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At least 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Pyrolysis of high-density polyethylene: Degradation behaviors, kinetics, and product characteristics

Pyrolysis is a promising technology for converting plastic waste into valuable raw materials while offering a potential solution to the global plastic pollution crisis. In this study, the thermal pyrolysis of high-density polyethylene (HDPE) is investigated in a drop tube reactor under nearly isothermal conditions. The impact of reaction temperature and gas/volatile residence time on carbon conversion and product distribution is examined across a range of 500–900°C and 3.6–32.2s, respectively. Non-condensable gas products detected by online mass spectrometry are H 2 , CH 4 , C 2 H 4 , C 2 H 6 , C 3 H 6 , and C 3 H 8 . At elevated temperatures and prolonged residence time, H 2 yield reaches as high as 8.6 wt% of the initial HDPE mass due to intensified cracking reactions of C 2 –C 3 hydrocarbons and long-chain aliphatic compounds. Consequently, pyrolysis tars consist mainly of polycyclic aromatic hydrocarbons (PAHs) with 5–7 rings, accompanied by visible coke deposition within the reactor. HDPE decomposition to volatiles is an endothermic process and it is complete at a temperature between 492°C and 525°C, depending on the heating rate employed, from non-isothermal thermogravimetric analysis and differential scanning calorimetry (TGA-DSC) measurements. The thermal degradation of HDPE pellets follows the two-dimensional nucleation growth model for conversion levels up to 0.8 with an apparent activation energy of 259–270 kJ/mol and a pre-exponential factor of 4.83 × 10 17 –1.37 × 10 19 min -1 , determined from various isoconversional methods such as Flynn-Wall-Ozawa (FWO), Kissinger-Akahira-Sunose (KAS), and Starink, along with Criado's master plots. Further, these findings provide valuable insights into optimizing process parameters and refining reactor design for pyrolysis, which can be integrated with gasification and reforming processes to enhance hydrogen production on a larger scale.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2016

Genelab: Scientific Partnerships and an Open-Access Database to Maximize Usage of Omics Data from Space Biology Experiments

NASA's mission includes expanding our understanding of biological systems to improve life on Earth and to enable long-duration human exploration of space. The GeneLab Data System (GLDS) is NASA's premier open-access omics data platform for biological experiments. GLDS houses standards-compliant, high-throughput sequencing and other omics data from spaceflight-relevant experiments. The GeneLab project at NASA-Ames Research Center is developing the database, and also partnering with spaceflight projects through sharing or augmentation of experiment samples to expand omics analyses on precious spaceflight samples. The partnerships ensure that the maximum amount of data is garnered from spaceflight experiments and made publically available as rapidly as possible via the GLDS. GLDS Version 1.0, went online in April 2015. Software updates and new data releases occur at least quarterly. As of October 2016, the GLDS contains 80 datasets and has search and download capabilities. Version 2.0 is slated for release in September of 2017 and will have expanded, integrated search capabilities leveraging other public omics databases (NCBI GEO, PRIDE, MG-RAST). Future versions in this multi-phase project will provide a collaborative platform for omics data analysis. Data from experiments that explore the biological effects of the spaceflight environment on a wide variety of model organisms are housed in the GLDS including data from rodents, invertebrates, plants and microbes. Human datasets are currently limited to those with anonymized data (e.g., from cultured cell lines). GeneLab ensures prompt release and open access to high-throughput genomics, transcriptomics, proteomics, and metabolomics data from spaceflight and ground-based simulations of microgravity, radiation or other space environment factors. The data are meticulously curated to assure that accurate experimental and sample processing metadata are included with each data set. GLDS download volumes indicate strong interest of the scientific community in these data. To date GeneLab has partnered with multiple experiments including two plant (Arabidopsis thaliana) experiments, two mice experiments, and several microbe experiments. GeneLab optimized protocols in the rodent partnerships for maximum yield of RNA, DNA and protein from tissues harvested and preserved during the SpaceX-4 mission, as well as from tissues from mice that were frozen intact during spaceflight and later dissected on the ground. Analysis of GeneLab data will contribute fundamental knowledge of how the space environment affects biological systems, and as well as yield terrestrial benefits resulting from mitigation strategies to prevent effects observed during exposure to space environments.

bioinformatics↗
NASA NTRS2016

GeneLab: Scientific Partnerships and an Open-Access Database to Maximize Usage of Omics Data from Space Biology Experiments

NASA's mission includes expanding our understanding of biological systems to improve life on Earth and to enable long-duration human exploration of space. The GeneLab Data System (GLDS) is NASAs premier open-access omics data platform for biological experiments. GLDS houses standards-compliant, high-throughput sequencing and other omics data from spaceflight-relevant experiments. The GeneLab project at NASA-Ames Research Center is developing the database, and also partnering with spaceflight projects through sharing or augmentation of experiment samples to expand omics analyses on precious spaceflight samples. The partnerships ensure that the maximum amount of data is garnered from spaceflight experiments and made publically available as rapidly as possible via the GLDS. GLDS Version 1.0, went online in April 2015. Software updates and new data releases occur at least quarterly. As of October 2016, the GLDS contains 80 datasets and has search and download capabilities. Version 2.0 is slated for release in September of 2017 and will have expanded, integrated search capabilities leveraging other public omics databases (NCBI GEO, PRIDE, MG-RAST). Future versions in this multi-phase project will provide a collaborative platform for omics data analysis. Data from experiments that explore the biological effects of the spaceflight environment on a wide variety of model organisms are housed in the GLDS including data from rodents, invertebrates, plants and microbes. Human datasets are currently limited to those with anonymized data (e.g., from cultured cell lines). GeneLab ensures prompt release and open access to high-throughput genomics, transcriptomics, proteomics, and metabolomics data from spaceflight and ground-based simulations of microgravity, radiation or other space environment factors. The data are meticulously curated to assure that accurate experimental and sample processing metadata are included with each data set. GLDS download volumes indicate strong interest of the scientific community in these data. To date GeneLab has partnered with multiple experiments including two plant (Arabidopsis thaliana) experiments, two mice experiments, and several microbe experiments. GeneLab optimized protocols in the rodent partnerships for maximum yield of RNA, DNA and protein from tissues harvested and preserved during the SpaceX-4 mission, as well as from tissues from mice that were frozen intact during spaceflight and later dissected on the ground. Analysis of GeneLab data will contribute fundamental knowledge of how the space environment affects biological systems, and as well as yield terrestrial benefits resulting from mitigation strategies to prevent effects observed during exposure to space environments.

spaceflight↗
DOE OSTI2025

Scale-up Unlearnable Examples Learning with High-performance Computing

Recent advancements in AI models, like ChatGPT, are structured to retain user interactions, which could inadvertently include sensitive healthcare data. In the healthcare field, particularly when radiologists use AI-driven diagnostic tools hosted on online platforms, there is a risk that medical imaging data may be repurposed for future AI training without explicit consent, spotlighting critical privacy and intellectual property concerns around healthcare data usage. Addressing these privacy challenges, a novel approach known as Unlearnable Examples (UEs) has been introduced, aiming to make data unlearnable to deep learning models. A prominent method within this area, called Unlearnable Clustering (UC), has shown improved UE performance with larger batch sizes but was previously limited by computational resources (e.g., a single workstation). To push the boundaries of UE performance with theoretically unlimited resources, we scaled up UC learning across various datasets using Distributed Data Parallel (DDP) training on the Summit supercomputer. Our goal was to examine UE efficacy at high-performance computing (HPC) levels to prevent unauthorized learning and enhance data security, particularly exploring the impact of batch size on UE’s unlearnability. Utilizing the robust computational capabilities of the Summit, extensive experiments were conducted on diverse datasets such as Pets, MedMNist, Flowers, and Flowers102. Our findings reveal that both overly large and overly small batch sizes can lead to performance instability and affect accuracy. However, the relationship between batch size and unlearnability varied across datasets, highlighting the necessity for tailored batch size strategies to achieve optimal data protection. The use of Summit’s high-performance GPUs, along with the efficiency of the DDP framework, facilitated rapid updates of model parameters and consistent training across nodes. Our results underscore the critical role of selecting appropriate batch sizes based on the specific characteristics of each dataset to prevent learning and ensure data security in deep learning applications. The source code is publicly available at https: // github. com/ hrlblab/ UE_ HPC .

Zhu, Yanfan [Vanderbilt University, Nashville, TN,↗
DOE OSTI2020

Open Source Visualization and Analysis Platform for 3D Reconstructions of Materials by Transmission Electron Microscopy

Three-dimensional characterization of materials at the nano- and meso-scale has become possible with transmission and scanning transmission electron microscopes (S/TEM). Its importance has extended to a wide class of nanomaterials such as hydrogen fuel cells, solar cells, industrial catalysts, new battery materials and semiconductor devices, as well as spanning high-tech industry, universities, and national labs. While capable instrumentation is abundant, this rapidly expanding demand for high-resolution tomography is bottlenecked by software that is instead tailored for lower-dose, biological applications and not optimized for higher-resolution materials applications. Existing tomography fails to utilize the chemical information provided by S/TEM spectrometers. To address this problem, this project delivered a scalable, fully functional, freely-distributable, open Source materials tomography package with a modern user interface that enables automated acquisition, alignment, and real-time reconstruction of raw tomography data, and provides advanced segmentation, three-dimensional chemical visualization and analysis optimized for materials applications. It has established an extendable framework capable of automation for high-throughput for the tomography of materials from data acquisition to visualization. Phase I and II delivered a full-featured, cross-platform, clean and integrated application for S/TEM materials tomography. It can read projection data from the microscope, with graphical tools for alignment of data, tomographic reconstruction, segmentation, and visualization of the reconstructed 3D volume. The entire pipeline can be saved to an XML state file, enabling fully reproducible data processing and analysis with a full Python environment for the development of custom algorithms, processing, and analysis requirements. Phase IIB extended the application to provide real-time tomographic reconstruction, "live updates" as data is processed, analysis of big data, and multi-channel tomography. Here, quantitative assessment of nanomaterials can occur as data is being recorded on a 3D visualization platform that accommodates additional information from multiple channels. We provide unmatched high-throughput tomography, where the complete tomographic pipeline from measurement to 3D visualization can occur rapidly. The project was extended to offer capabilities for micro-CT, X-ray, neutron, focused ion beam, atomic electron tomography and atom probe tomography. With over 600 transmission electron microscopes worldwide and approximately 50 coming online each year, the demand and impact of an open-source tomography tool is large. Significant opportunities exist in high-tech industry, universities, and national labs to enable or enhance three-dimensional imaging at the nanoscale and bring automated high-throughput approaches that will accelerate progress in materials characterization and metrology. The project supports a service based business model by enabling lab-specific acquisition and processing customization and integration-support and development that will be provided into Phase III and beyond.

36 MATERIALS SCIENCE↗
NASA NTRS2001

Predictor-Corrector Entry Guidance for Reusable Launch Vehicles

An online entry guidance algorithm has been developed using a predictor-corrector approach. The algorithm is designed for the Reusable Launch Vehicle (RLV) and is demonstrated by using, the X-33 model. The objective of the design is to handle widely dispersed entry conditions and deliver the vehicle at the Terminal Area Energy Management (TAEM) interface box within an acceptable tolerance and without violating any of the vehicle physical constraints. Combination of several control variables is used in testing the performance and computational requirement of the algorithm. The control variables are the bank angle, angle-of-attack and the time for roll reversal. The bank angle and angle-of-attack profiles are the nominal profiles plus the perturbations in each direction. The initial guess of the bank profile is a 45 degrees bank angle with reversal at 360 seconds from liftoff. A six-element state vector is propagated to the TAEM interface box through the integration of the equations of motion (EOM). Altitude, heading and range errors are computed between the desired and the achieved state at the TAEM interface. These errors are used to correct the initial guess of the control variables. This process is repeated until the errors meet an acceptable level at the TAEM interface. Several numerical optimization methods are used to evaluate the convergent property of the predictor-predictor methodology. Successful results are demonstrated using the X-33 model.

Youssef, Hussein↗
DOE OSTI2016

SICK: THE SPECTROSCOPIC INFERENCE CRANK

There exists an inordinate amount of spectral data in both public and private astronomical archives that remain severely under-utilized. The lack of reliable open-source tools for analyzing large volumes of spectra contributes to this situation, which is poised to worsen as large surveys successively release orders of magnitude more spectra. In this article I introduce sick, the spectroscopic inference crank, a flexible and fast Bayesian tool for inferring astrophysical parameters from spectra. sick is agnostic to the wavelength coverage, resolving power, or general data format, allowing any user to easily construct a generative model for their data, regardless of its source. sick can be used to provide a nearest-neighbor estimate of model parameters, a numerically optimized point estimate, or full Markov Chain Monte Carlo sampling of the posterior probability distributions. This generality empowers any astronomer to capitalize on the plethora of published synthetic and observed spectra, and make precise inferences for a host of astrophysical (and nuisance) quantities. Model intensities can be reliably approximated from existing grids of synthetic or observed spectra using linear multi-dimensional interpolation, or a Cannon-based model. Additional phenomena that transform the data (e.g., redshift, rotational broadening, continuum, spectral resolution) are incorporated as free parameters and can be marginalized away. Outlier pixels (e.g., cosmic rays or poorly modeled regimes) can be treated with a Gaussian mixture model, and a noise model is included to account for systematically underestimated variance. Combining these phenomena into a scalar-justified, quantitative model permits precise inferences with credible uncertainties on noisy data. I describe the common model features, the implementation details, and the default behavior, which is balanced to be suitable for most astronomical applications. Using a forward model on low-resolution, high signal-to-noise ratio spectra of M67 stars reveals atomic diffusion processes on the order of 0.05 dex, previously only measurable with differential analysis techniques in high-resolution spectra. sick is easy to use, well-tested, and freely available online through GitHub under the MIT license.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRSDate not supplied

Enhancing NASA Earth Science Data Discovery from Scientific Publications

Earth observations from space borne instruments have evolved explosively in the past decades. Following closely are reanalysis systems assimilating model and observational data, yielding even longer records and larger number of variables. Thanks to advances in internet technology, it is now easier than ever to visualize and analyze these data using web interfaces. On the other hand, it also becomes an increasingly daunting task to build upon the existing knowledge published in various peer reviewed sources, and navigate toward the most relevant data, analysis, and visualization. We present an analysis of a subset of publications that utilized a popular visualization web interface at the NASA Goddard Earth Science Data and Information Services Center. Known as "Giovanni", it allows researchers from wide backgrounds to work with hundreds of variables from space observations and assimilation systems. Since coming online more than a decade ago, Giovanni has been credited in more than 100 papers per year, and the total count now is estimated to be nearly 1,500. Many of these papers contain valuable information about when, where and how Giovanni has been used, and hence forge an opportunity to learn and share the knowledge of which variables were used for what research projects. The purpose of our work is to retrieve the information from the papers and organize it as a knowledge repository which links together datasets, variables, places, dates and phenomena all of which reflect the essence of the published research. Since the publications are unstructured texts, we use natural language processing along with machine learning methods in the retrieval process. One of the challenges is deciphering the dataset names, because in many cases researchers refer to variables, rather than the datasets containing them. To constrain the number of terms, we deploy Earth Science ontologies as dictionaries for the term extraction. We demonstrate that storing these terms and underlying ontologies, along with datasets, variables and papers in the knowledge graph database, enables various linkages between all these entities facilitating the data discovery. Thus, we are setting a qualitatively new stage in improvements of web data interfaces, where machine learning techniques are used to establish and optimize usage-based discovery of data.

Irina V Gerasimov↗
DOE OSTI2022

SBbadger: biochemical reaction networks with definable degree distributions

Abstract Motivation An essential step in developing computational tools for the inference, optimization and simulation of biochemical reaction networks is gauging tool performance against earlier efforts using an appropriate set of benchmarks. General strategies for the assembly of benchmark models include collection from the literature, creation via subnetwork extraction and de novo generation. However, with respect to biochemical reaction networks, these approaches and their associated tools are either poorly suited to generate models that reflect the wide range of properties found in natural biochemical networks or to do so in numbers that enable rigorous statistical analysis. Results In this work, we present SBbadger, a python-based software tool for the generation of synthetic biochemical reaction or metabolic networks with user-defined degree distributions, multiple available kinetic formalisms and a host of other definable properties. SBbadger thus enables the creation of benchmark model sets that reflect properties of biological systems and generate the kinetics and model structures typically targeted by computational analysis and inference software. Here, we detail the computational and algorithmic workflow of SBbadger, demonstrate its performance under various settings, provide sample outputs and compare it to currently available biochemical reaction network generation software. Availability and implementation SBbadger is implemented in Python and is freely available at https://github.com/sys-bio/SBbadger and via PyPI at https://pypi.org/project/SBbadger/. Documentation can be found at https://SBbadger.readthedocs.io. Supplementary information Supplementary data are available at Bioinformatics online.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2012

Space Operations Learning Center

The Space Operations Learning Center (SOLC) is a tool that provides an online learning environment where students can learn science, technology, engineering, and mathematics (STEM) through a series of training modules. SOLC is also an effective media for NASA to showcase its contributions to the general public. SOLC is a Web-based environment with a learning platform for students to understand STEM through interactive modules in various engineering topics. SOLC is unique in its approach to develop learning materials to teach schoolaged students the basic concepts of space operations. SOLC utilizes the latest Web and software technologies to present this educational content in a fun and engaging way for all grade levels. SOLC uses animations, streaming video, cartoon characters, audio narration, interactive games and more to deliver educational concepts. The Web portal organizes all of these training modules in an easily accessible way for visitors worldwide. SOLC provides multiple training modules on various topics. At the time of this reporting, seven modules have been developed: Space Communication, Flight Dynamics, Information Processing, Mission Operations, Kids Zone 1, Kids Zone 2, and Save The Forest. For the first four modules, each contains three components: Flight Training, Flight License, and Fly It! Kids Zone 1 and 2 include a number of educational videos and games designed specifically for grades K-6. Save The Forest is a space operations mission with four simulations and activities to complete, optimized for new touch screen technology. The Kids Zone 1 module has recently been ported to Facebook to attract wider audience.

Lui, Ben↗
DOE OSTI2020

A robust dynamic state estimation approach against model errors caused by load changes

Dynamic state estimation (DSE) plays an important role in power system security monitoring and online control. In practice, there are two approaches to implementing DSE. The first approach is distributed DSE, which is based on the assumption that the terminal bus of each generator can be measured by PMUs (phasor measurement units). The assumption cannot be satisfied currently, however, because PMUs usually are installed at important high-voltage buses such as 500-kV buses installed in portions of the grid overseen by the Western Electricity Coordinating Council. Another issue of this approach is that performance of DSE is vulnerable to bad measurement data. The reason for this vulnerability is that DSE is performed separately through measurements at each terminal bus, and measurements at terminal buses are the only measurement upon which DSE can rely. Therefore, important redundant measurements are not included in this approach. The second approach is centralized DSE. This approach does not have the requirement for PMU location, and redundant measurements can be considered fully. However, load changes and grid topology changes impact centralized DSE. In this paper, we propose a new approach for handling the impact of load changes on DSE. We have developed a new algorithm that includes two sequential steps. In the first step, errors caused by load changes are detected by analyzing the difference between prediction results and measured results. In the second step, once model error is detected, a model optimization procedure is run to correct the error so the state estimation error can be mitigated. Simulation results from the IEEE 68 bus system show that the proposed approach can effectively handle model errors caused by load changes.

robust dynamic state estimation, load change, powe↗
DOE OSTI2024

High Temperature Copper Metallization: Demand, Hurdles and Reliability

As newer cells structures come online, the pressing need to replace silver in the metallization pastes has renewed interest in alternative technologies employing base metals. Copper typically leads the charge with its abundance and lower cost but has faced numerous obstacles from relatively higher oxidation and diffusion rates which can damage the lifetime of the devices. In this study, a low-cost alternative to silver metallization pastes has been shown on PERC cells. The screen printable copper paste can be fired in air at temperatures >500 degrees C, and the impact of processing conditions and equipment on the performance and reliability of 274 cm2 cells have been evaluated. Through damp heat testing of micro-modules using 16 cm2 cells, routes that can lead to both the failure and success of durable contacts have been demonstrated.

copper↗
DOE OSTI2021

Oilwell Conversion (Well API 121913310501) to Geothermal Heat Storage Well for Flexible Electricity Storage

Geothermal growth is limited by a lack of geographically dispersed high-temperature thermal resources and high initial upfront investment in characterization and well construction. This project intended to address the challenges of energy supply intermittency and enhance grid resilience, reliability, and energy security by storing energy provided from currently available renewable resources in the subsurface to harvest it a later time during at-peak energy demand. This project intended to improve geothermal adoption, reduce initial project risk, and improve price competitiveness through utilizing existing oil and gas infrastructure such as non-productive wells, non-economic fields, dry holes, and orphaned wells. The project also intended to address the lack of geographically dispersed thermal resources and enhance grid resilience, reliability, and energy security by introducing an economical method for storing energy from currently available renewable resources in the subsurface for usage during at-peak energy demand. During this research, the project furthered the understanding of the feasibility of utilizing abandoned oil and gas wells as geothermal heat storage wells. The project team investigated the heat storage and hydrogeological characteristics of subsurface reservoirs in the Illinois Basin to evaluate their response to heat injection for determining the evolution of temperature profiles and heat losses over time using existing and available data sets. The project team then performed modeling and simulation to evaluate the heat losses of returning fluids during heat extraction. The outputs were used to select an optimal candidate reservoir and location in Southern Illinois. The team designed and performed a small-scale field test in an existing oil well to refine the model and to demonstrate the permitting and regulatory pathways necessary for the conversion of oil and gas assets to geothermal use. The field test also serves as a proof of concept and can guide the procedures for future research and implementation. Additionally, the project team, conducted initial market research and customer discovery to develop a go to market strategy for an Advanced Geothermal Energy Storage (AGES) system. The project team in this research also identified the parameters to be refined in future research, to improve the current go to market strategy economic model. To this end several subject matter experts were also identified to assist in future research with geothermal infrastructure setup, energy storage policy and law, energy storage market demand, potential siting based on demand etc. Future research will involve further sophistication of the site commercial modeling, implementing a larger-scale test, and further refinement of the thermodynamic modeling/simulation process. The output will be lifecycle costs and economics suitable for comparison to alternative approaches from a validated full-scale demonstration for venture capital investment into this technology. The project successfully demonstrated the ability to leverage existing oilfield infrastructure, permits, and land access and leasing agreements, to enable geothermal storage projects to come online faster and cheaper than a greenfield development could. This technology could allow for greater energy independence and security through long-term energy storage solutions. The longer duration allows for greater storage for renewables currently limited by hours-long storage durations of lithium-ion. The AGES system would support the growth of renewable energy farms, and provide greater opportunities for a cleaner energy infrastructure.

15 GEOTHERMAL ENERGY↗
DOE OSTI2016

SU-C-BRA-03: An Automated and Quick Contour Errordetection for Auto Segmentation in Online Adaptive Radiotherapy

Purpose: To develop a tool that can quickly and automatically assess contour quality generated from auto segmentation during online adaptive replanning. Methods: Due to the strict time requirement of online replanning and lack of ‘ground truth’ contours in daily images, our method starts with assessing image registration accuracy focusing on the surface of the organ in question. Several metrics tightly related to registration accuracy including Jacobian maps, contours shell deformation, and voxel-based root mean square (RMS) analysis were computed. To identify correct contours, additional metrics and an adaptive decision tree are introduced. To approve in principle, tests were performed with CT sets, planned and daily CTs acquired using a CT-on-rails during routine CT-guided RT delivery for 20 prostate cancer patients. The contours generated on daily CTs using an auto-segmentation tool (ADMIRE, Elekta, MIM) based on deformable image registration of the planning CT and daily CT were tested. Results: The deformed contours of 20 patients with total of 60 structures were manually checked as baselines. The incorrect rate of total contours is 49%. To evaluate the quality of local deformation, the Jacobian determinant (1.047±0.045) on contours has been analyzed. In an analysis of rectum contour shell deformed, the higher rate (0.41) of error contours detection was obtained compared to 0.32 with manual check. All automated detections took less than 5 seconds. Conclusion: The proposed method can effectively detect contour errors in micro and macro scope by evaluating multiple deformable registration metrics in a parallel computing process. Future work will focus on improving practicability and optimizing calculation algorithms and metric selection.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

Robust online monitoring for calibration assessment of transmitters and instrumentation - 260

Robust online monitoring (OLM) technologies are expected to enable the extension or elimination of periodic sensor calibration intervals in operating and new reactors. Advances in OLM technologies will improve the safety and reliability of current and planned nuclear power systems through improved accuracy and increased reliability of sensors used to monitor key parameters. In this paper, we discuss an overview of research being performed within the Nuclear Energy Enabling Technologies (NEET)/Advanced Sensors and Instrumentation (ASI) program, for the development of OLM algorithms to use sensor outputs and, in combination with other available information, 1) determine whether one or more sensors are out of calibration or failing and 2) replace a failing sensor with reliable, accurate sensor outputs. A Gaussian Process (GP)-based uncertainty quantification (UQ) method previously developed for UQ in OLM, was adapted for this purpose. The resulting models are being evaluated for use in high-confidence signal validation for the purpose of detecting and diagnosing sensor faults, and for computing virtual sensor outputs that may be used as a temporary replacement for failing sensors. In addition to assessing sensor drift, approaches for extracting sensor response time in an automated fashion were developed, for monitoring changes in sensor response time in pressure transmitters. Such changes are also indicative of various fault modes. These algorithms were evaluated with existing measurement data from several laboratory-scale flow loops. Ongoing research in this project is focused on further evaluation of the algorithms, optimization for accuracy and computational efficiency, and integration into a suite of tools for robust OLM that are applicable to monitoring sensor calibration state in nuclear power plants. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Systems Biology-Based Optimization of Extremely Thermophilic Lignocellulose Conversion to Bioproducts

This was a collaborative project involving researchers at the University of Georgia, North Carolina State University, Sanford‐Burnham‐Prebys Med. Discovery Institute and the University of Rhode Island. The over-arching goal was to demonstrate that non-model microorganisms, specifically extreme thermophiles, can be a strategic metabolic engineering platform for industrial biotechnology. We engineered the most thermophilic lignocellulose-degrading organism known, Caldicellulosiruptor bescii (Cbes) , which grows optimally near 80°C, and the most thermophilic fermentative organism known, Pyrococcus furiosus (Pfu) , which grows optimally at 100°C, to produce several key industrial chemicals. This work leveraged recent breakthrough advances in the development of molecular genetic tools for these organisms, complemented by a deep understanding of its metabolism and physiology gained over the past decade of study in the PIs’ laboratories. We applied the latest metabolic reconstruction and modeling approaches to optimize biomass to product conversion. Bio-processing above 70°C can have important advantages over near-ambient operations. Highly genetically-modified microorganisms usually have a fitness disadvantage and can be easily overtaken in culture when contaminating microbes are present. The high growth temperature of extreme thermophiles precludes growth or survival of virtually any contaminating organism or phage. This reduces operating costs associated with reactor sterilization and maintaining a sterile facility. In addition, at industrial scales, heat production from microbial metabolic activity vastly outweighs heat loss through bioreactor walls such that cooling is required. Extreme thermophiles have the advantage that non-refrigerated cooling water can be used if needed, and heating requirements can be met with low-grade steam typically in excess capacity on plant sites. We assembled a highly interdisciplinary team that brought together all of the expertise for the project to have successful outcomes. This project also built upon and utilized extensive information already available in the PIs’ labs for both Cbes and Pfu to develop models that provide a comprehensive description of these organisms’ physiology and metabolism that were utilized to inform metabolic engineering strategies. The models were validated with experimental data and the results demonstrated that unpretreated lignocellulose has the potential to be converted into value-added industrial chemicals at high loading at bioreactor scale. The data generated from this research were published in twenty-one peer-reviewed papers in international journals with online access.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2019

PRIMA-X - Performance Retargeting of Instrumentation, Measurement, and Analysis Technologies for Exascale Computing

The PRIMA-X (Performance Retargeting of Instrumentation, Measurement, and Analysis Technologies for Exascale Computing) project is the successor of the DOE PRIMA (Performance Refactoring of Instrumentation, Measurement, and Analysis Technologies for Petascale Computing) project, which addressed the challenge of creating a core measurement infrastructure that would serve as a common platform for both integrating leading parallel performance systems (notably TAU and Scalasca) and developing next-generation scalable performance tools. The PRIMA-X project shifts the focus away from refactorization of robust performance tools towards a re-targeting of the parallel performance measurement and analysis architecture for extreme scales. The massive concurrency, asynchronous execution dynamics, hardware heterogeneity, and multi-objective prerequisites (performance, power, resilience) that identify exascale systems introduce fundamental constraints on the ability to carry forward existing performance methodologies. In particular, there must be a deemphasis of per-thread observation techniques to significantly reduce the otherwise unsustainable flood of redundant performance data. Instead, it will be necessary to assimilate multi-level resource observations into macroscopic performance views, from which resilient performance metrics can be attributed to the computational features of the application. This requires a scalable framework for node-level and system-wide monitoring and runtime analyses of dynamic performance information. Also, the interest in optimizing parallelism parameters with respect to performance and energy drives the integration of tool capabilities in the exascale environment further. Initially, PRIMA-X was a collaborative project between the University of Oregon (lead institution) and the German Research School for Simulation Sciences (GRS). Because Prof. Wolf, the PI at GRS, accepted a position as full professor at Technische Universitaet Darmstadt (TU Darmstadt) starting February 1st, 2015, the work of GRS was continued at TU Darmstadt. This report covers the work at TU Darmstadt after the transition. The first main accomplishment of TU Darmstadt is the development of different techniques to aggregate performance data on the level of threads. TU Darmstadt evaluated different schemes designed at GRS during the first phase of this project and integrated them into Score-P, a widely used performance measurement framework for HPC applications. The second main accomplishment is a substantial increase of Score-P’s scalability, achieved by improving its internal representation of the underlying system. Third, we extended our performance-modeling tool Extra-P to automatically create models with more than one input parameter (e.g., process count and input size), which was previously impossible. These models allow the performance behavior of an application to be extrapolated to larger machines. Specific applications of the new multi-parameter capability realized in this project include modeling the isoefficiency function of task-based applications and a novel co-design methodology. Further extensions of Extra-P comprise online modeling functionality, automatic refinement of the model search space, and segmented performance modeling. Further contributions include new locality metrics for both shared- and distributed-memory applications, a new way of measuring the impact of inter-application inference on the execution time of an application, and finally an automatic method that selects appropriate OpenMP constructs for the parallelization of sequential code and classifies the affected variables based on their sharing semantics.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

FPGA-accelerated SpeckleNN with SNL for real-time X-ray single-particle imaging

We present the implementation of a specialized version of our previously published unified embedding model, SpeckleNN, for real-time speckle pattern classification in X-ray Single-Particle Imaging (SPI), using the SLAC Neural Network Library (SNL) on an FPGA platform. This hardware realization transitions SpeckleNN from a prototypic model into a practical edge solution, optimized for running inference near the detector in high-throughput X-ray free-electron laser (XFEL) facilities, such as those found at the Linac Coherent Light Source (LCLS). To address the resource constraints inherent in FPGAs, we developed a more specialized version of SpeckleNN. The original model, which was designed for broader classification across multiple biological samples, comprised ~5.6 million parameters. The new implementation, while reducing the parameter count to 64.6K (a 98.8% reduction), focuses on maintaining the model's essential functionality for real-time operation, achieving an accuracy of 90%. Furthermore, we compressed the latent space from 128 to 50 dimensions. This implementation was demonstrated on the KCU1500 FPGA board, utilizing 71% of available DSPs, 75% of LUTs, and 48% of FFs, with an average power consumption of 9.4W according to the Vivado post-implementation report. The FPGA performed inference on a single image with a latency of 45.015 microseconds at a 200 MHz clock rate. In comparison, running the same inference on an NVIDIA A100 GPU resulted in an average power consumption of ~73W and an image processing latency of around 400 microseconds. Our FPGA-accelerated version of SpeckleNN demonstrated significant improvements, achieving an 8.9 × speedup and a 7.8 × reduction in power consumption compared to the GPU implementation. Key advancements include model specialization and dynamic weight loading through SNL, which eliminates the need for time-consuming FPGA design re-synthesis, allowing fast and continuous deployment of models (re)trained online. These innovations enable real-time adaptive classification and efficient vetoing of speckle patterns, making SpeckleNN more suited for deployment in XFEL facilities. This implementation has the potential to significantly accelerate SPI experiments and enhance adaptability to evolving experimental conditions.

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