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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Real-time data processing for serial crystallography experiments

We report the use of streaming data interfaces to perform fully online data processing for serial crystallography experiments, without storing intermediate data on disk. The system produces Bragg reflection intensity measurements suitable for scaling and merging, with a latency of less than 1 s per frame. Our system uses the CrystFEL software in combination with the ASAP::O data framework. In a series of user experiments at PETRA III, frames from a 16 megapixel Dectris EIGER2 X detector were searched for peaks, indexed and integrated at the maximum full-frame readout speed of 133 frames per second. The computational resources required depend on various factors, most significantly the fraction of non-blank frames ('hits'). The average single-thread processing time per frame was 242 ms for blank frames and 455 ms for hits, meaning that a single 96-core computing node was sufficient to keep up with the data, with ample headroom for unexpected throughput reductions. Further significant improvements are expected, for example by binning pixel intensities together to reduce the pixel count. We discuss the implications of real-time data processing on the `data deluge' problem from recent and future photon-science experiments, in particular on calibration requirements, computing access patterns and the need for the preservation of raw data.

47 OTHER INSTRUMENTATION↗
DOE OSTI2013

Demonstration of Data Center Energy Use Prediction Software

This report documents a demonstration of a software modeling tool from Romonet that was used to predict energy use and forecast energy use improvements in an operating data center. The demonstration was conducted in a conventional data center with a 15,500 square foot raised floor and an IT equipment load of 332 kilowatts. It was cooled using traditional computer room air handlers and a compressor-based chilled water system. The data center also utilized an uninterruptible power supply system for power conditioning and backup. Electrical energy monitoring was available at a number of locations within the data center. The software modeling tool predicted the energy use of the data center's cooling and electrical power distribution systems, as well as electrical energy use and heat removal for the site. The actual energy used by the computer equipment was recorded from power distribution devices located at each computer equipment row. The model simulated the total energy use in the data center and supporting infrastructure and predicted energy use at energy-consuming points throughout the power distribution system. The initial predicted power levels were compared to actual meter readings and were found to be within approximately 10 percent at a particular measurement point, resulting in a site overall variance of 4.7 percent. Some variances were investigated, and more accurate information was entered into the model. In this case the overall variance was reduced to approximately 1.2 percent. The model was then used to predict energy use for various modification opportunities to the data center in successive iterations. These included increasing the IT equipment load, adding computer room air handler fan speed controls, and adding a water-side economizer. The demonstration showed that the software can be used to simulate data center energy use and create a model that is useful for investigating energy efficiency design changes.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS2004

Characterization of Transport Errors in Chemical Forecasts from a Global Tropospheric Chemical Transport Model

We propose a new methodology to characterize errors in the representation of transport processes in chemical transport models. We constrain the evaluation of a global three-dimensional chemical transport model (GEOS-CHEM) with an extended dataset of carbon monoxide (CO) concentrations obtained during the Transport and Chemical Evolution over the Pacific (TRACE-P) aircraft campaign. The TRACEP mission took place over the western Pacific, a region frequently impacted by continental outflow associated with different synoptic-scale weather systems (such as cold fronts) and deep convection, and thus provides a valuable dataset. for our analysis. Model simulations using both forecast and assimilated meteorology are examined. Background CO concentrations are computed as a function of latitude and altitude and subsequently subtracted from both the observed and the model datasets to focus on the ability of the model to simulate variability on a synoptic scale. Different sampling strategies (i.e., spatial displacement and smoothing) are applied along the flight tracks to search for systematic model biases. Statistical quantities such as correlation coefficient and centered root-mean-square difference are computed between the simulated and the observed fields and are further inter-compared using Taylor diagrams. We find no systematic bias in the model for the TRACE-P region when we consider the entire dataset (i.e., from the surface to 12 km ). This result indicates that the transport error in our model is globally unbiased, which has important implications for using the model to conduct inverse modeling studies. Using the First-Look assimilated meteorology only provides little improvement of the correlation, in comparison with the forecast meteorology. These general statements can be refined when the entire dataset is divided into different vertical domains, i.e., the lower troposphere (less than 2 km), the middle troposphere (2-6 km), and the upper troposphere (greater than 6 km). The best agreement between the observations and the model is found in the lower and middle troposphere. Downward displacements in the lower troposphere provide a better fit with the observed value, which could indicate a problem in the representation of boundary layer height in the model. Significant improvement is also found for downward and southward displacements in the upper troposphere. There are several potential sources of errors in our simulation of the continental outflow in the upper troposphere which could lead to such biases, including the location and/or the strength of deep convective cells as well as that of wildfires in Southeast Asia.

Bey, I.↗
NASA NTRS1974

HYDES: A generalized hybrid computer program for studying turbojet or turbofan engine dynamics

This report describes HYDES, a hybrid computer program capable of simulating one-spool turbojet, two-spool turbojet, or two-spool turbofan engine dynamics. HYDES is also capable of simulating two- or three-stream turbofans with or without mixing of the exhaust streams. The program is intended to reduce the time required for implementing dynamic engine simulations. HYDES was developed for running on the Lewis Research Center's Electronic Associates (EAI) 690 Hybrid Computing System and satisfies the 16384-word core-size and hybrid-interface limits of that machine. The program could be modified for running on other computing systems. The use of HYDES to simulate a single-spool turbojet and a two-spool, two-stream turbofan engine is demonstrated. The form of the required input data is shown and samples of output listings (teletype) and transient plots (x-y plotter) are provided. HYDES is shown to be capable of performing both steady-state design and off-design analyses and transient analyses.

Szuch, J. R.↗
NASA NTRS1996

Theoretical Chemistry At NASA Ames Research Center

The theoretical work being carried out in the Computational Chemistry Branch at NASA Ames will be overviewed. This overview will be followed by a more in-depth discussion of our theoretical work to determine molecular opacities for the TiO and water molecules and a discussion of our density function theory (DFT) calculations to determine the harmonic frequencies and intensities to the vibrational bands of polycyclic aromatic hydrocarbons (PAHs) to assess their role as carriers to the unidentified infrared (UIR) bands. Finally, a more in-depth discussion of our work in the area of computational molecular nanotechnology will be presented.

Langhoff, Stephen↗
NASA NTRS2012

Development of a High Resolution Weather Forecast Model for Mesoamerica Using the NASA Ames Code I Private Cloud Computing Environment

Two projects at NASA Marshall Space Flight Center have collaborated to develop a high resolution weather forecast model for Mesoamerica: The NASA Short-term Prediction Research and Transition (SPoRT) Center, which integrates unique NASA satellite and weather forecast modeling capabilities into the operational weather forecasting community. NASA's SERVIR Program, which integrates satellite observations, ground-based data, and forecast models to improve disaster response in Central America, the Caribbean, Africa, and the Himalayas.

Molthan, Andrew↗
DOE OSTI2021

Interactive Supercomputing With Jupyter

Rich user interfaces like Jupyter have the potential to make interacting with a supercomputer easier and more productive, consequently attracting new kinds of users and helping to expand the application of supercomputing to new science domains. For the scientist-user, the ideal rich user interface delivers a familiar, responsive, introspective, modular, and customizable platform upon which to build, run, capture, document, re-run, and share analysis workflows. From the provider or system administrator perspective, such a platform would also be easy to configure, deploy securely, update, customize, and support. Jupyter checks most if not all of these boxes. But from the perspective of leadership computing organizations that provide supercomputing power to users, such a platform should also make the unique features of a supercomputer center more accessible to users and more composable with high performance computing (HPC) workflows. Project Jupyter’s core design philosophy of extensibility, abstraction, and agnostic deployment, has allowed HPC centers like NERSC to bring in advanced supercomputing capabilities that can extend the interactive notebook environment. This has enabled a rich scientific discovery platform, particularly for experimental facility data analysis and machine learning problems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Measuring an Off-center Detonation through Infrared Line Profiles: The Peculiar Type Ia Supernova SN 2020qxp/ASASSN-20jq

In this study, we present and analyze a near-infrared (NIR) spectrum of the underluminous Type Ia supernova SN 2020qxp/ASASSN-20jq obtained with NIRES at the Keck Observatory, 191 days after B-band maximum. The spectrum is dominated by a number of broad emission features, including the [Fe ιι] at 1.644 μm, which is highly asymmetric with a tilted top and a peak redshifted by ≈2000 km s -1 . In comparison with 2D non-LTE synthetic spectra computed from 3D simulations of off-center delayed-detonation Chandrasekhar-mass (M ch ) white dwarf (WD) models, we find good agreement between the observed lines and the synthetic profiles, and are able to unravel the structure of the progenitor’s envelope. We find that the size and tilt of the [Fe ιι] 1.644 μm profile (in velocity space) is an effective way to determine the location of an off-center delayed-detonation transition (DDT) and the viewing angle, and it requires a WD with a high central density of ~4 × 10 9 g cm -3 . We also tentatively identify a stable Ni feature around 1.9 μm characterized by a “pot-belly” profile that is slightly offset with respect to the kinematic center. In the case of SN 2020qxp/ASASSN-20jq, we estimate that the location of the DDT is ~0.3M WD off center, which gives rise to an asymmetric distribution of the underlying ejecta. We also demonstrate that low-luminosity and high-density WD SN Ia progenitors exhibit a very strong overlap of Ca and 56 Ni in physical space. This results in the formation of a prevalent [Ca ιι] 0.73 μm emission feature that is sensitive to asymmetry effects. Our findings are discussed within the context of alternative scenarios, including off-center C/O detonations in He-triggered sub-M Ch WDs and the direct collision of two WDs. Snapshot programs with Gemini/Keck/Very Large Telescope (VLT)/ELT-class instruments and our spectropolarimetry program are complementary to mid-IR spectra by the James Webb Space Telescope (JWST).

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Integrating Data Centers and Grid Technologies at Scale

This presentation focuses on the challenge of integrating AI-driven data centers with the power grid at scale. It examines the AI data center capacity challenge and the role of new Medium Voltage Direct Current (MVDC) and other grid-enhancing technologies in enabling efficient and reliable power delivery. The session will highlight the National Laboratory of the Rockies' ARIES capabilities and planning tools, along with collaborative examples involving Verrus, Compass, and Schneider through the Agora test bed for grid-friendly data center evaluations, and ON. Energy for UPS evaluation. It will showcase the NLR Stable Grid Platform for studying oscillations caused by large-scale data centers, along with planning tools to assess grid security and reliability. Additionally, the presentation covers reconductoring strategies to increase grid capacity and explores innovative data center architectures, including the Advanced DC Architectures with Power-electronic Transformers (ADAPT) platform, which enables testing of complete DC architectures for data centers.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS1988

The design of an onboard digital Doppler processor for a spaceborne scatterometer

A digital Doppler processor, which will permit the Doppler center frequency of the measurement cell bandwidths to be adjusted to compensate for the effects of the earth's rotation, will be used in the next NASA spaceborn scatterometer known as NSCAT. The authors describe the design and genesis of the NSCAT digital Doppler processor and discusses the performance tradeoff issues that were evaluated during the design phase. In this FFT (fast Fourier transform)-based technique, computation of the adjustment to the cell center frequencies will be done onboard using an approximate expression for the Doppler shift of the cell center versus orbit time. This technique also permits modification of the parameters used to locate the radar-backscatter-coefficient measurement cells by ground command in response to orbit changes.

Long, David G.↗
NASA NTRS1998

PCEMCAN - Probabilistic Ceramic Matrix Composites Analyzer: User's Guide, Version 1.0

PCEMCAN (Probabalistic CEramic Matrix Composites ANalyzer) is an integrated computer code developed at NASA Lewis Research Center that simulates uncertainties associated with the constituent properties, manufacturing process, and geometric parameters of fiber reinforced ceramic matrix composites and quantifies their random thermomechanical behavior. The PCEMCAN code can perform the deterministic as well as probabilistic analyses to predict thermomechanical properties. This User's guide details the step-by-step procedure to create input file and update/modify the material properties database required to run PCEMCAN computer code. An overview of the geometric conventions, micromechanical unit cell, nonlinear constitutive relationship and probabilistic simulation methodology is also provided in the manual. Fast probability integration as well as Monte-Carlo simulation methods are available for the uncertainty simulation. Various options available in the code to simulate probabilistic material properties and quantify sensitivity of the primitive random variables have been described. The description of deterministic as well as probabilistic results have been described using demonstration problems. For detailed theoretical description of deterministic and probabilistic analyses, the user is referred to the companion documents "Computational Simulation of Continuous Fiber-Reinforced Ceramic Matrix Composite Behavior," NASA TP-3602, 1996 and "Probabilistic Micromechanics and Macromechanics for Ceramic Matrix Composites", NASA TM 4766, June 1997.

Shah, Ashwin R.↗
NASA NTRS1985

Error Free Software

A mathematical theory for development of "higher order" software to catch computer mistakes resulted from a Johnson Space Center contract for Apollo spacecraft navigation. Two women who were involved in the project formed Higher Order Software, Inc. to develop and market the system of error analysis and correction. They designed software which is logically error-free, which, in one instance, was found to increase productivity by 600%. USE.IT defines its objectives using AXES -- a user can write in English and the system converts to computer languages. It is employed by several large corporations.

Source record↗
NASA NTRS1995

High Performance Parallel Computational Nanotechnology

At a recent press conference, NASA Administrator Dan Goldin encouraged NASA Ames Research Center to take a lead role in promoting research and development of advanced, high-performance computer technology, including nanotechnology. Manufacturers of leading-edge microprocessors currently perform large-scale simulations in the design and verification of semiconductor devices and microprocessors. Recently, the need for this intensive simulation and modeling analysis has greatly increased, due in part to the ever-increasing complexity of these devices, as well as the lessons of experiences such as the Pentium fiasco. Simulation, modeling, testing, and validation will be even more important for designing molecular computers because of the complex specification of millions of atoms, thousands of assembly steps, as well as the simulation and modeling needed to ensure reliable, robust and efficient fabrication of the molecular devices. The software for this capacity does not exist today, but it can be extrapolated from the software currently used in molecular modeling for other applications: semi-empirical methods, ab initio methods, self-consistent field methods, Hartree-Fock methods, molecular mechanics; and simulation methods for diamondoid structures. In as much as it seems clear that the application of such methods in nanotechnology will require powerful, highly powerful systems, this talk will discuss techniques and issues for performing these types of computations on parallel systems. We will describe system design issues (memory, I/O, mass storage, operating system requirements, special user interface issues, interconnects, bandwidths, and programming languages) involved in parallel methods for scalable classical, semiclassical, quantum, molecular mechanics, and continuum models; molecular nanotechnology computer-aided designs (NanoCAD) techniques; visualization using virtual reality techniques of structural models and assembly sequences; software required to control mini robotic manipulators for positional control; scalable numerical algorithms for reliability, verifications and testability. There appears no fundamental obstacle to simulating molecular compilers and molecular computers on high performance parallel computers, just as the Boeing 777 was simulated on a computer before manufacturing it.

Saini, Subhash↗
NASA NTRS2000

Next Generation CTAS Tools

The FAA's Free Flight Phase 1 Office is in the process of deploying the current generation of CTAS tools, which are the Traffic Management Advisor (TMA) and the passive Final Approach Spacing Tool (pFAST), at selected centers and airports. Research at NASA is now focussed on extending the CTAS software and computer human interfaces to provide more advanced capabilities. The Multi-center TMA (McTMA) is designed to operate at airports where arrival flows originate from two or more centers whose boundaries are in close proximity to the TRACON boundary. McTMA will also include techniques for routing arrival flows away from congested airspace and around airspace reserved for arrivals into other hub airports. NASA is working with FAA and MITRE to build a prototype McTMA for the Philadelphia airport. The active Final Approach Spacing Tool (aFAST) provides speed and heading advisories to help controllers achieve accurate spacing between aircraft on final approach. These advisories will be integrated with those in the existing pFAST to provide a set of comprehensive advisories for controlling arrival traffic from the TRACON boundary to touchdown at complex, high-capacity airports. A research prototype of aFAST, designed for the Dallas-Fort Worth is in an advanced stage of development. The Expedite Departure Path (EDP) and Direct-To tools are designed to help controllers guide departing aircraft out of the TRACON airspace and to climb to cruise altitude along the most efficient routes.

Erzberger, Heinz↗
DOE OSTI2020

On a Method For Reconstructing Computed Tomography Datasets from an Unstable Source

As work continues in neutron computed tomography, at Los Alamos Neutron Science Center (LANSCE) and other locations, source reliability over the long imaging times is an issue of increasing importance. Moreover, given the time commitment involved in a single neutron image, it is impractical to simply discard a scan and restart in the event of beam instability. In order to mitigate the cost and time associated with these options, strategies are presented in the current work to produce a successful reconstruction of computed tomography data from an unstable source. The present work uses a high energy neutron tomography dataset from a simulated munition collected at LANSCE to demonstrate the method, which is general enough to be of use in conjunction with unstable X-ray computed tomography sources as well.

47 OTHER INSTRUMENTATION↗
NASA NTRS1922

Location of Center of Pressure of Airplane Wings

Data obtained in the Gottingen Aerodynamic Laboratory give considerable detail on the resulting air force moment exerted on various wing sections at different angles of attack. The Gottingen data can serve well to test the hydrodynamic theory, which (on the assumption of uniform motion and hence of infinitely wide wings) renders it possible to compute this moment as a function of the angle of attack. The Gottigen data can well serve to test the theory and it may be noted that experiment and computation compare favorably.

WINGS↗
DOE OSTI2026

Oak Ridge Computing Academy: An HPC cluster deployment and management pilot

The High Performance Computing Technologies (HPCT) course is a hands-on High Performance Computing (HPC) cluster deployment and management training program offered as part of the International School for Advanced Studies (SISSA) and the International Center for Theoretical Physics (ICTP) Master in High Performance Computing (MHPC) specialization. Here, this training program introduces students to key concepts in cluster configuration. which include networking, software stack provisioning, job scheduling, and monitoring. The publicly available course materials feature several examples and underlying methods that are broadly applicable to cluster deployment and management. This paper discusses the design of a new workforce development program at the Oak Ridge National Laboratory that is based on HPCT, the Oak Ridge Computing Academy (ORCA). The ORCA pilot program was hosted by the Oak Ridge Leadership Computing Facility (OLCF) in Summer 2025. As a part of this discussion, HPCT and ORCA course contents and infrastructure are outlined, ORCA participant experiences are detailed, and potential opportunities for improvement are discussed.

Education↗