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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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DOE OSTI2026

Wattchmen: Watching the Wattchers – High Fidelity, Flexible GPU Energy Modeling

Modern GPU-rich HPC systems are increasingly becoming energy-constrained. Thus, understanding an application’s energy consumption becomes essential. Unfortunately, current GPU energy attribution techniques are either inaccurate, inflexible, or outdated. Therefore, we propose Wattchmen, a flexible methodology for measuring, attributing, and predicting GPU energy consumption. We construct a per-instruction energy model using a diverse set of microbenchmarks to systematically quantify the energy consumption of GPU instructions, enabling finer-grain prediction and energy consumption breakdowns for applications. Compared with the state-of-the-art systems like AccelWattch (32%) and Guser (25%), across 16 popular GPGPU, graph analytics, HPC, and ML workloads, Wattchmen reduces the mean absolute percent error (MAPE) to 14% on V100 GPUs. Furthermore, we show that Wattchmen provides similar MAPEs for water-cooled V100s (15%) and extends to later architectures, including air-cooled A100 (11%) and H100 (12%) GPUs. Finally, to further demonstrate Wattchmen ’s value, we apply it to applications such as Backprop and QMCPACK, where Wattchmen ’s insights enable energy reductions of up to 35%.

Tran, Brandon [University of Wisconsin, Madison] (↗

DOE OSTI2023

Extreme windstorms in the Northeastern USA in the contemporary and future climate

Cold-season windstorms represent an important, and potentially changing, geophysical hazard in the Northeastern United States. Here we employ an integrated research methodology including both a storyline approach, where three intense windstorms from the current climate are subjected to pseudo-global warming (PGW) experiments, and a long-term transient simulation using the Weather Research and Forecasting (WRF) model. An ensemble of WRF simulations is built for each windstorm using different planetary boundary layer and microphysical parameterizations. The fidelity assessment suggests all ensemble members capture the windstorm evolution in contemporary climate. The configuration with highest fidelity is used in the PGW experiments performed with perturbed temperature fields, constant relative humidity, and deiced Great Lakes. These perturbation simulations indicate some evidence for a reduction of sea level pressure and increases in wind speed over and downwind of the Great Lakes and over the Atlantic Ocean plus an increase in precipitation accumulation but a reduction in snow coverage. These changes are spatially inhomogeneous in terms of magnitude and sign but are consistent with changes in potential vorticity. Alberta Clippers and Colorado Lows dominate the cyclones responsible for historical windstorms and thus are sampled in the PGW simulations. However, the transient simulation suggests an increasing role for tropical cyclones that undergo transition to extratropical cyclones. Furthermore, this reinforces the value of combining information from both PGW perturbation experiments within a storyline context and transient simulations when seeking to quantify the future risk associated with cold-season windstorms under changing climate.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

CFD/FEA Co-Simulation Framework for Analysis of the Thermal Barrier Coating Design and Its Impact on the HD Diesel Engine Performance

Thermal barrier coatings (TBCs) have been investigated both experimentally and through simulation for mixing controlled combustion (MCC) concepts as a method for reducing heat transfer losses and increasing cycle efficiency, but it is still a very active research area. Early studies were inconclusive, with different groups discovering obstacles to realizing the theoretical potential. Nuanced papers have shown that coating material properties, thickness, microstructure, and surface morphology/roughness all can impact the efficacy of the thermal barrier coating and must be accounted for. Adding to the complexities, a strong spatial and temporal heat flux inhomogeneity exists for mixing controlled combustion (diesel) imposed onto the surfaces from the impinging flame jets. In support of the United States Department of Energy SuperTruck II program goal to achieve 55% brake thermal efficiency on a heavy-duty diesel engines, this study sought to develop a deeper insight into the inhomogeneous heat flux from mixing controlled combustion on thermal barrier coatings and to infer concrete guidance for designing coatings. To that end, a co-simulation approach was developed that couples high-fidelity computational fluid dynamics (CFD) modeling of in-cylinder processes and combustion, and finite element analysis (FEA) modeling of the thermal barrier-coated and metal engine components to resolve spatial and temporal thermal boundary conditions. The models interface at the surface of the combustion chamber; FEA modeling predicts the spatially resolved surface temperature profile, while CFD develops insights into the effect of the thermal barrier coating on the combustion process and the boundary conditions on the gas side. The paper demonstrates the capability of the framework to estimate cycle impacts of the temperature swing at the surface, as well as identify critical locations on the piston/thermal barrier coating that exhibit the highest charge temperature and highest heat fluxes. In addition, the FEA results include predictions of thermal stresses, thus enabling insight into factors affecting coating durability. An example of the capability of the framework is provided to illustrate its use for investigating novel coatings and provide deeper insights to guide future coating design.

42 ENGINEERING↗

NASA NTRS1987

Systems simulations supporting NASA telerobotics

Two simulation and analysis environments have been developed to support telerobotics research at the Langley Research Center. One is a high-fidelity, nonreal-time, interactive model called ROBSIM, which combines user-generated models of workspace environment, robots, and loads into a working system and simulates the interaction among the system components. Models include user-specified actuator, sensor, and control parameters, as well as kinematic and dynamic characteristics. Kinematic, dynamic, and response analyses can be selected, with system configuration, task trajectories, and arm states displayed using computer graphics. The second environment is a real-time, manned Telerobotic Systems Simulation (TRSS) which uses the facilities of the Intelligent Systems Research Laboratory (ISRL). It utilizes a hierarchical structure of functionally distributed computers communicating over both parallel and high-speed serial data paths to enable studies of advanced telerobotic systems. Multiple processes perform motion planning, operator communications, forward and inverse kinematics, control/sensor fusion, and I/O processing while communicating via common memory. This paper describes both ROBSIM and TRSS, including their capability, status, and future plans. Also described is the architecture of ISRL and recent telerobotic system studies in ISRL.

Harrison, F. Wallace, Jr.↗

NASA NTRS1987

Systems simulations supporting NASA telerobotics

Two simulation and analysis environments have been developed to support telerobotics research at the Langley Research Center. One is a high-fidelity, nonreal-time, interactive model called ROBSIM, which combines user-generated models of workspace environment, robots, and loads into a working system and simulates the interaction among the system components. Models include user-specified actuator, sensor, and control parameters, as well as kinematic and dynamic characteristics. Kinematic, dynamic, and response analyses can be selected, with system configuration, task trajectories, and arm states displayed using computer graphics. The second environment is a real-time, manned Telerobotic Systems Simulation (TRSS) which uses the facilities of the Intelligent Systems Research Laboratory (ISRL). It utilizes a hierarchical structure of functionally distributed computers communicating over both parallel and high-speed serial data paths to enable studies of advanced telerobotic systems. Multiple processes perform motion planning, operator communications, forward and inverse kinematics, control/sensor fusion, and I/O processing while communicating via common memory. Both ROBSIM and TRSS, including their capability, status, and future plans are discussed. Also described is the architecture of ISRL and recent telerobotic system studies in ISRL.

Harrison, F. W., Jr.↗

NASA NTRS2018

Southeast Atmosphere Studies: Learning from Model-Observation Syntheses

Concentrations of atmospheric trace species in the United States have changed dramatically over the past several decades in response to pollution control strategies, shifts in domestic energy policy and economics, and economic development (and resulting emission changes) elsewhere in the world. Reliable projections of the future atmosphere require models to not only accurately describe current atmospheric concentrations, but to do so by representing chemical, physical and biological processes with conceptual and quantitative fidelity. Only through incorporation of the processes controlling emissions and chemical mechanisms that represent the key transformations among reactive molecules can models reliably project the impacts of future policy, energy and climate scenarios. Efforts to properly identify and implement the fundamental and controlling mechanisms in atmospheric models benefit from intensive observation periods, during which collocated measurements of diverse, speciated chemicals in both the gas and condensed phases are obtained. The Southeast Atmosphere Studies (SAS, including SENEX, SOAS, NOMADSS and SEAC4RS) conducted during the summer of 2013 provided an unprecedented opportunity for the atmospheric modeling community to come together to evaluate, diagnose and improve the representation of fundamental climate and air quality processes in models of varying temporal and spatial scales. This paper is aimed at discussing progress in evaluating, diagnosing and improving air quality and climate modeling using comparisons to SAS observations as a guide to thinking about improvements to mechanisms and parameterizations in models. The effort focused primarily on model representation of fundamental atmospheric processes that are essential to the formation of ozone, secondary organic aerosol (SOA) and other trace species in the troposphere, with the ultimate goal of understanding the radiative impacts of these species in the southeast and elsewhere. Here we address questions surrounding four key themes: gas-phase chemistry, aerosol chemistry, regional climate and chemistry interactions, and natural and anthropogenic emissions. We expect this review to serve as a guidance for future modeling efforts.

atmospheric chemistry↗

NASA NTRS2018

Mars Optimal Aerobrake Maneuver Estimation

Mars science satellites often perform orbit changes to obtain different measurements, ground tracks or relay operations. Large reductions in semi-major axis and eccentricity can be done efficiently using the atmospheric drag, a.k.a aerobrake. Aerobraking is one of the most challenging planetary orbit maneuvers in terms of planning and operations. The most important consideration for aerobraking is maintaining the spacecraft's periapsis within an allocated atmospheric density corridor, which is accomplished by raising or lowering periapsis through one or a series of very small and short maneuvers. These maneuvers must be performed as efficiently as possible due to propellant constraints. Work herein details a fast and accurate method to calculate the required impulsive velocity changes in the orbit to guarantee that the spacecraft remains in a prescribed density corridor. The method makes use of the orbit's state transition matrix to map the solution space around the reference orbit. It evaluates the most efficient maneuver epochs to target a given periapsis change with a linear optimal control for single or multiple maneuvers. A fast calculation of the maneuver allows for a more comprehensive evaluation of the trade space, and the selected maneuver may be re-targeted later with a higher- fidelity model. Comparisons against fully propagated models and direct method optimizations demonstrate the new method's performance.

Sarli, Bruno V.↗

DOE OSTI2025

Open Power System Datasets and Open Simulation Engines: A Survey Toward Machine Learning Applications

A major factor behind the success of machine learning (ML) models in multiple domains is the availability and accessibility of large, labeled, and well-organized datasets for training and benchmarking. In comparison, power grid datasets face three major challenges: (i) real-world data is often restricted by regulatory constraints, privacy reasons, or security concerns, making it difficult to obtain and work with; (ii) synthetic datasets, which are created to address these limitations, often have incomplete information and are released using specialized tools, making them inaccessible to the broader community; and, (iii) input-output datasets are difficult to generate through simulation for non-experts because open-source simulators are not known outside the power system community. This survey addresses these challenges by serving as an entry point to publicly available datasets and simulators for researchers venturing in this area. We review the current landscape of open-source power network data, machine models, consumer demand profiles, renewable generation data, and inverter models. We also examine open-source power system simulators, which are crucial for generating high-quality, high-fidelity power grid datasets. We aim to provide a foundation for overcoming data scarcity and advance towards a structured web of datasets and simulators to support the development of ML for power systems.

42 ENGINEERING↗

DOE OSTI2022

A review of computing-based automated fault detection and diagnosis of heating, ventilation and air conditioning systems

We report faults in Heating, Ventilation, and Air Conditioning (HVAC) systems of buildings result in significant energy waste in building operation. With fast-growing sensing data availability and advancement in computing, computational modeling has demonstrated strong capability to detect and diagnose HVAC system faults, hence, ensuring efficient building operation. This paper comprehensively reviews the state-of-the-art computing-based fault detection and diagnosis (FDD) for HVAC systems. Overall, the reviewed computing-based FDD methods are classified as two major approaches: knowledge-based and data-driven approaches. We then identify multiple important topics, including data availability, training data size, data quality, approach generality, capability, interpretability, and required modeling efforts, along with corresponding metrics to summarize the most updated FDD development. Generally, the knowledge-based approaches are further divided as physics-based modeling, Diagnostic Bayesian Network, and performance indicator-based methods while data-driven approaches include supervised learning, unsupervised learning, and regression and statistics-based methods. State-of-the-art FDD development, remaining challenges, and future research directions are further discussed to push forward FDD in practice. Availability of fault data, capability of existing methods to deal with complex fault situations (such as simultaneous faults), modeling interpretability for data-driven methods, and required engineering efforts for physics-based methods are identified as remaining challenges in FDD development. Improving modeling fidelity and reducing modeling efforts are essential for applying physics-based methods in real buildings. Meanwhile, addressing fault data availability, increasing algorithm adaptability, and handling multiple faults are essential to further enhance the applicability of data-driven FDD approaches.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2020

Structural trends in atomic nuclei from laser spectroscopy of tin

Tin is the chemical element with the largest number of stable isotopes. Its complete proton shell, comparable with the closed electron shells in the chemically inert noble gases, is not a mere precursor to extended stability; since the protons carry the nuclear charge, their spatial arrangement also drives the nuclear electromagnetism. We report high-precision measurements of the electromagnetic moments and isomeric differences in charge radii between the lowest 1/2 + , 3/2 + , and 11/2 - states in 117–131 Sn, obtained by collinear laser spectroscopy. Supported by state-of-the-art atomic-structure calculations, the data accurately show a considerable attenuation of the quadrupole moments in the closed-shell tin isotopes relative to those of cadmium, with two protons less. Linear and quadratic mass-dependent trends are observed. While microscopic density functional theory explains the global behaviour of the measured quantities, interpretation of the local patterns demands higher-fidelity modelling.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2025

IoT Firmware Emulation and Its Security Application in Fuzzing: A Critical Revisit

As IoT devices with microcontroller (MCU)-based firmware become more common in our lives, memory corruption vulnerabilities in their firmware are increasingly targeted by adversaries. Fuzzing is a powerful method for detecting these vulnerabilities, but it poses unique challenges when applied to IoT devices. Direct fuzzing on these devices is inefficient, and recent efforts have shifted towards creating emulation environments for dynamic firmware testing. However, unlike traditional software, firmware interactions with peripherals that are significantly more diverse presents new challenges for achieving scalable full-system emulation and effective fuzzing. This paper reviews 27 state-of-the-art works in MCU-based firmware emulation and its applications in fuzzing. Instead of classifying existing techniques based on their capabilities and features, we first identify the fundamental challenges faced by firmware emulation and fuzzing. We then revisit recent studies, organizing them according to the specific challenges they address, and discussing how each specific challenge is addressed. We compare the emulation fidelity and bug detection capabilities of various techniques to clearly demonstrate their strengths and weaknesses, aiding users in selecting or combining tools to meet their needs. Finally, we highlight the remaining technical gaps and point out important future research directions in firmware emulation and fuzzing.

Zhou, Wei (ORCID:0000000178340839)↗

NASA NTRS2014

Lunar Polar Environmental Testing: Regolith Simulant Conditioning

As ISRU system development approaches flight fidelity, there is a need to test hardware in relevant environments. Extensive laboratory and field testing have involved relevant soil (lunar regolith simulants), but the current design iterations necessitate relevant pressure and temperature conditions. Including significant quantities of lunar regolith simulant in a thermal vacuum chamber poses unique challenges. These include facility operational challenges (dust tolerant hardware) and difficulty maintaining a pre-prepared soil state during pump down (consolidation state, moisture retention).For ISRU purposes, the regolith at the lunar poles will be of most interest due to the elevated water content. To test at polar conditions, the regolith simulant must be doped with water to an appropriate percentage and then chilled to cryogenic temperatures while exposed to vacuum conditions. A 1m tall, 28cm diameter bin of simulant was developed for testing these simulant preparation and drilling operations. The bin itself was wrapped with liquid nitrogen cooling loops (100K) so that the simulant bed reached an average temperature of 140K at vacuum. Post-test sampling was used to determine desiccation of the bed due to vacuum exposure. Depth dependent moisture data is presented from frozen and thawed soil samples.Following simulant only evacuation tests, drill hardware was incorporated into the vacuum chamber to test auguring techniques in the frozen soil at thermal vacuum conditions. The focus of this testing was to produce cuttings piles for a newly developed spectrometer to evaluate. This instrument, which is part of the RESOLVE program science hardware, detects water signatures from surface regolith. The drill performance, behavior of simulant during drilling, and characteristics of the cuttings piles will be offered.

lunar regolith↗

NASA NTRS2014

Lunar Polar Environmental Testing: Regolith Simulant Conditioning

in situ resource utilization↗

NASA NTRS2017

Low-Reynolds Number Aerodynamics of an 8.9 Percent Scale Semispan Swept Wing for Assessment of Icing Effects

Aerodynamic assessment of icing effects on swept wings is an important component of a larger effort to improve three-dimensional icing simulation capabilities. An understanding of ice-shape geometric fidelity and Reynolds and Mach number effects on the iced-wing aerodynamics is needed to guide the development and validation of ice-accretion simulation tools. To this end, wind-tunnel testing and computational flow simulations were carried out for an 8.9%-scale semispan wing based upon the Common Research Model airplane configuration. The wind-tunnel testing was conducted at the Wichita State University 7 ft x 10 ft Beech wind tunnel from Reynolds numbers of 0.8×10(exp 6) to 2.4×10(exp 6) and corresponding Mach numbers of 0.09 to 0.27. This paper presents the results of initial studies investigating the model mounting configuration, clean-wing aerodynamics and effects of artificial ice roughness. Four different model mounting configurations were considered and a circular splitter plate combined with a streamlined shroud was selected as the baseline geometry for the remainder of the experiments and computational simulations. A detailed study of the clean-wing aerodynamics and stall characteristics was made. In all cases, the flow over the outboard sections of the wing separated as the wing stalled with the inboard sections near the root maintaining attached flow. Computational flow simulations were carried out with the ONERA elsA software that solves the compressible, three-dimensional RANS equations. The computations were carried out in either fully turbulent mode or with natural transition. Better agreement between the experimental and computational results was obtained when considering computations with free transition compared to turbulent solutions. These results indicate that experimental evolution of the clean wing performance coefficients were due to the effect of three-dimensional transition location and that this must be taken into account for future data analysis. This research also confirmed that artificial ice roughness created with rapid-prototype manufacturing methods can generate aerodynamic performance effects comparable to grit roughness of equivalent size when proper care is exercised in design and installation. The conclusions of this combined experimental and computational study contributed directly to the successful implementation of follow-on test campaigns with numerous artificial ice-shape configurations for this 8.9% scale model.

Aerodynamics↗

DOE OSTI2026

Seismic Elastic Double-Beam Characterization of Faults and Fractures for CO₂ Storage Site Selection

Site characterization for underground injection and storage of gigatonne-scale CO₂ requires reliable and cost-effective methods to detect and characterize faults and fractures and to assess their stress state and fault activation potential. This is critical, as wastewater injection and disposal have been shown to activate faults and induce earthquakes, and CO₂ leakage remains a key concern for long-term storage. In this project, we developed seismic methods to detect and characterize large-scale sedimentary and crystalline basement faults and associated small-scale fractures below conventional seismic imaging resolution using multicomponent (9C) surface seismic data. Machine learning was used to automatically interpret large-scale faults, providing key information for estimating the maximum magnitude of potential induced earthquakes. High-fidelity imaging was achieved by exploiting redundancy across multiple elastic wave modes, where independent images from different modes and frequencies cross-validate each other. We also used our nonlinear signal comparison (NLSC) method for ground roll removal, improving data quality in complex near-surface conditions. The methods were validated using field data acquired in central Montana. Results show that basement faults extend into the sedimentary section and that small-scale fractures are widespread above the basement. The inferred stress orientation is consistent with regional stress data, and the estimated maximum induced earthquake magnitude is small (Mw ~2.3). The developed workflow provides a practical approach for fault and fracture characterization and for assessing induced seismicity and leakage risk. It is directly applicable to CO₂ storage site selection and to other subsurface systems.

02 PETROLEUM↗

DOE OSTI2024

Heralded Generation of Correlated Photon Pairs from CdS/CdSe/CdS Quantum Shells

Quantum information processing demands efficient quantum light sources (QLS) capable of producing high-fidelity single photons or entangled photon pairs. Single epitaxial quantum dots (QDs) have long been proven to be efficient sources of deterministic single photons; however, their production via molecular-beam epitaxy presents scalability challenges. Conversely, colloidal semiconductor QDs offer scalable solution processing and tunable photoluminescence, but suffer from broader linewidths and unstable emissions. This leads to spectrally inseparable emission from exciton (X) and biexciton (XX) states, complicating the production of single photons and triggered photon pairs. Here, in this work, we demonstrate that colloidal semiconductor quantum shells (QSs) achieve significant spectral separation (∼75–80 meV) and long temporal stability of X and XX emissive states, enabling the observation of exciton-biexciton bunching in colloidal QDs. Our low-temperature single-particle measurements show cascaded XX-X emission of single photon pairs for over 200 s, with minimal overlap between X and XX features. The X-XX distinguishability allows for an in-depth theoretical characterization of cross-correlation strength, placing it in perspective with photon pairs of epitaxial counterparts. These findings highlight a strong potential of semiconductor quantum shells for applications in quantum information processing.

biexciton↗

DOE OSTI2021

Substitution Reactions in the Pyrolysis of Acetone Revealed through a Modeling, Experiment, Theory Paradigm

The development of high-fidelity mechanisms for chemically reactive systems is a challenging process that requires the compilation of rate descriptions for a large and somewhat ill-defined set of reactions. The present unified combination of modeling, experiment, and theory provides a paradigm for improving such mechanism development efforts. Here we combine broadband rotational spectroscopy with detailed chemical modeling based on rate constants obtained from automated ab initio transition state theory-based master equation calculations and high-level thermochemical parametrizations. Broadband rotational spectroscopy offers quantitative and isomer-specific detection by which branching ratios of polar reaction products may be obtained. Using this technique, we observe and characterize products arising from H atom substitution reactions in the flash pyrolysis of acetone (CH 3 C(O)CH 3 ) at a nominal temperature of 1800 K. The major product observed is ketene (CH 2 CO). Minor products identified include acetaldehyde (CH 3 CHO), propyne (CH 3 CCH), propene (CH 2 CHCH 3 ), and water (HDO). Literature mechanisms for the pyrolysis of acetone do not adequately describe the minor products. The inclusion of a variety of substitution reactions, with rate constants and thermochemistry obtained from automated ab initio kinetics predictions and Active Thermochemical Tables analyses, demonstrates an important role for such processes. Furthermore, the pathway to acetaldehyde is shown to be a direct result of substitution of acetone's methyl group by a free H atom, while propene formation arises from OH substitution in the enol form of acetone by a free H atom.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Perovskite neural trees

Trees are used by animals, humans and machines to classify information and make decisions. Natural tree structures displayed by synapses of the brain involves potentiation and depression capable of branching and is essential for survival and learning. Demonstration of such features in synthetic matter is challenging due to the need to host a complex energy landscape capable of learning, memory and electrical interrogation. We report experimental realization of tree-like conductance states at room temperature in strongly correlated perovskite nickelates by modulating proton distribution under high speed electric pulses. This demonstration represents physical realization of ultrametric trees, a concept from number theory applied to the study of spin glasses in physics that inspired early neural network theory dating almost forty years ago. We apply the tree-like memory features in spiking neural networks to demonstrate high fidelity object recognition, and in future can open new directions for neuromorphic computing and artificial intelligence.

36 MATERIALS SCIENCE↗