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DOE OSTI2024

Developing multi-gene CRISPRa/i programs to accelerate DBTL cycles in ABF hosts engineered for chemical production

This project developed and implemented a modular CRISPR activation and interference (CRISPRa/i) platform to accelerate strain optimization and pathway development for industrially relevant microbial hosts. By integrating multiplexed transcriptional perturbation tools with data-driven Design–Build–Test–Learn (DBTL) workflows, the team achieved reductions in cycle time and enhanced production of industrial aromatics, particularly 4-aminocinnamic acid (4-ACA), in Pseudomonas putida. Key accomplishments included: ● Development of a robust, tunable CRISPRa/i system in P. putida that enabled efficient multi-target gene regulation via guide RNA (gRNA) programs ● Completion of two full DBTL cycles, guided by machine learning (ML) models trained on transcriptomic and performance data, reducing engineering time by over 30% ● Optimization of multi-gene regulatory programs to balance expression of host and pathway modules, improve 4-ACA titers, and resolve metabolic bottlenecks ● Demonstration of system portability through a limited proof-of-concept extension in Acinetobacter baylyi, underscoring the generalizability of the approach ● Evaluation of strain performance on lignocellulosic biomass-derived substrates, demonstrating the feasibility of converting renewable carbon into aromatic building blocks These results illustrate the feasibility of applying ML-guided CRISPRa/i perturbation strategies to accelerate strain development in complex microbial systems. The resulting tools and datasets contribute to DOE objectives by improving platform predictability, reducing development costs, and enabling broader access to sustainable, economically viable bioproduction technologies.

09 BIOMASS FUELS↗

NASA NTRS1947

High-Altitude Flight Cooling Investigation of a Radial Air-Cooled Engine

An investigation of the cooling of an 18-cylinder, twin-row, radial, air-cooled engine in a high-performance pursuit airplane has been conducted for variable engine and flight conditions at altitudes ranging from 5000 to 35,000 feet in order to provide a basis for predicting high-altitude cooling performance from sea-level or low altitude experimental results. The engine cooling data obtained were analyzed by the usual NACA cooling-correlation method wherein cylinder-head and cylinder-barrel temperatures are related to the pertinent engine and cooling-air variables. A theoretical analysis was made of the effect on engine cooling of the change of density of the cooling air across the engine (the compressibility effect), which becomes of increasing importance as altitude is increased. Good agreement was obtained between the results of the theoretical analysis and the experimental data.

Manganiello, Eugene J↗

NASA NTRS2016

Exploration Clinical Decision Support System: Medical Data Architecture

The Exploration Clinical Decision Support (ECDS) System project is intended to enhance the Exploration Medical Capability (ExMC) Element for extended duration, deep-space mission planning in HRP. A major development guideline is the Risk of "Adverse Health Outcomes & Decrements in Performance due to Limitations of In-flight Medical Conditions". ECDS attempts to mitigate that Risk by providing crew-specific health information, actionable insight, crew guidance and advice based on computational algorithmic analysis. The availability of inflight health diagnostic computational methods has been identified as an essential capability for human exploration missions. Inflight electronic health data sources are often heterogeneous, and thus may be isolated or not examined as an aggregate whole. The ECDS System objective provides both a data architecture that collects and manages disparate health data, and an active knowledge system that analyzes health evidence to deliver case-specific advice. A single, cohesive space-ready decision support capability that considers all exploration clinical measurements is not commercially available at present. Hence, this Task is a newly coordinated development effort by which ECDS and its supporting data infrastructure will demonstrate the feasibility of intelligent data mining and predictive modeling as a biomedical diagnostic support mechanism on manned exploration missions. The initial step towards ground and flight demonstrations has been the research and development of both image and clinical text-based computer-aided patient diagnosis. Human anatomical images displaying abnormal/pathological features have been annotated using controlled terminology templates, marked-up, and then stored in compliance with the AIM standard. These images have been filtered and disease characterized based on machine learning of semantic and quantitative feature vectors. The next phase will evaluate disease treatment response via quantitative linear dimension biomarkers that enable image content-based retrieval and criteria assessment. In addition, a data mining engine (DME) is applied to cross-sectional adult surveys for predicting occurrence of renal calculi, ranked by statistical significance of demographics and specific food ingestion. In addition to this precursor space flight algorithm training, the DME will utilize a feature-engineering capability for unstructured clinical text classification health discovery. The ECDS backbone is a proposed multi-tier modular architecture providing data messaging protocols, storage, management and real-time patient data access. Technology demonstrations and success metrics will be finalized in FY16.

Biomedical support↗

DOE OSTI2015

Scientific Computing Strategic Plan for the Idaho National Laboratory

Scientific computing is a critical foundation of modern science. Without innovations in the field of computational science, the essential missions of the Department of Energy (DOE) would go unrealized. Taking a leadership role in such innovations is Idaho National Laboratory’s (INL’s) challenge and charge, and is central to INL’s ongoing success. Computing is an essential part of INL’s future. DOE science and technology missions rely firmly on computing capabilities in various forms. Modeling and simulation, fueled by innovations in computational science and validated through experiment, are a critical foundation of science and engineering. Big data analytics from an increasing number of widely varied sources is opening new windows of insight and discovery. Computing is a critical tool in education, science, engineering, and experiments. Advanced computing capabilities in the form of people, tools, computers, and facilities, will position INL competitively to deliver results and solutions on important national science and engineering challenges. A computing strategy must include much more than simply computers. The foundational enabling component of computing at many DOE national laboratories is the combination of a showcase like data center facility coupled with a very capable supercomputer. In addition, network connectivity, disk storage systems, and visualization hardware are critical and generally tightly coupled to the computer system and co located in the same facility. The existence of these resources in a single data center facility opens the doors to many opportunities that would not otherwise be possible.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1995

Computing Properties Of Chemical Mixtures At Equilibrium

Scientists and engineers need data on chemical equilibrium compositions to calculate theoretical thermodynamic properties of chemical systems. Information essential in design and analysis of such equipment as compressors, turbines, nozzles, engines, shock tubes, heat exchangers, and chemical-processing equipment. CET93 is general program that calculates chemical equilibrium compositions and properties of mixtures for any chemical system for which thermodynamic data are available. Includes thermodynamic data for more than 1,300 gaseous and condensed species and thermal-transport data for 151 gases. Written in FORTRAN 77.

Mcbride, B. J.↗

NASA NTRS2005

Advanced Health Management Algorithms for Crew Exploration Applications

Achieving the goals of the President's Vision for Exploration will require new and innovative ways to achieve reliability increases of key systems and sub-systems. The most prominent approach used in current systems is to maintain hardware redundancy. This imposes constraints to the system and utilizes weight that could be used for payload for extended lunar, Martian, or other deep space missions. A technique to improve reliability while reducing the system weight and constraints is through the use of an Advanced Health Management System (AHMS). This system contains diagnostic algorithms and decision logic to mitigate or minimize the impact of system anomalies on propulsion system performance throughout the powered flight regime. The purposes of the AHMS are to increase the probability of successfully placing the vehicle into the intended orbit (Earth, Lunar, or Martian escape trajectory), increase the probability of being able to safely execute an abort after it has developed anomalous performance during launch or ascent phases of the mission, and to minimize or mitigate anomalies during the cruise portion of the mission. This is accomplished by improving the knowledge of the state of the propulsion system operation at any given turbomachinery vibration protection logic and an overall system analysis algorithm that utilizes an underlying physical model and a wide array of engine system operational parameters to detect and mitigate predefined engine anomalies. These algorithms are generic enough to be utilized on any propulsion system yet can be easily tailored to each application by changing input data and engine specific parameters. The key to the advancement of such a system is the verification of the algorithms. These algorithms will be validated through the use of a database of nominal and anomalous performance from a large propulsion system where data exists for catastrophic and noncatastrophic propulsion sytem failures.

Davidson, Matt↗

DOE OSTI2026

Leveraging large language models to address data scarcity in machine learning for graphene synthesis

Machine learning in experimental materials science faces significant challenges due to the scarcity of data, which are costly and time-consuming to generate, particularly when relying on in-house experiments. Literature data mining offers a potential solution but introduces issues like mixed data quality, inconsistent formats, and non-uniform reporting of synthesis parameters, resulting in partially missing and heterogeneous features across the dataset. Here, we propose data imputation and feature engineering methods that employ pre-trained large language models (LLMs) to enhance machine learning performance on scarce, heterogeneous datasets, demonstrated on graphene CVD synthesis data and the ML-HydPARK hydrogen storage dataset. GPT models perform data imputation via tailored prompting and semantic normalization of inconsistently reported features through embeddings, for example, to harmonize the complex nomenclature of CVD substrates. Beyond yielding more diverse and richer feature representations than traditional methods such as K-nearest neighbors (KNN) and Multivariate Imputation by Chained Equations (MICE), LLM-based data imputation is evaluated against dataset characteristics and prompting strategies. We vary the level of autonomy granted to the LLM, from generic prompting that leverages pre-trained knowledge for autonomous data generation to data-informed prompting that constrains outputs using target-specific information, and demonstrate which level of autonomy yields superior imputation performance across datasets and feature types. The proposed data engineering methods markedly improve downstream performance; for example, in graphene layer number classification using a support vector machine (SVM), binary accuracy increases from 39% to 65% and ternary accuracy from 52% to 72%. Fine-tuning experiments on both datasets show that combining our proposed LLM-based data imputation and feature encoding methods with numerical machine learning predictors outperforms standalone fine-tuned LLM predictors in data-scarce settings. The proposed strategies emphasize data enhancement techniques rather than refining learning architectures or regularizing loss functions, offering a broadly applicable framework for improving machine learning performance on scarce, inhomogeneous datasets.

Chemical vapor deposition↗

DOE OSTI2015

Brief 74 Nuclear Engineering Enrollments and Degrees Survey, 2014 Data

The 2014 survey includes degrees granted between September 1, 2013 and August 31, 2014, and enrollments for fall 2014. There are three academic programs new to this year's survey. Thirty-five academic programs reported having nuclear engineering programs during 2014, and data were provided by all thirty-five. The enrollments and degrees data include students majoring in nuclear engineering or in an option program equivalent to a major. Two nuclear engineering programs have indicated that health physics option enrollments and degrees are also reported in the health physics enrollments and degrees survey.

99 GENERAL AND MISCELLANEOUS↗

NASA NTRS2010

Propulsion Health Monitoring of a Turbine Engine Disk Using Spin Test Data

This paper considers data collected from an experimental study using high frequency capacitive sensor technology to capture blade tip clearance and tip timing measurements in a rotating turbine engine-like-disk-to predict the disk faults and assess its structural integrity. The experimental results collected at a range of rotational speeds from tests conducted at the NASA Glenn Research Center s Rotordynamics Laboratory are evaluated using multiple data-driven anomaly detection techniques to identify abnormalities in the disk. Further, this study presents a select evaluation of an online health monitoring scheme of a rotating disk using high caliber sensors and test the capability of the in-house spin system.

Abdul-Aziz, Ali↗

NASA NTRS1977

A method to estimate weight and dimensions of aircraft gas turbine engines. Volume 1: Method of analysis

Weight and envelope dimensions of aircraft gas turbine engines are estimated within plus or minus 5% to 10% using a computer method based on correlations of component weight and design features of 29 data base engines. Rotating components are estimated by a preliminary design procedure where blade geometry, operating conditions, material properties, shaft speed, hub-tip ratio, etc., are the primary independent variables used. The development and justification of the method selected, the various methods of analysis, the use of the program, and a description of the input/output data are discussed.

Pera, R. J.↗

NASA NTRS2000

Aerospike Engine Post-Test Diagnostic System Delivered to Rocketdyne

The NASA Glenn Research Center at Lewis Field, in cooperation with Rocketdyne, has designed, developed, and implemented an automated Post-Test Diagnostic System (PTDS) for the X-33 linear aerospike engine. The PTDS was developed to reduce analysis time and to increase the accuracy and repeatability of rocket engine ground test fire and flight data analysis. This diagnostic system provides a fast, consistent, first-pass data analysis, thereby aiding engineers who are responsible for detecting and diagnosing engine anomalies from sensor data. It uses analytical methods modeled after the analysis strategies used by engineers. Glenn delivered the first version of PTDS in September of 1998 to support testing of the engine s power pack assembly. The system was used to analyze all 17 power pack tests and assisted Rocketdyne engineers in troubleshooting both data acquisition and test article anomalies. The engine version of PTDS, which was delivered in June of 1999, will support all single-engine, dual-engine, and flight firings of the aerospike engine.

Meyer, Claudia M.↗

NASA NTRS2006

Discerning Trends in Performance Across Multiple Events

Mass Data is a computer program that enables rapid, easy discernment of trends in performance data across multiple flights and ground tests. The program can perform Fourier analysis and other functions for the purposes of frequency analysis and trending of all variables. These functions facilitate identification of past use of diagnosed systems and of anomalies in such systems, and enable rapid assessment of related current problems. Many variables, for computation of which it is usually necessary to perform extensive manual manipulation of raw downlist data, are automatically computed and made available to all users, regularly eliminating the need for what would otherwise be an extensive amount of engineering analysis. Data from flight, ground test, and simulation are preprocessed and stored in one central location for instantaneous access and comparison for diagnostic and trending purposes. Rules are created so that an event log is created for every flight, making it easy to locate information on similar maneuvers across many flights. The same rules can be created for test sets and simulations, and are searchable, so that information on like events is easily accessible.

Slater, Simon↗

DOE OSTI2017

Sustained Low Temperature NOx Reduction

Increasing regulatory, environmental, and customer pressure in recent years led to substantial improvements in the fuel efficiency of diesel engines, including the remarkable breakthroughs demonstrated through the Super Truck program supported by the U.S. Department of Energy (DOE). On the other hand, these improvements have translated into a reduction of exhaust gas temperatures, thus further complicating the task of controlling NOx emissions, especially in low power duty cycles. The need for improved NOx conversion over these low temperature duty cycles is also observed as requirements tighten with in-use emissions testing. Sustained NOx reduction at low temperatures, especially in the 150-200oC range, shares some similarities with the more commonly discussed cold-start challenge, however poses a number of additional and distinct technical problems. In this project we set a bold target of achieving and maintaining a 90% NOx conversion at the SCR catalyst inlet temperature of 150oC. The project is intended to push the boundaries of the existing technologies, while staying within the realm of realistic future practical implementation. In order to meet the resulting challenges at the levels of catalyst fundamentals, system components, and system integration, Cummins has partnered with the DOE, Johnson Matthey, and Pacific Northwest National Lab and initiated the Sustained Low-Temperature NOx Reduction program at the beginning of 2015. Through this collaboration, we are exploring catalyst formulations and catalyst architectures with enhanced catalytic activity at 150°C; opportunities to approach the desirable ratio of NO and NO2 in the SCR feed gas; options for robust low-temperature reductant delivery; and the requirements for overall system integration. The program is expected to deliver an on-engine demonstration of the technical solution and an assessment of its commercial potential. In the SAE meeting, we will share the initial performance data on engine to highlight the path to achieve 90% NOx conversion at the SCR inlet temperature of 150oC.

Zha, Yuhui↗

DOE OSTI2015

Building a Cyberinfrastructure for Environmental System Science: Modeling Frameworks, Data Management, and Scientific Workflows, Workshop Report, Potomac, Maryland, April 30-May 1, 2015

The Environmental System Science (ESS) activity within the Department of Energy’s (DOE) Office of Biological and Environmental Research (BER) seeks to advance a robust, predictive understanding of terrestrial environments, extending from bedrock to the top of the vegetative canopy and from molecular to global scales, through an iterative cycle of model-driven experimentation and observation dubbed MODEX. Considerable progress has been made toward achieving this overarching goal, but widely recognized is the fragmentation across projects and disciplines of the relevant modeling and simulation capabilities, observational and experimental data, analysis algorithms, and workflow tools. This fragmentation creates significant challenges for studying impacts and feedbacks in these complex multiscale systems. These challenges are further exacerbated by ongoing disruptive changes in high-performance computational architectures and the exponential growth in the types and volume of data that render obsolete the conventional approaches to software development and data management. Overcoming these challenges will require the development of a BER Climate and Environmental Sciences Division (CESD)–wide enabling cyberinfrastructure to support data management, cross-domain modeling, data analysis, and collaborative research. To explore the potential for working groups to initiate and guide a more integrated and community-based cyberinfrastructure, BER held the ESS Workshop on Model-Data Integration: Modeling Frameworks, Data Management, and Scientific Workflows on April 30-May 1, 2015, following the ESS Principal Investigator Meeting in Potomac, Maryland. Participants included model developers, software engineers, and data management specialists from eight national laboratories, which represented a wide range of projects and programs from CESD as well as cross-cutting projects from DOE’s Office of Advanced Scientific Computing Research (ASCR; both BER and ASCR are operated from within DOE’s Office of Science). A series of plenary talks provided background information and clarified the workshop’s three objectives: (1) develop requirements for this community-based cyberinfrastructure to ensure enhanced scientific productivity of the community as a whole; (2) identify challenges associated with developing this new cyberinfrastructure using a phased approach guided by project-driven use cases; and, given these requirements and challenges, (3) chart a path forward for ESS working groups to lead the phased development of the new cyberinfrastructure.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2015

Design and Test of a Liquid Oxygen / Liquid Methane Thruster with Cold Helium Pressurization Heat Exchanger

A liquid oxygen / liquid methane 2,000 lbf thruster was designed and tested in conjuction with a nozzle heat exchanger for cold helium pressurization. Cold helium pressurization systems offer significant spacecraft vehicle dry mass savings since the pressurant tank size can be reduced as the pressurant density is increased. A heat exchanger can be incorporated into the main engine design to provide expansion of the pressurant supply to the propellant tanks. In order to study the systems integration of a cold-helium pressurization system, a 2,000 lbf thruster with a nozzle heat exchanger was designed for integration into the Project Morpheus vehicle at NASA Johnson Space Center. The testing goals were to demonstrate helium loading and initial conditioning to low temperatures, high-pressure/low temperature storage, expansion through the main engine heat exchanger, and propellant tank injection/pressurization. The helium pressurant tank was an existing 19 inch diameter composite-overwrap tank, and the targert conditions were 4500 psi and -250 F, providing a 2:1 density advantage compared to room tempatrue storage. The thruster design uses like-on-like doublets in the injector pattern largely based on Project Morpheus main engine hertiage data, and the combustion chamber was designed for an ablative chamber. The heat exchanger was installed at the ablative nozzle exit plane. Stand-alone engine testing was conducted at NASA Stennis Space Center, including copper heat-sink chambers and highly-instrumented spoolpieces in order to study engine performance, stability, and wall heat flux. A one-dimensional thermal model of the integrated system was completed. System integration into the Project Morpheus vehicle is complete, and systems demonstrations will follow.

Melcher, John C.↗

DOE OSTI2013

Guide to Minimizing Compressor-based Cooling in Data Centers

This best practice guide is one in a series created by the Lawrence Berkeley National Laboratory for the Federal Energy Management Program (FEMP), a program of the U.S. Department of Energy. Geared towards architects, engineers, and data center Information Technology (IT) and facility managers, this guide provides information about technologies and practices to use in designing, constructing, and operating sustainable high-performance data centers.

Guide, Minimizing, Compressor-based, Cooling, Data↗

DOE OSTI2024

Geospatial Data Platform for All

Spatiotemporal data has evolved in scale due to augmented use in cross-domain applications. Simultaneously, there is substantial growth in the availability of Geographic Information Systems (GIS) data provided by the United States Geological Survey (USGS) along with other federal, state, county, or local agencies through open-data portals and public access APIs. However, data availability does not equate with accessibility. Large-scale analyses and applications require robust, performant data management with co-location of data storage and computing. The insufficiency of data management infrastructure compels researchers to adopt ad hoc project- specific GIS data storage solutions (e.g., copying data to High-Performance computer file systems). As an ad hoc storage strategy does not scale, it hampers cross-domain analyses causing difficulty in data reuse and utilizing existing code bases. Furthermore, GIS data is complex and requires expertise to analyze and manipulate due to its intricate data structures and data-specific projection transformations. Despite the challenges, we recognize that derived GIS data products, e.g., satellite or LIDAR-based images, can be used in downstream applications such as AI by domain, but non-GIS experts. To address the data needs and overcome the challenges, we are working towards a GIS Data Platform focused on efficient data storage, data discovery and access, and an API to enable common workflows. We propose a knowledge-graph (KG) approach for data discovery, whereby datasets are semantically linked to higher- level constructs such as projects and research areas. The semantic data links enable researchers to explore datasets in a top-down approach by specifying relevant and meaningful terms (assists in finding hidden data). An advantage is that the nodes and edges in a knowledge graph create built-in semantic documentation. Deeper spatiotemporal connections between data sources can be encoded via Graph Neural Networks (GNN) (Zhang et al., 2021). The KG approach can be extended to integrate the data itself in a Virtual KG (VKG). Our work will derive inspiration from large-scale VKG efforts that have been undertaken or are currently underway as part of the OpenStreetMap project (Ding et al., 2021). For DOE Data Days, we share the proposed geospatial data platform hybrid (cloud/on-prem) architecture, our work-to-date on storing, retrieving, and transforming LiDAR and raster data relevant to two important NREL use-cases, including the Renewable Energy Potential (reV) Model, and present our proposal for a KG based data discovery engine.

data platform↗

DOE OSTI2021

Data Driven Fault Detection of Premixer Centerbody Degradation in a Swirl Combustor

This paper introduces a data-driven framework for combustor-focused, performance-based condition monitoring of gas turbines. Commercial condition monitoring systems typically generate huge amounts of data that make efficient onboard monitoring challenging. This paper focuses on quantifying combustor component degradation, using premixer centerbody degradation in a swirl stabilized combustor as a case study. The input for these analyses is acoustic pressure measurements acquired at various locations on the combustor. The diagnosis methodology is based on a classification framework and consists of 3 steps: 1) Data curation, 2) Feature Engineering, and 3) Diagnosis. Data curation ensures good quality of the data that is passed through the algorithm. Feature engineering deals with the extraction of the most informative features, from the most informative sensors, that can accurately capture the introduced fault. To perform diagnosis, the classification model is trained using experimentally acquired data and is then tested on a separate data set. The framework was able to achieve high classification accuracy (>99%) for training size as low as 30% of the total recorded observations. The low number of features required to achieve this accuracy suggests high potential for integration into existing onboard condition monitoring systems.

data driven methods, fault detection, swirl flames↗