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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 1,189 records · Page 66
All sourcesNASA NTRSDOE OSTI
NASA NTRS1990

A computer model of the electrostatic positioning system

Positioning systems based upon electrstatic forces are being developed for the containerless processing of materials that cannot use acoustic or electromagnetic positioning techniques. Currently, electrode configurations for these electrostatic systems are designed on the basis of approximate analytical calculations and past experience. A three dimensional computer model is being developed that will predict the electrostatic fields and forces for a given electrode configuration and will allow for a more rapid evaluation of proposed designs. Early results of this model are presented.

Gutt, G. M.↗
NASA NTRS1980

Development and fabrication of a solar cell junction processing system

Experiments were completed which indicate that single-pulse, liquid-phase epitaxial regrowth is the optimum technique for pulsed electron beam annealing of ion implantation damage in silicon wafers. An electron beam which covers the entire area of the wafer was chosen for the solar cell processor. Beam control experiments to improve beam propagation and to test the concept of partial space charge and current neutralization were initiated. The electrical parameters of the pulsed electron beam subsystem were chosen on the basis of computer calculations and past experience in pulsed electron accelerator design and operation. The pulser, designated SPI-PULSE 7000, is designed to anneal 10 cm diameter silicon wafers at a rate of 30 per minute. The preliminary design of the major elements of the SPI-PULSE 7000 was completed, and the detailed design of many of the components begun. These elements include a capacitive energy store and charging system, an electron accelerator, a beam control system, a wafer handling system and pressure and vacuum assemblies.

Halvason, W.↗
DOE OSTI2021

Efficient Active Learning for Gaussian Process Classification by Error Reduction

Active learning sequentially selects the best instance for labeling by optimizing an acquisition function to enhance data/label efficiency. The selection can be either from a discrete instance set (pool-based scenario) or a continuous instance space (query synthesis scenario). In this work, we study both active learning scenarios for Gaussian Process Classification (GPC). The existing active learning strategies that maximize the Estimated Error Reduction (EER) aim at reducing the classification error after training with the new acquired instance in a onestep-look-ahead manner. The computation of EER-based acquisition functions is typically prohibitive as it requires retraining the GPC with every new query. Moreover, as the EER is not smooth, it can not be combined with gradient-based optimization techniques to efficiently explore the continuous instance space for query synthesis. To overcome these critical limitations, we develop computationally efficient algorithms for EER-based active learning with GPC. Further, we derive the joint predictive distribution of label pairs as a one-dimensional integral, as a result of which the computation of the acquisition function avoids retraining the GPC for each query, remarkably reducing the computational overhead. We also derive the gradient chain rule to efficiently calculate the gradient of the acquisition function, which leads to the first query synthesis active learning algorithm implementing EER-based strategies. Our experiments clearly demonstrate the computational efficiency of the proposed algorithms. We also benchmark our algorithms on both synthetic and real-world datasets, which show superior performance in terms of sampling efficiency compared to the existing state-of-the-art algorithms.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

evSeq: Cost-Effective Amplicon Sequencing of Every Variant in a Protein Library

Widespread availability of protein sequence-fitness data would revolutionize both our biochemical understanding of proteins and our ability to engineer them. Unfortunately, even though thousands of protein variants are generated and evaluated for fitness during a typical protein engineering campaign, most are never sequenced, leaving a wealth of potential sequence-fitness information untapped. Primarily, this is because sequencing is unnecessary for many protein engineering strategies; the added cost and effort of sequencing is thus unjustified. It also results from the fact that, even though many lower cost sequencing strategies have been developed, they often require at least some sequencing or computational resources, both of which can be barriers to access. In this work, we present every variant sequencing (evSeq), a method and collection of tools/standardized components for sequencing a variable region within every variant gene produced during a protein engineering campaign at a cost of cents per variant. evSeq was designed to democratize low-cost sequencing for protein engineers and, indeed, anyone interested in engineering biological systems. Execution of its wet-lab component is simple, requires no sequencing experience to perform, relies only on resources and services typically available to biology labs, and slots neatly into existing protein engineering workflows. Analysis of evSeq data is likewise made simple by its accompanying software (found at github.com/fhalab/evSeq, documentation at fhalab.github.io/evSeq), which can be run on a personal laptop and was designed to be accessible to users with no computational experience. Here, low-cost and easy to use, evSeq makes collection of extensive protein variant sequence-fitness data practical.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1993

CFD validation of subsonic turbulent planar shear layers

The primary objective of the present study is to assess the limitations and capabilities of RPLUS in predicting the entrainment, mixing, and burning characteristics of a high subsonic planar shear layer; these computations are performed in conjunction with an experiment being conducted at NASA Lewis Research Center. Turbulence is modeled by a two-equation k-epsilon closure modified for compressibility effects. Combustion is modeled by two different models: one in which a finite-rate laminar chemistry model is used for H2-O2 oxidation, and the other based on a composition joint pdf approach to account for the turbulence-chemistry interaction effects. Between upwind and centered differencing schemes, minimal differences are observed for the flow properties of a nonreacting shear layer case studied. In comparison with experimental data, computed growth rates are underpredicted in both reacting and nonreacting cases of a shear layer, but more severely for the reacting flows. However, the qualitative agreement between computation and experiment is reasonably good for the other observable characteristics, and indicative of potential for further improvements.

Lai, H. T.↗
NASA NTRS1988

Ionospheric holes - A review of theory and recent experiments

Artificially induced ionospheric holes result from in situ injections of highly reactive molecules, which greatly enhance the chemical recombination rates between the ions and electrons found in the upper atmosphere. During the past decade, experiment-of-opportunity observations, theory and computer simulations have succeeded in establishing plasma-depletion experiments as a useful tool for probing the normal and disturbed behavior of the ionosphere. Ionospheric-hole experiments now focus on applications of the technique to laboratory-in-space investigations of various space plasma processes.

Mendillo, Michael↗
NASA NTRS1989

Flexible structure control experiments using a real-time workstation for computer-aided control engineering

A Real-Time Workstation for Computer-Aided Control Engineering has been developed jointly by the Communications Research Centre (CRC) and Ruhr-Universitaet Bochum (RUB), West Germany. The system is presently used for the development and experimental verification of control techniques for large space systems with significant structural flexibility. The Real-Time Workstation essentially is an implementation of RUB's extensive Computer-Aided Control Engineering package KEDDC on an INTEL micro-computer running under the RMS real-time operating system. The portable system supports system identification, analysis, control design and simulation, as well as the immediate implementation and test of control systems. The Real-Time Workstation is currently being used by CRC to study control/structure interaction on a ground-based structure called DAISY, whose design was inspired by a reflector antenna. DAISY emulates the dynamics of a large flexible spacecraft with the following characteristics: rigid body modes, many clustered vibration modes with low frequencies and extremely low damping. The Real-Time Workstation was found to be a very powerful tool for experimental studies, supporting control design and simulation, and conducting and evaluating tests withn one integrated environment.

Stieber, Michael E.↗
NASA NTRS1991

Analysis of a thick dichroic plate with rectangular holes at arbitrary angles of incidence

A thick dichroic plate that is transparent to one frequency band while at the same time reflective to other frequencies is needed for high power transmission in the Deep Space Network. Software based on the method of moments was developed to design a thick dichroic plate with rectangular holes. A test dichroic plate was fabricated, and an experiment was performed to verify the computer code. Good agreement was found between theory and experiment.

Chen, J. C.↗
NASA NTRS2005

Training Software in Artificial-Intelligence Computing Techniques

The Artificial Intelligence (AI) Toolkit is a computer program for training scientists, engineers, and university students in three soft-computing techniques (fuzzy logic, neural networks, and genetic algorithms) used in artificial-intelligence applications. The program promotes an easily understandable tutorial interface, including an interactive graphical component through which the user can gain hands-on experience in soft-computing techniques applied to realistic example problems. The tutorial provides step-by-step instructions on the workings of soft-computing technology, whereas the hands-on examples allow interaction and reinforcement of the techniques explained throughout the tutorial. In the fuzzy-logic example, a user can interact with a robot and an obstacle course to verify how fuzzy logic is used to command a rover traverse from an arbitrary start to the goal location. For the genetic algorithm example, the problem is to determine the minimum-length path for visiting a user-chosen set of planets in the solar system. For the neural-network example, the problem is to decide, on the basis of input data on physical characteristics, whether a person is a man, woman, or child. The AI Toolkit is compatible with the Windows 95,98, ME, NT 4.0, 2000, and XP operating systems. A computer having a processor speed of at least 300 MHz, and random-access memory of at least 56MB is recommended for optimal performance. The program can be run on a slower computer having less memory, but some functions may not be executed properly.

Howard, Ayanna↗
NASA NTRS2020

Experimental Validation of Nozzle Flow Simulations for Rotating Detonation Rocket Engines

Rotating detonation engines (RDEs) promise increased thermodynamic performance that may significantly enhance the capabilities of current rocket platforms. Little work has been conducted thus far to characterize the effect of nozzle design on high chamber pressure RDEs. Previous computational work was completed to understand the nozzle performance of the Purdue methane/oxygen rocket RDE. A new experimental study on a similar kerosene/oxygen RDE was conducted to validate the results of the computational study. Both a nozzleless geometry and several aerospike designs were hot-fire tested. New pressure instrumentation on the different nozzle surfaces were included to better understand the flow physics unique to RDE chamber exit conditions. Both the previous computational study and the new experimental results confirmed that for a nozzleless geometry, the RDE cycle enhances suction on the base region, an important result to determining RDE engine performance separate from nozzle effects. While the aerospike experiments showed agreement with computational results, delay of flow separation due to the RDE cycle could not be confirmed. Two aerospike geometries with different nozzle pressure ratios were experimentally evaluated. This study showed both the strength and the necessity for 3D transient computations to better understand the RDE flow field with nozzle geometries.

Alexis J Harroun↗
DOE OSTI2025

Argonne Leadership Computing Facility 2024 Operational Assessment Report

This Operational Assessment Report describes how the Argonne Leadership Computing Facility (ALCF) met or exceeded every goal set by DOE for the calendar year (CY) 2024. In CY 2024, the ALCF operated Polaris, an AMD and NVIDIA-based Hewlett Packard Enterprise (HPE) Apollo 6500 Gen10+ system that provides a powerful platform for breakthrough science and prepares applications and workloads for Aurora, Argonne National Laboratory’s Intel-HPE exascale computer. Since going into production in August 2022, Polaris has supported research teams from the DOE Exascale Computing Project (ECP), which concluded in 2024, and from ALCF’s Aurora Early Science Program (ESP). Polaris delivered a total of 2555.7K node-hours to 17 Innovative and Novel Computational Impact on Theory and Experiment (INCITE) 2024 projects and 601.6K node-hours to ASCR Leadership Computing Challenge (ALCC) projects (12 of which were awarded during the 2023–2024 ALCC year and 11 of which were awarded during the 2024–2025 ALCC year), as well as providing substantial time for Director’s Discretionary (DD) projects (966.2K node-hours). As Table ES.1 shows, Polaris performed exceptionally well in terms of overall availability (97.7 percent), scheduled availability (99.6 percent), and utilization (94.7 percent; Table 2.1). In CY 2024, ALCF supported more than 2,000 users. As of March 18, 2025, ALCF’s users have published 254 papers in peer-reviewed journals and technical proceedings.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1994

The Bond Dissociation Energies of 1-Butene

The bond dissociation energies of 1-butene and several calibration systems are computed using the G2(MP2) approach. The agreement between the calibration systems and experiment is very good. The computed values for 1-butene are compared with calibration systems and the agreement between the computed results for 1-butene and the "rule of thumb" values from the smaller systems is remarkably good.

Bauschlicher, Charles W., Jr.↗
NASA NTRS2003

Simulation of Local Blood Flow in Human Brain under Altered Gravity

In addition to the altered gravitational forces, specific shapes and connections of arteries in the brain vary in the human population (Cebral et al., 2000; Ferrandez et al., 2002). Considering the geometric variations, pulsatile unsteadiness, and moving walls, computational approach in analyzing altered blood circulation will offer an economical alternative to experiments. This paper presents a computational approach for modeling the local blood flow through the human brain under altered gravity. This computational approach has been verified through steady and unsteady experimental measurements and then applied to the unsteady blood flows through a carotid bifurcation model and an idealized Circle of Willis (COW) configuration under altered gravity conditions.

Kim, Chang Sung↗
DOE OSTI2025

Opportunities in full-stack design of low-overhead fault-tolerant quantum computation

Quantum error correction provides a route to realizing large-scale quantum computation but incurs substantial resource overheads. Here, in this work, we highlight recent advances that reduce these overheads by co-designing different levels of the computational stack, including algorithms, quantum-error-correction strategies and hardware architecture. We then discuss opportunities for further optimization such as leveraging flexible qubit connectivity and quantum low-density parity check codes. These strategies can bring useful quantum computation closer to reality as experiments advance in the coming years.

quantum information↗
DOE OSTI2021

PandAna: A Python Analysis Framework for Scalable High Performance Computing in High Energy Physics

Modern experiments in high energy physics analyze millions of events recorded in particle detectors to select the events of interest and make measurements of physics parameters. These data can often be stored as tabular data in files with detector information and reconstructed quantities. Current techniques for event selection in these files lack the scalability needed for high performance computing environments. We describe our work to develop a high energy physics analysis framework suitable for high performance computing. This new framework utilizes modern tools for reading files and implicit data parallelism. Framework users analyze tabular data using standard, easy-to-use data analysis techniques in Python while the framework handles the file manipulations and parallelism without the user needing advanced experience in parallel programming. In future versions, we hope to provide a framework that can be utilized on a personal computer or a high performance computing cluster with little change to the user code.

Groh, Micah↗
DOE OSTI2023

ORNL S/U Capabilities for Critical Experiment Design [Slides]

This presentation is on the Oak Ridge National Labatory (ORNL) S/U capabilities for critical experiment design. It covers a brief intro to TSUNAMI analysis for NCS validation. Additionally, it shows similarity indices and historical use of TSUNAMI for critical experiment design. It concludes with recent designs: IER-441, IER-304, and IER-554 (on-going).

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2024

HPC resources for CMS offline computing: An integration and scalability challenge for the Submission Infrastructure

The computing resource needs of LHC experiments are expected to continue growing significantly during the Run 3 and into the HL-LHC era. The landscape of available resources will also evolve, as High Performance Computing (HPC) and Cloud resources will provide a comparable, or even dominant, fraction of the total compute capacity. The future years present a challenge for the experiments’ resource provisioning models, both in terms of scalability and increasing complexity. The CMS Submission Infrastructure (SI) provisions computing resources for CMS workflows. This infrastructure is built on a set of federated HTCondor pools, currently aggregating 400k CPU cores distributed worldwide and supporting the simultaneous execution of over 200k computing tasks. Incorporating HPC resources into CMS computing represents firstly an integration challenge, as HPC centers are much more diverse compared to Grid sites. Secondly, evolving the present SI, dimensioned to harness the current CMS computing capacity, to reach the resource scales required for the HLLHC phase, while maintaining global flexibility and efficiency, will represent an additional challenge for the SI. To preventively address future potential scalability limits, the SI team regularly runs tests to explore the maximum reach of our infrastructure. In this note, the integration of HPC resources into CMS offline computing is summarized, the potential concerns for the SI derived from the increased scale of operations are described, and the most recent results of scalability test on the CMS SI are reported.

Pérez-Calero Yzquierdo, Antonio↗
NASA NTRS1999

Bursting Bubbles from Combustion of Thermoplastic Materials in Microgravity

Many thermoplastic materials in common use for a wide range of applications, including spacecraft, develop bubbles internally as they burn due to chemical reactions taking place within the bulk. These bubbles grow and migrate until they burst at the surface, forceably ejecting volatile gases and, occasionally, molten fuel. In experiments in normal gravity, Kashiwagi and Ohlemiller observed vapor jets extending a few centimeters from the surface of a radiatively heated polymethylmethacrylate (PMMA) sample, with some molten material ejected into the gas phase. These physical phenomena complicated the combustion process considerably. In addition to the non-steady release of volatiles, the depth of the surface layer affected by oxygen was increased, attributed to the roughening of the surface by bursting events. The ejection of burning droplets in random directions presents a potential fire hazard unique to microgravity. In microgravity combustion experiments on nylon Velcro fasteners and on polyethylene wire insulation, the presence of bursting fuel vapor bubbles was associated with the ejection of small particles of molten fuel as well as pulsations of the flame. For the nylon fasteners, particle velocities were higher than 30 cm/sec. The droplets burned robustly until all fuel was consumed, demonstrating the potential for the spread of fire in random directions over an extended distance. The sequence of events for a bursting bubble has been photographed by Newitt et al.. As the bubble reaches the fluid surface, the outer surface forms a dome while the internal bubble pressure maintains a depression at the inner interface. Liquid drains from the dome until it breaks into a cloud of droplets on the order of a few microns in size. The bubble gases are released rapidly, generating vortices in the quiescent surroundings and transporting the tiny droplets. The depression left by the escaping gases collapses into a central jet, which rises with a high velocity and may break up, releasing one or more relatively large drops (on the order of a millimeter in these experiments). A better understanding of bubble development and bursting processes, the effects of bursting behavior on burning rate of the bulk material, and the circumstances under which large droplets are expelled, as well as their trajectories, sizes, and burning rates, is sought through computer modeling compared with experiment.

Butler, K. B.↗