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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

High Energy Physics Network Requirements Review (Final Report, July-October 2020)

Throughout 2020, ESnet and the Office of High Energy Physics (HEP) of the DOE SC organized an ESnet requirements review of HEP-supported activities. Preparation for this event included identification of key stakeholders: program and facility management, research groups, technology providers, and a number of external observers. These individuals were asked to prepare formal case study documents about their relationship to the HEP program to build a complete understanding of the current, near-term, and long-term status, expectations, and processes that will support the science going forward. A series of pre-planning meetings better prepared case study authors for this task, along with guidance on how the review would proceed in a virtual fashion.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Large-Scale Visualization of 3D Unstructured Groundwater Model Using Cave Automated Virtual Environment

The immersive three-dimensional (3D) virtual reality (VR) visualization of groundwater models allows us to deepen our understanding of aquifer systems and provide better solutions to present groundwater-related problems, such as groundwater recharge, water quality, and sustainability. Visualization assists in accurately developing groundwater models and revealing important subsurface features, including faulting, folding, and unconformity. However, assessing model accuracy poses challenges due to the complexity of geology and groundwater systems. This research demonstrates a workflow to visualize and analyze raw 3D unstructured groundwater model data using an immersive Cave Automated Virtual Environment (CAVE). To visualize the unstructured groundwater model data, the raw dataset is converted into interactive CAVE-compatible formats utilizing a set of tools: ParaView, Blender, and Unity. This enables researchers to immerse themselves in the data, identifying influential patterns and relationships. e resulting insights can inform the development of sophisticated machine-learning models for groundwater level prediction. The CAVE’s immersive capabilities allow intuitive exploration from various perspectives, providing a more holistic understanding of the factors affecting groundwater levels. These insights are crucial to improve predictive models. The CAVE results also facilitate collaborative analysis and have potential applications in training and education. is research demonstrates the value of immersive VR tools such as the CAVE for unraveling intricacies within high-dimensional scientific data to drive real-world forecasting and modeling applications.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Adaptive autoencoder latent space tuning for more robust machine learning beyond the training set for six-dimensional phase space diagnostics of a time-varying ultrafast electron-diffraction compact accelerator

In this work, we present a general adaptive latent space tuning approach for improving the robustness of machine learning tools with respect to time variation and distribution shift. We demonstrate our approach by developing an encoder-decoder convolutional neural network-based virtual 6D phase space diagnostic of charged particle beams in the HiRES ultrafast electron diffraction (UED) compact particle accelerator with uncertainty quantification. Our method utilizes model-independent adaptive feedback to tune a low dimensional 2D latent space representation of ~1 million dimensional objects which are the 15 unique 2D projections (x, y),...,(z, p z ) of the 6D phase space (x, y, z, p x , p y , p z ) of the charged particle beams. We demonstrate our method with numerical studies of short electron bunches utilizing experimentally measured UED input beam distributions.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Physics-coupled data-driven design of high-temperature alloys

We present a materials design loop, which streamlines physics-coupled machine learning (ML) surrogate models to discover new alloy chemistries with improved properties. The efficacy is demonstrated by discovering a high-temperature alumina-forming austenitic (AFA) stainless steel with enhanced creep, followed by experimental validation. The ML models have been trained using a well-curated, highly consistent experimental dataset augmented with synthetic microstructural features from a computational thermodynamic approach. We have populated a large number of hypothetical AFA alloys to explore the high-dimensional composition space and have predicted their creep properties by providing the same synthetic input features obtained from the trained ML models. Uncertainties from the ML training were taken as thresholds for truncating predicted results to identify alloys with improved or deteriorated creep. Individual elemental compositions have been determined via probability density distribution analysis from the group of alloys at the top and bottom of the predicted creep values for further virtual and experimental validations. In conclusion, we anticipate that this workflow can be applied to screen desired conditions, such as chemistry and processing parameters, in high-dimensional space through physics-guided data analytics.

Alloy design↗
DOE OSTI2026

SmileyLlama: modifying large language models for directed chemical space exploration

Here we show that large language models (LLMs) can be transformed via supervised fine-tuning of engineered prompts into SmileyLlama for exploring the chemical space of drug molecules. We benchmark SmileyLlama against pretrained LLMs and chemical language models trained from scratch for generating valid and novel drug-like molecules, and use direct preference optimization to both improve SmileyLlama’s adherence to a prompt and as part of the iMiner reinforcement learning framework to predict molecules with optimized three-dimensional conformations and high binding affinity to drug targets. By training an LLM to speak directly as a chemical language model, while retaining most of its natural language capabilities, we show that SmileyLlama can reliably generate molecules with user-specified properties rather than acting only as a chatbot with knowledge of chemistry or as a virtual assistant. While SmileyLlama is geared toward drug discovery, the supervised fine-tuning/direct preference optimization/LLM framework can be extended to other chemical, biological and materials applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2018

Evaluation of Usability and Workload Associated with Paper Strips as Compared to Virtual Flight Strips Used for Ramp Operations

This paper describes a study comparing the use of paper strips with virtual flight strips depicted on a new user interface, the Ramp Traffic Console (RTC), designed for use by ramp controllers to be used in place of paper strips. A Human-In-the-Loop (HITL) experiment was performed as the fifth in a series of six HITL simulation studies designed to evaluate a pushback Decision Support Tool (DST) concept for Charlotte Douglas International Airport (CLT). Workload and usability were assessed in post-run and post-study questionnaires. In the RTC virtual flight strip condition, post-run questionnaire results show lower workload ratings across all aspects of workload; additionally a trend is found toward increased usability ratings. Post-study questionnaire results indicate a preference for RTC over paper strips. Additional research is suggested with more training runs and a greater number of participants to increase statistical power. It is also suggested that this new technology be re-evaluated as a part of the ATD-2 (Airspace Technology Demonstration 2) field testing activities.

Human Factors↗
NASA NTRSDate not supplied

Development of the Suited Injury Modes and Effects Analysis for Identification of Top Injury Risks in Lunar Missions and Training

A new Exploration Extravehicular Activity Services (xEVAS) suit is being designed to replace the current Extravehicular Mobility Unit (EMU) for the National Aeronautics and Space Administration’s (NASA’s) Artemis program to return astronauts to the lunar surface. This new suit will allow for increased range of motion compared to the current EMU and Apollo era suits and additional features will enhance the health and safety of exploration. With the design of lunar missions and the xEVAS suit progressing, it is important to consider possible injuries and injury mechanisms that could occur in the suit. To address these concerns, the suited Injury Modes and Effects Analysis (IMEA) was developed to outline suited injury scenarios and rank them based on risk score. The IMEA documents possible scenarios and underlying mechanisms of injury. History has shown that more suit injuries occur during training than in flight; therefore, currently planned training events to prepare for lunar missions and tasks during lunar surface EVAs were considered. Each scenario is ranked with likelihood and consequence scorings based on our current understanding of suit and application of Artemis design reference missions. The scoring allowed identification of the high-risk cases that will drive further work in suited injury. Mechanisms of injury, injury outcomes, and mitigation strategies are evaluated within each scenario. The Suited Injury Summit was held on January 5, 2022, to vet the IMEA with external experts. This was an all-day virtual meeting with the suited injury team; ergonomists; suit engineers; safety engineers; the flight operations directorate; flight doctors; astronauts; astronaut strength, conditioning, and rehabilitation specialists (ASCRS); and external subject matter experts (SMEs). External SMEs consisted of surgeons with varying specialties. The intent of this meeting was to walk through the top injury risks identified in the analysis, identify any gaps that were not captured, and discuss mitigations. With participation from all groups, countless lessons-learned came from the Summit meeting. Using these, the top 10 risks have been identified: neutral buoyancy laboratory training, hand/glove injuries, poor suit fit, field training, specific EVA tasks/design of task, boots/ankle injuries, falls from heights, background radiation, repetitive contact, and ambulation/longdistance ambulation. Mitigation steps have also been determined for each of the top risks. The IMEA and documentation of top risks is a living document. Yearly meetings are planned to update the analysis and reevaluate top risks and mitigations. The IMEA is being used to drive work in suited injury, and this work will continue to evolve with IMEA and lunar mission updates.

Teresa Reiber↗
NASA NTRS1992

Mental rotation - A key to mitigation of motion sickness in the virtual environments?

If mental rotation is important for the reduction of motion sickness and complement performance in virtual environments (VEs), the use of the Howard (1982) mental rotation test battery may identify individuals with lower susceptibility to VE-induced motion sickness and therefore a greater probability of success as VE operators. An apparatus and its associated procedures are currently under development for astronaut microgravity training aimed at reducing motion sickness; it is hypothesized that this system may be of significance to VE testing and training.

Parker, Donald E.↗
NASA NTRS2022

Design Thinking, Lean Startup, and High-Technology Marketing for Human-Centered Systems Engineering

The use of design thinking, lean startup, and high-technology marketing in systems engineering are presented as a case study. All were used and evaluated for their potential to improve systems engineering processes and design, address the challenges of culture change, increase the adoption rate of new technology, and engage with potential users and sponsors more effectively. Multiple examples of training and use on a model-based systems engineering initiative at a large government agency showcase how these approaches were tailored and used successfully for significant benefits such as enhanced collaboration and better problem definition and design solutions. Challenges remain for use by quiet thinkers and with virtual teams. These new ways of thinking are well aligned with creating and using new technologies and are suitable for situations involving innovation, uncertainty, and change within organizations. This case study intends to familiarize systems engineers with the application of these human-centered approaches, to interest systems engineers in incorporating these approaches into their work processes ,and to inspire the systems engineering research community to investigate further.

Karen J. Weiland↗
NASA NTRS2013

System Administrator for LCS Development Sets

The Spaceport Command and Control System Project is creating a Checkout and Control System that will eventually launch the next generation of vehicles from Kennedy Space Center. KSC has a large set of Development and Operational equipment already deployed in several facilities, including the Launch Control Center, which requires support. The position of System Administrator will complete tasks across multiple platforms (Linux/Windows), many of them virtual. The Hardware Branch of the Control and Data Systems Division at the Kennedy Space Center uses system administrators for a variety of tasks. The position of system administrator comes with many responsibilities which include maintaining computer systems, repair or set up hardware, install software, create backups and recover drive images are a sample of jobs which one must complete. Other duties may include working with clients in person or over the phone and resolving their computer system needs. Training is a major part of learning how an organization functions and operates. Taking that into consideration, NASA is no exception. Training on how to better protect the NASA computer infrastructure will be a topic to learn, followed by NASA work polices. Attending meetings and discussing progress will be expected. A system administrator will have an account with root access. Root access gives a user full access to a computer system and or network. System admins can remove critical system files and recover files using a tape backup. Problem solving will be an important skill to develop in order to complete the many tasks.

Virtualizing in Linux↗
NASA NTRS1994

Software architecture standard for simulation virtual machine, version 2.0

The Simulation Virtual Machine (SBM) is an Ada architecture which eases the effort involved in the real-time software maintenance and sustaining engineering. The Software Architecture Standard defines the infrastructure which all the simulation models are built from. SVM was developed for and used in the Space Station Verification and Training Facility.

Sturtevant, Robert↗
DOE OSTI2023

Simulating the metabolic pathway dynamics of an organism

Disclosed herein are systems and methods for determining metabolic pathway dynamics using time series multiomics data. In one example, after receiving time series multiomics data comprising time-series metabolomics data associated a metabolic pathway and time-series proteomics data associated with the metabolic pathway, derivatives of the time series multiomics data can be determined. A machine learning model, representing a metabolic pathway dynamics model, can be trained using the time series multiomics data and the derivatives of the time series multiomics data, wherein the metabolic pathway dynamics model relates the time-series metabolomics data and time-series proteomics data to the derivatives of the time series multiomics data. The method can include simulating a virtual strain of the organism using the metabolic pathway dynamics model.

Costello, Zachary↗
NASA NTRS2020

NASA Capacity Building Program Intern Team Findings Final Report

NASA’s Capacity Building Program (CBP) provides individuals and institutions with workforce development, training activities, and collaborative projects to strengthen understanding of Earth observations and expand their use around the world. The team of eight interns set out this summer to work with CBP leadership to explore opportunities & innovations and identify process improvements within the program. For the 10-week summer term, the interns virtually assembled from Washington, Montana, Virginia, Maine, and Puerto Rico to collaborate on this project. The work was divided into four sub-projects: Data Analysis, Communications, Web Development and Strategy.

Grace Finstrom↗
DOE OSTI2021

Nuclear Science User Facilities High Performance Computing: Provide a Science Gateway for HPC Users

Idaho National Laboratory (INL), supported by the Department of Energy Office of Nuclear Energy (DOE-NE) through the Nuclear Science User Facilities (NSUF), provides direct access to the Barracuda Virtual Reactor and 18 Multiphysics Object-Oriented Simulation Environment (MOOSE) applications via a web-based science gateway developed using Open Ondemand on the INL high performance computing (HPC) systems. This gateway features the computational tools of the Nuclear Computational Resource Center (NCRC) and the computing resources of the INL high performance computing systems. These computational tools are a key foundation of collaboration and innovation in nuclear energy systems research. High performance computing resources and INL staff directly support the mission and objectives of DOE-NE. The Barracuda Virtual Reactor was the first science gateway deployed in Jan 2021 to support NSUF users. In July 2021, the science gateway was expanded to support access to NCRC codes for use across all supported INL HPC systems. The HPC science gateway currently supports 20 total applications. The gateway also includes access to training resources specific to NCRC tools.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2025

Digital Twin Framework for PIP-II Linac: AI-Driven Multi-Scale Modeling from Ion Source to 800 MeV

The PIP-II linac will enable >1.2 MW beam power for DUNE, requiring unprecedented operational reliability across its warm front-end (RFQ, MEBT) and five distinct SRF sections operating at 162.5/325/650 MHz. We present a comprehensive digital twin framework uniquely combining a fully differentiable fast beam transport code with neural network surrogates trained on high-fidelity PIC simulations, capturing space charge and nonlinear dynamics beyond traditional envelope codes while achieving 10⁴ speedup at <1% accuracy. End-to-end differentiability enables gradient-based optimization across 500+ parameters simultaneously previously impossible with conventional tools while the model incorporates static/dynamic errors and serves as a virtual commissioning platform for diverse hardware integration. The framework facilitates reinforcement learning for pulsed/CW mode transitions, predictive maintenance through anomaly detection, and autonomous tuning algorithm development with real-time execution capability. Validation against physics simulations shows excellent agreement for the front-end, with initial results demonstrating potential for 30% commissioning time reduction and proactive fault mitigation, providing a scalable blueprint for operating next-generation high-intensity accelerators.

Pathak, Abhishek [Fermilab] (ORCID:000000021704208↗
DOE OSTI2025

Digital Twin Framework for PIP-II Linac: AI-Driven Multi-Scale Modeling from Ion Source to 800 MeV

The PIP-II linac will enable >1.2 MW beam power for DUNE, requiring unprecedented operational reliability across its warm front-end (RFQ, MEBT) and five distinct SRF sections operating at 162.5/325/650 MHz. We present a comprehensive digital twin framework uniquely combining a fully differentiable fast beam transport code with neural network surrogates trained on high-fidelity PIC simulations, capturing space charge and nonlinear dynamics beyond traditional envelope codes while achieving 10⁴× speedup at <1% accuracy. End-to-end differentiability enables gradient-based optimization across 500+ parameters simultaneously—previously impossible with conventional tools—while the model incorporates static/dynamic errors and serves as a virtual commissioning platform for diverse hardware integration. The framework facilitates reinforcement learning for pulsed/CW mode transitions, predictive maintenance through anomaly detection, and autonomous tuning algorithm development with real-time execution capability. Validation against physics simulations shows excellent agreement for the front-end, with initial results demonstrating potential for 30% commissioning time reduction and proactive fault mitigation, providing a scalable blueprint for operating next-generation high-intensity accelerators.

Pathak, Abhishek [Fermilab] (ORCID:000000021704208↗
DOE OSTI2021

Development and validation of a second-order thermal network model for residential buildings

Heating, Ventilation, and Air Conditioning (HVAC) systems can maintain the space air temperature of residential buildings, either directly by heating/cooling the air, or indirectly via heat transfer to and from the building structure that acts as a thermal mass. Hence, HVAC systems can help achieve load shifting, peak load reduction, and/or energy cost saving, thus enabling grid-interactive HVAC operation. A home thermal model that can accurately reflect the dynamics of the space air and interior wall surface temperatures, is therefore valuable. This paper develops such a model using the standard RC (resistance-capacitance) approach. The model contains a virtual envelope node and an internal space node and is thus second-order. A hybrid parameter identification scheme, made up of the least-squares and optimal search methods, is also developed. The proposed model and scheme were validated using data collected from a test home. It was found that a modest amount of training data was sufficient to yield reliable parameter estimates and accurate prediction. It was also found that when making 24-hour-ahead prediction of the space air temperature, both methods had comparable performances when the training data began in a transition season. However, when they began in an HVAC season, the optimal search method performed better. Furthermore, the least-squares method is recommended during a transition season due to its lower computational burden, while the optimal search method is recommended during an HVAC season due to its better estimation performance.

24 POWER TRANSMISSION AND DISTRIBUTION↗