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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 739 records · Page 41
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Computer Vision Pipeline for Image Analysis for Freeze‐Fracture Electron Microscopy: Rosette Cellulose Synthase Complexes Case

In materials science, plant biology, agriculture, and environmental research, the automated analysis of high-magnification, complex microscopy images, such as those generated by freeze-fracture electron microscopy (FF-TEM), remains a critical challenge that limits the scalability of data interpretation. We present a deep learning computer vision pipeline for high-throughput detection and morphological characterization analysis of cellulose synthase complexes (CSCs, or rosettes) in FF-TEM images. The pipeline integrates preprocessing, detection, human-in-the-loop verification, and semantic segmentation to quantify features such as rosette diameter and inter-lobe spacing. The approach was trained and tested on a curated dataset of high-resolution FF-TEM micrographs of Physcomitrium patens, expanded via strategic tiling and augmentation to over 650 images. We compare YOLOv8 and YOLOv9 architectures and demonstrate that YOLOv9 achieves superior performance in both localization accuracy (mAP50-95 = 0.854) and inference speed. The resulting distributions revealed biological variability consistent with prior manual studies, validating the approach for high-throughput applications. Our results show that the pipeline achieves human-expert level accuracy while dramatically reducing analysis time, enabling scalable, reproducible structural characterization of intramembrane protein complexes. The pipeline is broadly applicable to other domains requiring precise interpretation of complex microscopy data and establishes a foundation for future artificial intelligence (AI)-assisted workflows in biological imaging.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

From calibration to parameter learning: Harnessing the scaling effects of big data in geoscientific modeling

Abstract The behaviors and skills of models in many geosciences (e.g., hydrology and ecosystem sciences) strongly depend on spatially-varying parameters that need calibration. A well-calibrated model can reasonably propagate information from observations to unobserved variables via model physics, but traditional calibration is highly inefficient and results in non-unique solutions. Here we propose a novel differentiable parameter learning (dPL) framework that efficiently learns a global mapping between inputs (and optionally responses) and parameters. Crucially, dPL exhibits beneficial scaling curves not previously demonstrated to geoscientists: as training data increases, dPL achieves better performance, more physical coherence, and better generalizability (across space and uncalibrated variables), all with orders-of-magnitude lower computational cost. We demonstrate examples that learned from soil moisture and streamflow, where dPL drastically outperformed existing evolutionary and regionalization methods, or required only ~12.5% of the training data to achieve similar performance. The generic scheme promotes the integration of deep learning and process-based models, without mandating reimplementation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

First High-Throughput Evaluation of Dark Matter Detector Materials

In this work we perform the first high-throughput search and evaluation of materials that can serve as excellent low-mass dark matter detectors. Using properties of close to 1000 materials from the Materials Project database, we project the sensitivity in dark matter parameter space for experiments constructed from each material, including both absorption and scattering processes between dark matter and electrons. Using the anisotropic materials in the dataset, we further compute the level of daily modulation in interaction rates and the resulting directional sensitivities, highlighting materials with prospects to detect the dark matter wind. Our methods provide the basic tools for the data-driven design of dark matter detectors, and our findings lay the groundwork for the next generation of highly optimized direct searches for dark matter as light as the keV scale. This represents a major step in the application of results from condensed matter physics to dark matter search design.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1989

Fluid flow analysis of the SSME high pressure fuel and oxidizer turbine coolant systems

The objective is to provide improved analysis capability for the Space Shuttle Main Engine (SSME) high pressure fuel and oxidizer turbine coolant systems. Each of the systems was analyzed to determine fluid flow rate and thermodynamic and transport properties at all key points in the systems. Existing computer codes were used as a baseline for these analyses. These codes were modified to provide improved analysis capability. The major areas of improvement are listed. A review of the drawings was performed, and pertinent geometry changes were included in the models. Improvements were made in the calculation of thermodynamic and transport properties for a mixture of hydrogen and steam. A one-dimensional turbine model for each system is included as a subroutine to each code. This provides a closed loop analysis with a minimum of required boundary conditions as input. An improved labyrinth seal model is included in the high pressure fuel turbine coolant model. The modifications and the analysis results are presented in detail.

Teal, G. A.↗
NASA NTRS1990

Principal investigator in a box: Version 1.2 documentation

Principal Investigator (PI) in a box is a computer system designed to help optimize the scientific results of experiments that are performed in space. The system will assist the astronaut experimenters in the collection and analysis of experimental data, recognition and pursuit of 'interesting' results, optimal use of the time allocated to the experiment, and troubleshooting of the experiment apparatus. This document discusses the problems that motivate development of 'PI-in-a-box', and presents a high- level system overview and a detailed description of each of the modules that comprise the current version of the system.

Jurine Adolph↗
NASA NTRS1993

Space Shuttle Main Engine real time stability analysis

The Space Shuttle Main Engine (SSME) is a reusable, high performance, liquid rocket engine with variable thrust. The engine control system continuously monitors the engine parameters and issues propellant valve control signals in accordance with the thrust and mixture ratio commands. A real time engine simulation lab was installed at MSFC to verify flight software and to perform engine dynamic analysis. A real time engine model was developed on the AD100 computer system. This model provides sufficient fidelity on the dynamics of major engine components and yet simplified enough to be executed in real time. The hardware-in-the-loop type simulation and analysis becomes necessary as NASA is continuously improving the SSME technology, some with significant changes in the dynamics of the engine. The many issues of interfaces between new components and the engine can be better understood and be resolved prior to the firing of the engine. In this paper, the SSME real time simulation Lab at the MSFC, the SSME real time model, SSME engine and control system stability analysis, both in real time and non-real time is presented.

Kuo, F. Y.↗
NASA NTRS2005

Learning Lessons from the X-37 Project

The X-37 was planned as an automated vehicle capable of flight-testing new aerospace technologies in combined environments that are beyond the capability of existing ground or flight platforms. Flight demonstration with the X-37 architecture and configuration in relevant environments was planned to reduce the risk of developing launch vehicle technologies for sustainable, affordable exploration and other aerospace applications. Current plans are for the X-37 Approach and Landing Test Vehicle (ALTV) to be atmospheric tested in 2005 from Scaled Composite's White Knight carrier aircraft at up to 40,000 feet over California's Mojave Spaceport, with and turnaround maintenance performed. The fight Operations Control Center will conduct the mission, using a streamlined operations concept. Taxi-tow and captive-carry tests will be conducted prior to the atmospheric-test series. Sponsored by the Defense Advanced Research Projects Agency (DARPA) with NASA participation, technical objectives are to: (1) mature Computed Air Data System/Remote Pressure Sensor technology, (2) manage energy during Terminal Area Energy Management/Heading Alignment Cone maneuvers, and (3) validate the aerodatabase. The X-37 Project began in 1999 under a cooperative agreement as an element of NASA's Future X Program and transitioned to a NASA Research Announcement under the Space Launch Initiative. In mid-2004, NASA transferred ownership to DARPA, with its heritage of performing high-risk, high-payoff research and development. NASA contributes technical expertise, including risk analysis and system integration. The Boeing Company is the prime contractor, with nationwide suppliers. This recent partnership exemplifies the synergy attainable when NASA Centers, other Government agencies, and industry work together toward a common goal - contributing to the knowledge base for U.S. exploration and other aerospace endeavors. The X-37 team represents a range of space transportation disciplines - from engineering to management. Some members have been with the project since its inception. All have gained priceless experience during the design, manufacturing, and testing of the ALTV, as well as through developing advanced orbital flight technologies, such as state-of-the-art Thermal Protection Systems and hot structures. Throughout this process, the X-37 Project team captures lessons that are directly applicable to other such efforts. The upcoming ALTV flights offer another dimension of data and first-hand experience that will prove invaluable to those designing new generations of reusable spacecraft. And ongoing technology developments will expand the aerospace knowledge base. Delivering prototype hardware is always a risky proposition. During the course of the X-37 effort, the team has experienced many challenging opportunities, delivering significant accomplishments and learning numerous lessons in the process. The ability to manage the risk landscape is key to overcoming obstacles, especially technical hurdles that are encountered in progressing hardware from design to flight. The approach to managing risk under this partnership is evolving but, in general, the team allocates resources to reduce the likelihood of severe-consequence risks, thus maximizing mission success and ensuring that the X-37 Project delivers value to its stakeholders. As the team sharpens its focus on operations, it continues to contribute knowledge to those who would undertake high-risk, high-payoff research and development and provides valuable experience to implement the exploration vision.

Turner, Susan↗
NASA NTRS2005

Learning Lessons from the X-37 Project

The X-37 was planned as an automated vehicle capable of flight-testing new aerospace technologies in combined environments that are beyond the capability of existing ground or flight platforms. Flight demonstration with the X-37 architecture and configuration in relevant environments was planned to reduce the risk of developing launch vehicle technologies for sustainable, affordable exploration and other aerospace applications. Current plans are for the X-37 Approach and Landing Test Vehicle (ALTV) to be atmospheric tested in 2005 from Scaled Composite s White Knight carrier aircraft at up to 40,000 feet over California's Mojave Spaceport, with landing and turnaround maintenance performed. The Flight Operations Control Center will conduct the mission, using a streamlined operations concept. Taxi-tow and captive-carry tests will be conducted prior to the atmospheric-test series. Sponsored by the Defense Advanced Research Projects Agency (DARPA) with NASA participation, technical objectives are to: (1) mature Computed Air Data System/Remote Pressure Sensor technology, (2) manage energy during Terminal Area Energy Management/Heading Alignment Cone maneuvers, and (3) validate the aerodatabase. The X-37 Project began in 1999 under a cooperative agreement as an element of NASA's Future X Program and transitioned to a NASA Research Announcement under the Space Launch Initiative. In mid-2004, NASA transferred ownership to DARPA, with its heritage of performing high-risk, high-payoff research and development (R&D). NASA contributes technical expertise, including risk analysis and system integration. The Boeing Company is the prime contractor, with nationwide suppliers. This partnership exemplifies the synergy attainable when NASA Centers, other Government agencies, and industry work together toward a common goal - contributing to the knowledge base for U.S. exploration and other aerospace endeavors. The X-37 team represents a range of space transportation disciplines - from engineering to management. Some members have been with the project since its inception. All have gained priceless experience during the design, manufacturing, and testing of the ALTV, as well as through developing advanced orbital flight technologies, such as state-of-the-art Thermal Protection Systems and hot structures. Throughout this process, the X-37 Project team captures lessons that are directly applicable to other such efforts. The upcoming ALTV flights offer another dimension of data and first-hand experience that will prove invaluable to those designing new generations of reusable spacecraft. And ongoing technology developments will expand the aerospace knowledge base. Delivering prototype hardware is always a risky proposition. During the course of this effort, the X-37 team has experienced many challenging opportunities, delivering significant accomplishments and learning numerous lessons in the process. The ability to manage the risk landscape is key to overcoming obstacles, especially technical hurdles that are encountered in progressing hardware from design to flight. The approach to managing risk under this partnership is evolving but, in general, the team allocates resources to reduce the likelihood of severe-consequence risks, thus maximizing mission success and ensuring that the X-37 Project delivers value to its stakeholders. As the team sharpens its focus on operations, it continues to contribute knowledge to those who would undertake high-risk, high-payoff R&D and provides valuable experience to implement the Vision for Space Exploration.

Turner, Susan↗
DOE OSTI2021

First principles reactive simulation for equation of state prediction

The high cost of density functional theory (DFT) has hitherto limited the ab initio prediction of the equation of state (EOS). In this article, we employ a combination of large scale computing, advanced simulation techniques, and smart data science strategies to provide an unprecedented ab initio performance analysis of the high explosive pentaerythritol tetranitrate (PETN). Comparison to both experiment and thermochemical predictions reveals important quantitative limitations of DFT for EOS prediction and thus the assessment of high explosives. In particular, we find that DFT predicts the energy of PETN detonation products to be systematically too high relative to the unreacted neat crystalline material, resulting in an underprediction of the detonation velocity, pressure, and temperature at the Chapman–Jouguet state. The energetic bias can be partially accounted for by high-level electronic structure calculations of the product molecules. Furthermore we demonstrate a modeling strategy for mapping chemical composition across a wide parameter space with limited numerical data, the results of which suggest additional molecular species to consider in thermochemical modeling.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

D–MOPH–25: diverse MOF–molecule pairs for Henry’s constants prediction

Computational methods like grand-canonical Monte Carlo simulations and machine learning (ML) have accelerated metal–organic frameworks (MOF) exploration but are typically limited to a narrow range of adsorbates due to data availability and force field constraints. In this study, we introduce a dataset of diverse MOF–molecule pairs for Henry’s constant prediction, D–MOPH–25, which systematically explores a diverse chemical space by combining 113 molecular adsorbates with over 5000 MOF structures through an active learning process. D–MOPH–25 constitutes the most diverse adsorbate dataset used in any ML study of molecular adsorption in MOFs to date. Our workflow builds a benchmark for predicting Henry’s constants at 300 K, leveraging conformal prediction for uncertainty quantification. Assessment through Shannon entropy and uniform manifold approximation and projection confirms the comprehensiveness of D–MOPH–25 while highlighting the importance of robust classification to filter out unphysical data points in regression tasks. Although future enhancements in model architecture and sampling criteria could improve predictive performance, our dataset already spans the target space using only 2.31% of total possibilities. This comprehensive dataset facilitates assessment of model generalizability across adsorbate species and can establish a foundation for high-throughput MOF screening and ML-driven separation processes.

active learning↗
DOE OSTI2021

Bayesian learning of orthogonal embeddings for multi-fidelity Gaussian Processes

Uncertainty propagation in complex engineering systems often poses significant computational challenges related to modeling and quantifying probability distributions of model outputs, as those emerge as the result of various sources of uncertainty that are inherent in the system under investigation. Gaussian Processes regression (GPs) is a robust meta-modeling technique that allows for fast model prediction and exploration of response surfaces. Multi-fidelity variations of GPs further leverage information from cheap and low fidelity model simulations in order to improve their predictive performance on the high fidelity model. In order to cope with the high volume of data required to train GPs in high dimensional design spaces, a common practice is to introduce latent design variables that are typically projections of the original input space to a lower dimensional subspace, and therefore substitute the problem of learning the initial high dimensional mapping, with that of training a GP on a low dimensional space. Here in this paper, we present a Bayesian approach to identify optimal transformations that map the input points to low dimensional latent variables. The \projection" mapping consists of an orthonormal matrix that is considered a priori unknown and needs to be inferred jointly with the GP parameters, conditioned on the available training data. The proposed Bayesian inference scheme relies on a two-step iterative algorithm that samples from the marginal posteriors of the GP parameters and the projection matrix respectively, both using Markov Chain Monte Carlo (MCMC) sampling. In order to take into account the orthogonality constraints imposed on the orthonormal projection matrix, a Geodesic Monte Carlo sampling algorithm is employed, that is suitable for exploiting probability measures on manifolds. We extend the proposed framework to multi-fidelity models using GPs including the scenarios of training multiple outputs together. We validate our framework on three synthetic problems with a known lower-dimensional subspace. The benefits of our proposed framework, are illustrated on the computationally challenging aerodynamic optimization of a last-stage blade for an industrial gas turbine, where we study the effect of an 85-dimensional shape parameterization of a three-dimensional airfoil on two output quantities of interest, specifically on the aerodynamic efficiency and the degree of reaction

42 ENGINEERING↗
NASA NTRS1996

On the Boundary Conditions at an Oscillating Contact Line: A Physical/Numerical Experimental Program

We will pursue an improved physical understanding and mathematical model for the boundary condition at an oscillating contact line at high Reynolds number. We expect that the body force is locally unimportant for earth-based systems, and that the local behavior may dominate the mechanics of partially-filled reservoirs in the microgravity environment. One important space-based application for this contact-line study is for Faraday-waves. Oscillations in the direction of gravity (or acceleration) can dominate the fluid motion during take-off and reentry with large steady-state accelerations and in orbit, where fluctuations on the order of 10(exp -4)g occur about a zero mean. Our experience with Faraday waves has shown them to be 'cleaner' than those produced by vertical or horizontal oscillation of walls. They are easier to model analytically or computationally, and they do not have strong vortex formation at the bottom of the plate. Hence many, if not most, of the experiments will be performed in this manner. The importance of contact lines in the microgravity environment is well established. We will compare high resolution measurements of the velocity field (lO micro-m resolution) using particle-tracking and particle-image velocimetry as the fluid/fluid interface is approached from the lower fluid. The spatial gradients in the deviation provide additional means to determine an improved boundary condition and a measure of the slip region. Dissipation, the size of the eddy near the contact line, and hysteresis will be measured and compare to linear and nonlinear models of viscous and irrotational but dissipative models.

Perlin, Marc↗
NASA NTRS2016

Lightforce Photon-Pressure Collision Avoidance: Efficiency Analysis in the Current Debris Environment and Long-Term Simulation Perspective

This work provides an efficiency analysis of the LightForce space debris collision avoidance scheme in the current debris environment and describes a simulation approach to assess its impact on the long-term evolution of the space debris environment. LightForce aims to provide just-in-time collision avoidance by utilizing photon pressure from ground-based industrial lasers. These ground stations impart minimal accelerations to increase the miss distance for a predicted conjunction between two objects. In the first part of this paper we will present research that investigates the short-term effect of a few systems consisting of 20-kilowatt-class lasers directed by 1.5-meter-diameter telescopes using adaptive optics. The results found such a network of ground stations to mitigate more than 85 percent of conjunctions and could lower the expected number of collisions in Low Earth Orbit (LEO) by an order of magnitude. While these are impressive numbers that indicate LightForce's utility in the short-term, the remaining 15 percent of possible collisions contain (among others) conjunctions between two massive objects that would add large amount of debris if they collide. Still, conjunctions between massive objects and smaller objects can be mitigated. Hence, we choose to expand the capabilities of the simulation software to investigate the overall effect of a network of LightForce stations on the long-term debris evolution. In the second part of this paper, we will present the planned simulation approach for that effort. For the efficiency analysis of collision avoidance in the current debris environment, we utilize a simulation approach that uses the entire Two Line Element (TLE) catalog in LEO for a given day as initial input. These objects are propagated for one year and an all-on-all conjunction analysis is performed. For conjunctions that fall below a range threshold, we calculate the probability of collision and record those values. To assess efficiency, we compare a baseline (without collision avoidance) conjunction analysis with an analysis where LightForce is active. Using that approach, we take into account that collision avoidance maneuvers could have effects on third objects. Performing all-on-all conjunction analyses for extended period of time requires significant computer resources; hence we implemented this simulation utilizing a highly parallel approach on the NASA Pleiades supercomputer.

space debris mitigation↗
DOE OSTI2022

Optimized Quantum Phase Estimation for Simulating Electronic States in Various Energy Regimes

While quantum algorithms for simulation exhibit better asymptotic scaling than their classical counterparts, they currently cannot be implemented on real-world devices. Instead, chemists and computer scientists rely on costly classical simulations of these quantum algorithms. In particular, the quantum phase estimation (QPE) algorithm is among several approaches that have attracted much attention in recent years for its genuine quantum character. However, it is memory-intensive to simulate and intractable for moderate system sizes. Herein, this paper discusses the performance and applicability of QPESIM, a new simulation of the QPE algorithm designed to take advantage of modest computational resources. In particular, we demonstrate the versatility of QPESIM in simulating various electronic states by examining the ground and core-level states of H 2 O. For these states, we also discuss the effect of the active-space size on the quality of the calculated energies. For the high-energy core-level states, we demonstrate that new QPE simulations for active spaces defined by 15 active orbitals significantly reduce the errors in core-level excitation energies compared to earlier QPE simulations using smaller active spaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Integer Sum Reduction with OpenMP on an AMD MI100 GPU

Sum reduction is a primitive operation in parallel computing. Device offload support allows a user to use OpenMP directives to take advantage of a highly capable GPU. In this paper, we present the integer sum reduction annotated with the OpenMP directives and evaluate the performance impacts of tunable parameters with the AOMP and GCC compilers on an AMD MI100 GPU. In addition, we explain the implementations of the OpenMP reduction by the compilers. Sweeping over the pruned parameter space, we find that the speedup is approximately 20 with AOMP, and the reduction performance using AOMP is approximately 11% higher than that using GCC. However, the OpenMP offload performance is approximately 30% lower compared to the performance of the reductions written with rocThrust or hipCUB.

Jin, Zheming↗
NASA NTRS1988

Computer-aided design analysis of 57-mm, angular-contact, cryogenic turbopump bearings

The Space Shuttle main engine high-pressure oxygen turbopumps have not experienced the sevice life required of them. This insufficiency has been due in part to the shortened life of the bearings. To improve the life of the existing turbopump bearings, an effort is under way to investigate bearing modifications that could be retrofitted into the present bearing cavity. Several bearing parameters were optimized using the computer program SHABERTH, which performs a thermomechanical simulation of a load support system. The computer analysis showed that improved bearing performance is feasible if low friction coefficients can be attained. Bearing geometries were optimized considering heat generation, equilibrium temperatures, and relative life. Thermal gradients through the bearings were found to be lower with liquid lubrication than with solid film lubrication, and a liquid oxygen coolant flowrate of approximately 4.0 kg/s was found to be optimal. This paper describes the analytical modeling used to determine these feasible modifications to improve bearing performance.

Armstrong, Elizabeth S.↗
NASA NTRS1986

Space Telescope Antenna Pointing System analysis and test

The Space Telescope (ST), carrying five astronomy instruments, is a long-life spacecraft designed to achieve and maintain ultrafine stabilization jitter performance. The rms jitter specification for pointing performance is 7 marcsec (1sigma) during periods of scientific observation. Spacecraft attitude control is achieved by onboard computer processing of attitude and rate sensor data to generate reaction-wheel torque commands. The ST Antenna Pointing System is used to position a high-gain antenna for relaying science and engineering data from the spacecraft to the ground station.

Dodder, R.↗
NASA NTRS1993

The df: A proposed data format standard

A standard is proposed describing a portable format for electronic exchange of data in the physical sciences. Writing scientific data in a standard format has three basic advantages: portability; the ability to use metadata to aid in interpretation of the data (understandability); and reusability. An improperly formulated standard format tends towards four disadvantages: (1) it can be inflexible and fail to allow the user to express his data as needed; (2) reading and writing such datasets can involve high overhead in computing time and storage space; (3) the format may be accessible only on certain machines using certain languages; and (4) under some circumstances it may be uncertain whether a given dataset actually conforms to the standard. A format was designed which enhances these advantages and lessens the disadvantages. The fundamental approach is to allow the user to make her own choices regarding strategic tradeoffs to achieve the performance desired in her local environment. The choices made are encoded in a specific and portable way in a set of records. A fully detailed description and specification of the format is given, and examples are used to illustrate various concepts. Implementation is discussed.

Lait, Leslie R.↗