its integration into the Athena software framework. With these developments in place, we evaluate the performance of the current most recent versions of RNTuple-based ATLAS data sets and compare this to that of TTree.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Next Generation Agricultural System Models and Knowledge Products: Synthesis and Strategy

The purpose of this Special Issue of Agricultural Systems is to lay the foundation for the next generation of agricultural systems data, models and knowledge products. In the Introduction to this Special Issue, we described a vision for accelerating the rate of agricultural innovation and meeting the growing global need for food and fiber. In this concluding article of the NextGen Special Issue we synthesize insights and formulate a strategy to advance data, models, and knowledge products that are consistent with this vision. This strategy is designed to facilitate a transition from the current, primarily supply-driven approach toward a more demand-driven approach that would address key Use Cases where better data, models and knowledge products are seen by end-users as essential to meet their needs.

Next generation↗

Ten questions concerning reinforcement learning for building energy management

As buildings account for approximately 40% of global energy consumption and associated greenhouse gas emissions, their role in decarbonizing the power grid is crucial. The increased integration of variable energy sources, such as renewables, introduces uncertainties and unprecedented flexibilities, necessitating buildings to adapt their energy demand to enhance grid resiliency. Consequently, buildings must transition from passive energy consumers to active grid assets, providing demand flexibility and energy elasticity while maintaining occupant comfort and health. This fundamental shift demands advanced optimal control methods to manage escalating energy demand and avert power outages. Reinforcement learning (RL) emerges as a promising method to address these challenges. Here, in this paper, we explore ten questions related to the application of RL in buildings, specifically targeting flexible energy management. We consider the growing availability of data, advancements in machine learning algorithms, open-source tools, and the practical deployment aspects associated with software and hardware requirements. Our objective is to deliver a comprehensive introduction to RL, present an overview of existing research and accomplishments, underscore the challenges and opportunities, and propose potential future research directions to expedite the adoption of RL for building energy management.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Cross-facility science with the Superfacility Project at LBNL

As data sets from DOE user science facilities grow in both size and complexity there is an urgent need for new capabilities to transfer, analyze and manage the data underlying scientific discoveries. LBNL's Superfacility project brings together experimental and observational research instruments with computational and network facilities at the National Energy Research Scientific Computing Center (NERSC) and the Energy Sciences Network (ESnet) with the goal of enabling user science. Here, we report on recent innovations in the Superfacility project, including advanced data management, API-based automation, real-Time interactive user interfaces, and supported infrastructure for 'edge' services.

Enders, B↗

Nuclear Data Assessment for Advanced Reactors

Advanced reactor concepts being developed throughout the industry are significantly different from light-water reactor (LWR) designs with respect to geometry, materials, and operating conditions, and consequently, with respect to their reactor physics behavior. Given the limited operating experience with non-LWRs, the accurate simulation of reactor physics and the quantification of associated uncertainties are important for ensuring that the nuclear design for advanced reactor concepts include appropriate margins. Nuclear data are a major source of input uncertainties in reactor physics analysis. As part of a project sponsored by the US Nuclear Regulatory Commission at Oak Ridge National Laboratory (ORNL), key nuclear data relevant to reactor safety analysis in selected advanced reactor technologies were identified, and their impacts on important key figures of merit were assessed based on (1) a review of available advanced reactor specifications, (2) analysis of previous studies performed at ORNL and other research institutions, and (3) sensitivity and uncertainty analyses performed for six selected benchmarks—three experimental and three computational—to quantify the impacts of the identified key nuclear data on several key metrics. This report summarizes the key nuclear data—nominal data and nuclear data uncertainties— considering the most important nuclear reactions in the fuel and in various materials for the moderator, coolant, and structure of the considered advanced reactors.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Observations and Modeling of Fiber Optic Strain on Hydraulic Fracture Height Growth in Hydraulic Fracturing Test Site 2 (HFTS-2)

Summary Understanding fracture height growth can be of great significance to optimizing field development and improving recovery. The Hydraulic Fracturing Test Site 2 (HFTS-2) has provided a unique opportunity and an advanced data set to allow us to observe and understand fracture geometries rigorously. Low-frequency distributed acoustic sensing (LF-DAS) data from a vertical well in HFTS-2 showed three key observations: (i) excessive upward height growth (>1,000 ft) and limited downward growth of the hydraulic fractures during pumping, (ii) considerable additional upward fracture height growth (~300 ft) after well shut in, and (iii) very complex LF-DAS strain rate patterns for a small fiber-to-stage offset. Advanced geomechanical modeling was performed to simulate the hydraulic fracture propagation and the resulting strain responses in the vertical direction. The modeling results demonstrated asymmetric upward and downward fracture height growths as observed in HFTS-2 with a similar upward height growth rate. Simulated waterfall plots of vertical strain rate showed distinct patterns for different fiber-to-fracture distances. The upward-growing fracture tip can be clearly identified by the interfaces between compressing and extending zones. It was also found that the complex strain rate patterns observed in HFTS-2 for small fiber-stage offsets were not caused by the mechanical layering but possibly result from the simultaneous propagation of multiple hydraulic fractures at different rates. The simulation results improved the understating of the HFTS-2 LF-DAS data, and the simulated strain rate patterns could also serve as templates for fracture height interpretation from LF-DAS data in future.

Engineering↗

Produced Water DNA Database (PW-DNA): Utilizing KBase to generate an environmental specific curated molecular database

The deep subsurface is estimated to host the majority of Earth’s microbial biomass yet remains one of the most challenging environments to access and study. One common approach to investigate these microbial communities is through the analysis of produced water from subsurface reservoirs, where researchers can assess water and gas chemistry along with molecular (DNA/RNA) sequence data. Advances in high-throughput sequencing have greatly expanded our understanding of these environments and their biotechnological potential. However, further progress requires large-scale, integrative meta-analyses across diverse datasets. To address this need, we developed the Produced Water-DNA (PW-DNA) Database, a curated, publicly available resource that consolidates microbial DNA/RNA sequences, geochemical data, and relevant metadata from in situ hydrocarbon environments such as coal beds, oil reservoirs, and natural gas systems. The PW-DNA database delivers three core benefits to the research community: (1) it improves data sharing by linking environmental microbial datasets with corresponding geochemical parameters, enabling more robust filtering and analysis; (2) it connects with complementary research databases to promote broader dissemination and interoperability; and (3) it supports technological innovation by serving as a resource for identifying microbial trends and exploring genetic potential. While individual studies have highlighted basin-specific microbial communities and functional redundancy in biogeochemical cycling, a comprehensive, system-wide perspective is needed to better understand connectivity and novelty across subsurface ecosystems. By designing the PW-DNA in the KBase platform, we provide a reproducible, visual framework for integrating large-scale genomic and geochemical data, enabling researchers to perform more informed analyses and experimental design. Ultimately, this resource enhances the ability to identify, characterize, and interpret microbial functions across diverse subsurface environments, thereby accelerating discovery in subsurface microbiology and biotechnology.

59 BASIC BIOLOGICAL SCIENCES↗

High Performance Computing Facility Operational Assessment 2022: Oak Ridge Leadership Computing Facility

The Oak Ridge Leadership Computing Facility (OLCF) was established to accelerate scientific discovery by providing world-leading computational performance and advanced data infrastructure. As a US Department of Energy (DOE) Office of Science user facility, the OLCF has managed the successful deployment and operation of a succession of leadership-class resources dedicated to open science. In addition to these resources, the OLCF staff continually strive to develop innovative processes and technologies, improve security, and empower users through allocation management and comprehensive user support and training. These efforts support the advancement of science by the OLCF users and benefit high-performance computing (HPC) facilities around the world. In calendar year (CY) 2022, the OLCF supported 1,681 users and 570 projects and exceeded all targets for user satisfaction. The facility received an average satisfaction score of 4.6 out of 5 on the annual user survey, and 96% of respondents reported a high satisfaction rate with the OLCF overall. Of the 3,212 user tickets submitted in CY 2022, OLCF staff resolved 97% within 3 business days. The facility also introduced several new services for users this year, including weekly virtual office hours with subject matter experts from ORNL and vendor partners; new views in MyOLCF that allow users to analyze allocation and compute usage for a project; the ability to build and run containers on Summit; and improved data visualization support and training resources.

97 MATHEMATICS AND COMPUTING↗

InSAR Scientific Computing Environment

This computing environment is the next generation of geodetic image processing technology for repeat-pass Interferometric Synthetic Aperture (InSAR) sensors, identified by the community as a needed capability to provide flexibility and extensibility in reducing measurements from radar satellites and aircraft to new geophysical products. This software allows users of interferometric radar data the flexibility to process from Level 0 to Level 4 products using a variety of algorithms and for a range of available sensors. There are many radar satellites in orbit today delivering to the science community data of unprecedented quantity and quality, making possible large-scale studies in climate research, natural hazards, and the Earth's ecosystem. The proposed DESDynI mission, now under consideration by NASA for launch later in this decade, would provide time series and multiimage measurements that permit 4D models of Earth surface processes so that, for example, climate-induced changes over time would become apparent and quantifiable. This advanced data processing technology, applied to a global data set such as from the proposed DESDynI mission, enables a new class of analyses at time and spatial scales unavailable using current approaches. This software implements an accurate, extensible, and modular processing system designed to realize the full potential of InSAR data from future missions such as the proposed DESDynI, existing radar satellite data, as well as data from the NASA UAVSAR (Uninhabited Aerial Vehicle Synthetic Aperture Radar), and other airborne platforms. The processing approach has been re-thought in order to enable multi-scene analysis by adding new algorithms and data interfaces, to permit user-reconfigurable operation and extensibility, and to capitalize on codes already developed by NASA and the science community. The framework incorporates modern programming methods based on recent research, including object-oriented scripts controlling legacy and new codes, abstraction and generalization of the data model for efficient manipulation of objects among modules, and well-designed module interfaces suitable for command- line execution or GUI-programming. The framework is designed to allow users contributions to promote maximum utility and sophistication of the code, creating an open-source community that could extend the framework into the indefinite future.

Rosen, Paul A.↗