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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Fast uncertainty estimates in deep learning interatomic potentials

Deep learning has emerged as a promising paradigm to give access to highly accurate predictions of molecular and material properties. A common short-coming shared by current approaches, however, is that neural networks only give point estimates of their predictions and do not come with predictive uncertainties associated with these estimates. Existing uncertainty quantification efforts have primarily leveraged the standard deviation of predictions across an ensemble of independently trained neural networks. This incurs a large computational overhead in both training and prediction, resulting in order-of-magnitude more expensive predictions. Here, we propose a method to estimate the predictive uncertainty based on a single neural network without the need for an ensemble. This allows us to obtain uncertainty estimates with virtually no additional computational overhead over standard training and inference. We demonstrate that the quality of the uncertainty estimates matches those obtained from deep ensembles. We further examine the uncertainty estimates of our methods and deep ensembles across the configuration space of our test system and compare the uncertainties to the potential energy surface. Finally, we study the efficacy of the method in an active learning setting and find the results to match an ensemble-based strategy at order-of-magnitude reduced computational cost.

Chemistry↗
DOE OSTI2021

Lessons from the COVID Era and Visions for the Future

In December 2020, the U.S. Department of Energy Office of Science convened a virtual Roundtable of its 27 operating scientific user facilities to discuss facility challenges and lessons learned during the COVID-19 pandemic as well as facility responses, best practices, and innovations that could be adopted going forward. Roundtable participants included facility staff, users, and user executive committee chairs. This report summarizes their discussions, which encompassed topics such as user research and facility operations in virtual and physically distanced contexts; user training and engagement; computation, data, and network resources; and crosscutting issues.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
NASA NTRS2004

Carbon Dioxide Dispersion in the Combustion Integrated Rack Simulated Numerically

When discharged into an International Space Station (ISS) payload rack, a carbon dioxide (CO2) portable fire extinguisher (PFE) must extinguish a fire by decreasing the oxygen in the rack by 50 percent within 60 sec. The length of time needed for this oxygen reduction throughout the rack and the length of time that the CO2 concentration remains high enough to prevent the fire from reigniting is important when determining the effectiveness of the response and postfire procedures. Furthermore, in the absence of gravity, the local flow velocity can make the difference between a fire that spreads rapidly and one that self-extinguishes after ignition. A numerical simulation of the discharge of CO2 from PFE into the Combustion Integrated Rack (CIR) in microgravity was performed to obtain the local velocity and CO2 concentration. The complicated flow field around the PFE nozzle exits was modeled by sources of equivalent mass and momentum flux at a location downstream of the nozzle. The time for the concentration of CO2 to reach a level that would extinguish a fire anywhere in the rack was determined using the Fire Dynamics Simulator (FDS), a computational fluid dynamics code developed by the National Institute of Standards and Technology specifically to evaluate the development of a fire and smoke transport. The simulation shows that CO2, as well as any smoke and combustion gases produced by a fire, would be discharged into the ISS cabin through the resource utility panel at the bottom of the rack. These simulations will be validated by comparing the results with velocity and CO2 concentration measurements obtained during the fire suppression system verification tests conducted on the CIR in March 2003. Once these numerical simulations are validated, portions of the ISS labs and living areas will be modeled to determine the local flow conditions before, during, and after a fire event. These simulations can yield specific information about how long it takes for smoke and combustion gases produced by a fire to reach a detector location, how large the fire would be when the detector alarms, and the behavior of the fire until it has been extinguished. This new capability could then be used to optimize the location of fire detectors and fire-suppression ports as well as to evaluate the effectiveness of fire suppressants and response strategies. Numerical data collected from these simulations could also be used to develop a virtual reality fire event for crew training and fire safety awareness. This work is funded by NASA's Bioastronautics Initiative, which has the objective of ensuring and enhancing the health, safety, and performance of humans in space. As part of this initiative, the Microgravity Combustion Science Branch at the NASA Glenn Research Center is conducting spacecraft fire safety research to significantly improve fire safety on inhabited spacecraft.

Wu, Ming-Shin↗
NASA NTRS2020

Modeling and Simulation - Virtual

The purpose of this report is to describe the body of work I have produced as a NASA Office of Science Technology Engineering and Math (OSTEM) intern in the Fall 2020 semester. My mentor during this session was Antonio Pego and my main task was to research and develop solutions in augmented and virtual reality technologies for use in training simulations. A main focus of this project was the development of human models for use in the game engine, with the purpose of creating simulations that would help with realistic analysis of tasks that will be performed by personnel. A steep learning curve had to be tackled in order to learn and catch up with current MR technologies. Along the way I created documentation of the different techniques utilized to support future continuation of the project.

Peter Leroy Santana Rodriguez↗
NASA NTRS2021

Lunar Surface VR/ARGOS Trainer

This proposal aims to provide insight by identifying potential risks and unknowns of lander egress and surface operations through a Mixed Reality (MR) planning, training, and analysis capability that integrates Virtual Reality (VR) simulations and the Active Response Gravity Offload System (ARGOS).

Lee K Bingham↗
DOE OSTI2021

Domain knowledge-informed, process-mapping AI graph for designing Fe-based alloys

<span style="font-family: Calibri, sans-serif; font-size: 12pt;">Continuous improvement in efficiency of a power plant relies on designing materials for use at increasingly higher temperature and/or pressure, for 100,000s hours of operation. Due to complexity, non-linearity and high-dimensionality of the problem, traditional Machine Learning (ML) approaches require unreasonably large datasets for the data-driven model development. Science-based material and process engineering complements hard data with, sometimes soft and intuitive, empirical domain knowledge. Artificial Intelligence (AI) was used in this study to incorporate such knowledge into computational graph architecture (process-mimicking artificial neuron design, causal layer and graph structures, ensemble modeling of latent states) and learning procedures (variable transformation, fuzzy physics pre-training and freezing of deep layers, virtual microstructure representation, and adversarial multi-objective optimization). The first alloys design pathways suggested by the AI tool (pyroMind) passed a preliminary engineering review on soundness and transparency.</span>

Romanov, Vyacheslav↗
DOE OSTI2020

A systematic feature extraction and selection framework for data-driven whole-building automated fault detection and diagnostics in commercial buildings

In data-driven automated fault detection and diagnostics (AFDD) modeling for building energy systems, feature engineering is a critical process of extracting information from high-dimensional and noisy sensor measurement and turning it into informative and representative inputs or features for data-driven modeling. However, few studies specifically discuss the feature engineering, especially the interactions between feature extraction and feature selection in whole-building AFDD. We developed a systematic feature extraction and selection framework for whole-building AFDD. In this framework, features are aggressively extracted from raw sensor data using statistical feature extraction techniques with various window sizes and statistics. With many features extracted, a hybrid feature selection algorithm that combines the filter and wrapper method then selects the best feature set. The framework considers diversity in the duration of fault behavior among fault types in whole-building AFDD, thus achieving high model generalization. We implemented our developed framework in a virtual testbed calibrated with measured data from Oak Ridge National Laboratory's Flexible Research Platform designed to mimic the operation of a typical small commercial building. The AFDD model is trained by the simulation data generated from the virtual testbed. The results show that (1) the developed framework improves the generalization of the AFDD model by 10.7% compared with literature-reported feature extraction and selection methods and (2) features with diverse window sizes and statistics are selected, providing insight into physical systems beyond the current understanding of buildings and faults and improving the detection and diagnostics of multiple fault types.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS2002

Virtually Out of This World!

Ames Research Center granted Reality Capture Technologies (RCT), Inc., a license to further develop NASA's Mars Map software platform. The company incorporated NASA#s innovation into software that uses the Virtual Plant Model (VPM)(TM) to structure, modify, and implement the construction sites of industrial facilities, as well as develop, validate, and train operators on procedures. The VPM orchestrates the exchange of information between engineering, production, and business transaction systems. This enables users to simulate, control, and optimize work processes while increasing the reliability of critical business decisions. Engineers can complete the construction process and test various aspects of it in virtual reality before building the actual structure. With virtual access to and simulation of the construction site, project personnel can manage, access control, and respond to changes on complex constructions more effectively. Engineers can also create operating procedures, training, and documentation. Virtual Plant Model(TM) is a trademark of Reality Capture Technologies, Inc.

Source record↗
DOE OSTI2023

DeepONet-grid-UQ: A trustworthy deep operator framework for predicting the power grid’s post-fault trajectories

This paper proposes a novel data-driven method for the reliable prediction of the power grid’s post-fault trajectories, i.e., the power grid’s dynamic response after a disturbance or fault. Here, the proposed method is based on the recently proposed concept of Deep Operator Networks (DeepONets). Unlike traditional neural networks that learn to approximate functions, DeepONets are designed to approximate nonlinear operators, i.e., mappings between infinite-dimensional spaces. Under this operator framework, we design a novel and efficient DeepONet that (i) takes as inputs the trajectories collected before and during the fault and (ii) outputs the predicted post-fault trajectories. In addition, we endow our method with the much-needed ability to balance efficiency with reliable/trustworthy predictions via uncertainty quantification. To this end, we propose and compare two novel methods that enable quantifying the predictive uncertainty. First, we propose a Bayesian DeepONet (B-DeepONet) that uses stochastic gradient Hamiltonian Monte-Carlo to sample from the posterior distribution of the DeepONet trainable parameters. Then, we design a Probabilistic DeepONet (Prob-DeepONet) that uses a probabilistic training strategy to enable quantifying uncertainty at virtually no extra computational cost. Finally, we validate the proposed methods’ predictive power and uncertainty quantification capability using the New York-New England power grid model.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

Implementing Mixed Reality Tools to Support Mission Delivery at Hanford - 20520

Mission Support Alliance's (MSA) Public Works and Information Systems organizations have been working with Microsoft Corporation to develop and implement mixed reality operational solutions using their HoloLens technology. This collaborative effort is intended to drive innovative solutions and significantly improve MSA's efficiency in performing work at the Hanford Site. HoloLens, a mixed reality tool, is a commercial off-the-shelf technology that combines a head-mounted viewing screen with applications to help people and organizations learn, communicate, and collaborate more effectively through the use of mixed reality. https://microsoft.com/en-us/hololens MSA's initial pilot successfully demonstrated its ability to use mixed reality utilizing HoloLens' advanced features in a variety of ways, illustrating the potential efficiency gains previously stated as goals of this pilot. These achievements include the development of proprietary technology that allows synchronization between a HoloLens device and a mobile device or alternate global positioning system (GPS) device. This synchronization enables the HoloLens device to access real time GPS location data anywhere on the Hanford Site. This real time location data, combined with MSA's improved Hanford Geographical Information System (GIS) data, enables the mixed reality pilot application to identify underground utility systems as well as related utility attributes. This ability will aid utility workers in several areas, including excavation activities, the placement of large cranes, identifying interactions and conflicts with future underground utility placements and, eventually, recognizing and de-conflicting tank waste transfer system valve alignments. The HoloLens mixed reality application is also able to provide full or small scale holographic images of a facility's digital twin. This feature will allow MSA's Water and Sewer Utilities team to train and validate procedures associated with the new water treatment facility virtually, before it is constructed. This reduces the amount of time it takes to complete the training and procedure validation, and accelerates the overall construction schedule. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

Improving Convection Trigger Functions in Deep Convective Parameterization Schemes Using Machine Learning

Abstract Deficiencies in convection trigger functions, used in deep convection parameterizations in General Circulation Models (GCMs), have critical impacts on climate simulations. A novel convection trigger function is developed using the machine learning (ML) classification model XGBoost. The large‐scale environmental information associated with convective events is obtained from the long‐term constrained variational analysis forcing data from the Atmospheric Radiation Measurement (ARM) program at its Southern Great Plains (SGP) and Manaus (MAO) sites representing, respectively, continental mid‐latitude and tropical convection. The ML trigger is separately trained and evaluated per site, and jointly trained and evaluated at both sites as a unified trigger. The performance of the ML trigger is compared with four convective trigger functions commonly used in GCMs: dilute convective available potential energy (CAPE), undilute CAPE, dilute dynamic CAPE (dCAPE), and undilute dCAPE. The ML trigger substantially outperforms the four CAPE‐based triggers in terms of the F 1 score metric, widely used to estimate the performance of ML methods. The site‐specific ML trigger functions can achieve, respectively, 91% and 93% F 1 scores at SGP and MAO. The unified trigger also has a 91% F 1 score, with virtually no degradation from the site‐specific training, suggesting the potential of a global ML trigger function. The ML trigger alleviates a GCM deficiency regarding the overprediction of convection occurrence, offering a promising improvement to the simulation of the diurnal cycle of precipitation. Furthermore, to overcome the black box issue of the ML methods, insights derived from the ML model are discussed, which may be leveraged to improve traditional CAPE‐based triggers.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRSDate not supplied

Conducting Feasibility Studies in a Virtual World: Lessons Learned and Emerging Best Practices from the NASA DEVELOP Program

In response to new workplace realities, the NASA DEVELOP National Program pivoted from co-locating students, emerging professionals, and science advisors to bringing together virtual teams from across the United States. In its spring 2020 term, rapidly evolving circumstances required an ad-hoc roll-out of a virtual approach to complete the spring projects. Based on the experience from the spring term and a few weeks of planning, DEVELOP then conducted a fully virtual summer term with features such as 1) online collaboration tools, 2) virtual machines for analysis, and 3) streamed training offerings, including DEVELOP’s first ever program-wide Software Carpentry workshop. This full term of bringing together remote actors to select, build, and manage teams brought many challenges. Summer feedback has influenced planning for the fall 2020 term and process improvement is ongoing. This presentation will highlight lessons learned throughout this period of rapid change. Feedback from spring and summer terms and the Software Carpentry workshop will be summarized. Beyond participant impacts, there will also be discussion of effects on project results and partner experience. Final takeaways will focus on best practices that have been distilled for virtually-conducted feasibility studies.

NASA DEVELOP↗
NASA NTRS2010

Visual Bias Predicts Gait Adaptability in Novel Sensory Discordant Conditions

We designed a gait training study that presented combinations of visual flow and support-surface manipulations to investigate the response of healthy adults to novel discordant sensorimotor conditions. We aimed to determine whether a relationship existed between subjects visual dependence and their postural stability and cognitive performance in a new discordant environment presented at the conclusion of training (Transfer Test). Our training system comprised a treadmill placed on a motion base facing a virtual visual scene that provided a variety of sensory challenges. Ten healthy adults completed 3 training sessions during which they walked on a treadmill at 1.1 m/s while receiving discordant support-surface and visual manipulations. At the first visit, in an analysis of normalized torso translation measured in a scene-movement-only condition, 3 of 10 subjects were classified as visually dependent. During the Transfer Test, all participants received a 2-minute novel exposure. In a combined measure of stride frequency and reaction time, the non-visually dependent subjects showed improved adaptation on the Transfer Test compared to their visually dependent counterparts. This finding suggests that individual differences in the ability to adapt to new sensorimotor conditions may be explained by individuals innate sensory biases. An accurate preflight assessment of crewmembers biases for visual dependence could be used to predict their propensities to adapt to novel sensory conditions. It may also facilitate the development of customized training regimens that could expedite adaptation to alternate gravitational environments.

Brady, Rachel A.↗
NASA NTRSDate not supplied

Virtual Fit Assessment: Validation using Historical Spacesuit Fit Data

Virtual fit tests using 3D body scans have provided a cost-effective means to predictively assess spacesuit fit for the current and future astronaut population. However, fit is a complex issue influenced by physical interferences, subjective preference, and many other factors. Fit can substantially differ between the type of hardware, environmental conditions, and tasks being performed. Namely, fit changes across different contexts, such as 3D printed mockup evaluations, pressurized one-g suited test events, neutral buoyancy and other training events, and flight extravehicular activities (EVA). These challenges make it difficult to validate virtual fit frameworks to physical suit sizing. This study proposes a new method of validation using the wealth of historically archived suit fit data. Physically Assessed Fit (PAF) data was assessed from astronauts and test volunteers who wore the legacy Extravehicular Mobility Unit (EMU). The data was collected during the past decades at NASA and considered to be most reliable and dependable. Each participant was 3D scanned for body shape and spacesuit-critical dimensions were measured per NASA guidelines. The participants’ size preference for hard upper torso (HUT) assembly was retrieved from their pressurized suit fit check records. Fit assessments were also updated after one-g EVA training, neutral buoyancy training, and EVA flights. Virtually Assessed Fit (VAF) was done by overlaying the CAD model of a HUT with the 3D body scans of the PAF participants. Each body scan was iteratively adjusted for the position inside the HUT to minimize the suit-to-body contact interference while satisfying a set of prescribed requirements. Then the residual contact area, depth, and volume were quantified as VAF metrics. This process was repeated for the different HUT sizes, including medium, large, and extra-large. Statistical modeling is currently in progress and will be presented at the conference. A statistical classifier will be developed to predict a fit probability for different HUT sizes as a function of the corresponding person’s VAF metrics. The HUT size with the highest fit probability will constitute the most likely size selection for the person, and the prediction will be compared against the corresponding PAF data. The participant data will be randomly pre-grouped into either a model development or validation subset. While the model development subset will be used to build the probability model, the validation subset will be used to assess the model accuracy. Also, the locations and magnitudes of suit-body-contacts will be estimated from VAF. This information can identify the critical suit geometry and body shape features that influence suit fit. The variations found in PAF size selections by subjects with similar VAF metrics will allow for investigations into subjective preferences, for example, tight versus loose fit. Overall, this study is expected to provide a structured validation of a virtual suit fit framework, which has not been possible in the past. The outcome can also provide useful insights and potential limitations for interpreting virtual fit tests for future spacesuit designs and population accommodation.

Han Kim↗
DOE OSTI2021

Solar Energy Technologies Office Workforce Request for Information and Convenings (Summary)

On May 4, 2021, the U.S. Department of Energy (DOE) Solar Energy Technologies Office (SETO) published a Request for Information (RFI) on programs that support the development of a diverse and skilled clean energy workforce. The purpose of the RFI was to solicit feedback from industry, academia, government agencies, worker organizations (including unions), and other stakeholders on issues related to the employment needs of the solar industry, and the perceived value of different workforce development programs, training strategies, and tools. To supplement the RFI, SETO hosted four virtual convenings that brought together the utility-scale solar industry, the distributed generation solar industry, and labor and other workforce training organizations to hear direct feedback on the questions in the RFI. In addition, SETO held listening sessions with about a dozen other organizations and staff who could not participate in the virtual convenings. Altogether, SETO received 45 responses from the RFI and heard directly from 80-100 other stakeholders via the convenings and listening sessions. This document summarizes the stakeholder feedback that SETO received as a result of this process. While both the RFI and convening series were focused on solar deployment and solar industry members, much of this information is relevant across clean energy technologies and programs. It is important to recognize that DOE is intentionally reviewing our workforce development programming and support to focus on clean energy careers more holistically.

14 SOLAR ENERGY↗
NASA NTRS1996

Aerospace applications of virtual environment technology

The uses of virtual environment technology in the space program are examined with emphasis on training for the Hubble Space Telescope Repair and Maintenance Mission in 1993. Project ScienceSpace at the Virtual Environment Technology Lab is discussed.

Astronauts/education↗
DOE OSTI2020

Plant science decadal vision 2020–2030: Reimagining the potential of plants for a healthy and sustainable future

Abstract Plants, and the biological systems around them, are key to the future health of the planet and its inhabitants. The Plant Science Decadal Vision 2020–2030 frames our ability to perform vital and far‐reaching research in plant systems sciences, essential to how we value participants and apply emerging technologies. We outline a comprehensive vision for addressing some of our most pressing global problems through discovery, practical applications, and education. The Decadal Vision was developed by the participants at the Plant Summit 2019, a community event organized by the Plant Science Research Network. The Decadal Vision describes a holistic vision for the next decade of plant science that blends recommendations for research, people, and technology. Going beyond discoveries and applications, we, the plant science community, must implement bold, innovative changes to research cultures and training paradigms in this era of automation, virtualization, and the looming shadow of climate change. Our vision and hopes for the next decade are encapsulated in the phrase reimagining the potential of plants for a healthy and sustainable future. The Decadal Vision recognizes the vital intersection of human and scientific elements and demands an integrated implementation of strategies for research (Goals 1–4), people (Goals 5 and 6), and technology (Goals 7 and 8). This report is intended to help inspire and guide the research community, scientific societies, federal funding agencies, private philanthropies, corporations, educators, entrepreneurs, and early career researchers over the next 10 years. The research encompass experimental and computational approaches to understanding and predicting ecosystem behavior; novel production systems for food, feed, and fiber with greater crop diversity, efficiency, productivity, and resilience that improve ecosystem health; approaches to realize the potential for advances in nutrition, discovery and engineering of plant‐based medicines, and "green infrastructure." Launching the Transparent Plant will use experimental and computational approaches to break down the phytobiome into a "parts store" that supports tinkering and supports query, prediction, and rapid‐response problem solving. Equity, diversity, and inclusion are indispensable cornerstones of realizing our vision. We make recommendations around funding and systems that support customized professional development. Plant systems are frequently taken for granted therefore we make recommendations to improve plant awareness and community science programs to increase understanding of scientific research. We prioritize emerging technologies, focusing on non‐invasive imaging, sensors, and plug‐and‐play portable lab technologies, coupled with enabling computational advances. Plant systems science will benefit from data management and future advances in automation, machine learning, natural language processing, and artificial intelligence‐assisted data integration, pattern identification, and decision making. Implementation of this vision will transform plant systems science and ripple outwards through society and across the globe. Beyond deepening our biological understanding, we envision entirely new applications. We further anticipate a wave of diversification of plant systems practitioners while stimulating community engagement, underpinning increasing entrepreneurship. This surge of engagement and knowledge will help satisfy and stoke people's natural curiosity about the future, and their desire to prepare for it, as they seek fuller information about food, health, climate and ecological systems.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

AlphaBuilding ResCommunity: A multi-agent virtual testbed for community-level load coordination

Training and validating algorithms in a simulation testbed can accelerate research and applications of optimal control of residential loads to improve energy flexibility and grid resilience. We developed an open-source simulation environment, AlphaBuilding ResCommunity, that can be used to train and validate algorithms to control a single thermostatically controlled load (TCL) or coordinate a group of TCLs. We used reduced-order models to simulate the thermodynamics of TCLs, and the parameter values were determined from the connected smart thermostat data of real households. The environment was built upon the standardized OpenAI Gym interface. Ancillary functions, such as retrieving the parameters and weather forecasts, are provided to facilitate control strategies that require predictive information. Compared with existing efforts, AlphaBuilding ResCommunity has three advantages: (1) more realistic model settings because the parameter values are identified from actual household operating data, and modelling and measurement uncertainty are considered; (2) passive thermal storage control; and (3) ease of use due to a simple software dependency and standardized interface. We demonstrated the applications of the environment by implementing a Kalman Filter and Model Predictive Control on a single TCL and a Priority-Stack-Based Control and Alternating Direction Method of Multipliers to coordinate multiple TCLs for load tracking.

Wang, Z↗