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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Integrating quantum computing resources into scientific HPC ecosystems

Quantum Computing (QC) offers significant potential to enhance scientific discovery in fields such as quantum chemistry, optimization, and artificial intelligence. Yet QC faces challenges due to the noisy intermediate-scale quantum era’s inherent external noise issues. Here, this paper discusses the integration of QC as a computational accelerator within classical scientific high-performance computing (HPC) systems. By leveraging a broad spectrum of simulators and hardware technologies, we propose a hardware-agnostic framework for augmenting classical HPC with QC capabilities. Drawing on the HPC expertise of the Oak Ridge National Laboratory (ORNL) and the HPC lifecycle management of the Department of Energy (DOE), our approach focuses on the strategic incorporation of QC capabilities and acceleration into existing scientific HPC workflows. This includes detailed analyses, benchmarks, and code optimization driven by the needs of the DOE and ORNL missions. Our comprehensive framework integrates hardware, software, workflows, and user interfaces to foster a synergistic environment for quantum and classical computing research. This paper outlines plans to unlock new computational possibilities, driving forward scientific inquiry and innovation in a wide array of research domains.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2003

Megawatt Electromagnetic Plasma Propulsion

The NASA Glenn Research Center program in megawatt level electric propulsion is centered on electromagnetic acceleration of quasi-neutral plasmas. Specific concepts currently being examined are the Magnetoplasmadynamic (MPD) thruster and the Pulsed Inductive Thruster (PIT). In the case of the MPD thruster, a multifaceted approach of experiments, computational modeling, and systems-level models of self field MPD thrusters is underway. The MPD thruster experimental research consists of a 1-10 MWe, 2 ms pulse-forming-network, a vacuum chamber with two 32 diffusion pumps, and voltage, current, mass flow rate, and thrust stand diagnostics. Current focus is on obtaining repeatable thrust measurements of a Princeton Benchmark type self field thruster operating at 0.5-1 gls of argon. Operation with hydrogen is the ultimate goal to realize the increased efficiency anticipated using the lighter gas. Computational modeling is done using the MACH2 MHD code, which can include real gas effects for propellants of interest to MPD operation. The MACH2 code has been benchmarked against other MPD thruster data, and has been used to create a point design for a 3000 second specific impulse (Isp) MPD thruster. This design is awaiting testing in the experimental facility. For the PIT, a computational investigation using MACH2 has been initiated, with experiments awaiting further funding. Although the calculated results have been found to be sensitive to the initial ionization assumptions, recent results have agreed well with experimental data. Finally, a systems level self-field MPD thruster model has been developed that allows for a mission planner or system designer to input Isp and power level into the model equations and obtain values for efficiency, mass flow rate, and input current and voltage. This model emphasizes algebraic simplicity to allow its incorporation into larger trajectory or system optimization codes. The systems level approach will be extended to the pulsed inductive thruster and other electrodeless thrusters at a future date.

Gilland, James↗
DOE OSTI2021

Instruction Roofline: An insightful visual performance model for GPUs

The Roofline performance model provides an intuitive approach to identify performance bottlenecks and guide performance optimization. However, the classic FLOP-centric approach is inappropriate for the emerging applications that perform more integer operations than floating point operations. In this article, we reintroduce our Instruction Roofline Model on NVIDIA GPUs and expand our evaluation of it. The Instruction Roofline incorporates instructions and memory transactions across all memory hierarchies together, and provides more performance insights than the FLOP-oriented Roofline Model, that is, instruction throughput, stride memory access patterns, bank conflicts, and thread predication. We use our Instruction Roofline methodology to analyze eight proxy applications: HPGMG from AMReX, Matrix Transpose benchmarks, ADEPT from MetaHipMer's sequence alignment phase, EXTENSION from MetaHipMer's local assembly phase, CUSP, cuSPARSE, cudaTensorCoreGemm, and cuBLAS. We demonstrate the ability of our methodology to understand various aspects of performance and performance bottlenecks on NVIDIA GPUs and motivate code optimizations.

Ding, N↗
DOE OSTI2021

Evaluating CUDA Portability with HIPCL and DPCT

HIPCL is expanding the scope of the CUDA portability route from an AMD platform to an OpenCL platform. In the meantime, the Intel DPC++ Compatibility Tool (DPCT) is migrating a CUDA program to a data parallel C++ (DPC++) program. Towards the goal of portability enhancement, we evaluate the performance of the CUDA applications from Rodinia, SHOC, and proxy applications ported using HIPCL and DPCT on Intel GPUs. After profiling the ported programs, we aim to understand their performance gaps, and optimize codes converted by DPCT to improve their performance. The open-source repository for the CUDA, HIP, and DPCT programs will be useful for the development of a translator.

Jin, Zheming↗
DOE OSTI2024

Field Harmonic Measurement of High-Gradient Permanent Magnet Quadrupoles for NSLS- II Upgrade

The National Synchrotron Light Source II (NSLS-II) is preparing for a major upgrade based on a new lattice concept, known as “Complex Bend,” to replace its existing double bend achromat (DBA) lattice. Here, this novel lattice will use high-gradient permanent magnet quadrupoles (PMQs) with small apertures in the range of 16–22 mm. A prototype complex bend branch with PMQs has been installed in the NSLS-II linac to evaluate the lattice's performance. An accurate and precise magnetic measurement system is required for field harmonic characterization and magnetic tuning of these PMQs. As part of this project a Rotating-Coil bench, based on a Printed Circuit Board (PCB) coil with a 12 mm diameter, has been configured to measure nine PMQs with bore diameter of 12.7 mm. This PCB coil has an active length of 270 mm, and is able to measure fields up to the 15th harmonic of the main field at a reference radius of 5 mm, while maintaining field quality levels within 10 ppm of the main field. This article presents the PCB coil setup, the harmonic measurement results and their temperature dependencies and repeatability. Simulation results on compensation of undesired multipoles using “IDBuilder”, a genetic algorithm-based optimizer code for magnetic tuning is included for field harmonic corrections.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Usable Data Abstractions for Next-Generation Scientific Workflows

Data- and computationally-intensive scientific research, such as numerical simulations and inversions or the training of large neural networks in machine learning applications, that are well suited for HPC environments also often require expert insight and evaluation throughout the computation which can be greatly facilitated with the use of interactive computing tools, such as those in the Jupyter ecosystem. HPC workflows and interactive workflows are typically treated as orthogonal, however, the next generation of research will require both. The first challenge we face in this project is thus designing the right level of abstractions to allow interactive capabilities in the JupyterLab environment to allow the working scientist to flexibly explore and query their data at multiple levels, with a minimal amount of customization required of the underlying optimized codes. In addition to these questions regarding the high-level representation of data for interactive use in HPC, we tackled two additional issues that are part of the entire lifecycle of research and that become particularly acute in HPC contexts: how to improve the experience of interfacing with the HPC system's scheduling environment for a scientist focused on exploratory questions, and how can that scientist then best share the results of their work with others in a self-contained, reproducible manner.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Integrated Optimization and Control of a Hybrid Gas Turbine/sCO 2 Power System

During phase-I, the project team led by Echogen Power Systems (EPS) had two primary objectives based on investigating the application of gas turbines with supercritical carbon dioxide (sCO 2 ) power cycles. The first objective was to improve the overall efficiency and performance of a hybrid gas turbine/sCO 2 power system through a joint optimization of the two subsystems (gas turbine and sCO 2 power cycle) using non-linear optimization techniques that simultaneously evaluate thermal performance of the combined cycle. The hybrid power system included several points of interaction, including (but not limited to) gas turbine exhaust, fuel heating, inlet chilling and turbine cooling. The second objective was to establish a baseline transient response model of the hybrid power system and a notional microgrid and begin steps to integrate the control systems of the three major elements (gas turbine, sCO 2 cycle and grid controller). The project team established a baseline performance for a combined cycle power plant using a production gas turbine and scaled sCO 2 power cycle only utilizing exhaust heat recovery. Echogen’s non-linear techno-economic optimization code was extended by adding gas turbine component models derived from a in-house developed gas turbine design code. With the two cycles coupled by the gas turbine exhaust, design parameters of both cycles were allowed to vary simultaneously to determine performance opportunity versus isolated designs. Returning to the baseline gas turbine/sCO 2 power cycle transient models: Echogen had in-house developed sCO 2 cycle transient model in GT-Suite system simulation software, and had partnered with Siemens Finspång for gas turbine transient model, and Siemens PTI group to provide micro-grid load profile as well as hybrid power cycle generated load (power and frequency) analysis. The transient model for the SGT-750 Siemens gas turbine was a “black-box” functional mock-up interface (FMI) model developed by Siemens Industrial Turbomachinery in Finspång, Sweden. The SGT-750 is a twin-shaft gas turbine that produces 40 MW electricity with an efficiency of about 40% at ISO conditions. At 100% gas turbine throttle (load), the SGT-750 has average exhaust conditions of 114.6 kg/s and 469.8°C. The transient model for sCO 2 power cycle was developed by Echogen in GT-SUITE 1D system simulation software platform. The basic CO 2 flow circuit has single-shaft turbomachinery with net 11.5 MW electrical power output at design conditions. The power turbine has a double-ended shaft with one end connected to synchronous generator through a fixed-ratio gearbox. The other end of power turbine is connected to the compressor through a continuously variable transmission. The major components of the sCO 2 power cycle modeled include air cooled condenser/cooler, CO 2 compressor, recuperator, two waste heat exchanger coils, power turbine, continuous variable transmission, gearbox and generator. Integration of SGT-750 transient model and sCO 2 power cycle transient model was done in Matlab Simulink. In the integrated model, the gas turbine and sCO 2 power cycle interacted at two points, first one being the gas turbine exhaust gas flow rate and temperature, which were inputs to sCO 2 power cycle model. The second point was the distribution of micro-grid load demand signal between the SGT-750 generator and sCO 2 cycle generator. For a given combined-cycle load demand, the gas turbine load demand was equal to the total demand minus the sCO 2 cycle power generated. In the present study the integrated model was simulated for two cases of grid load demand: (i) for a step change, both positive-step and negative-step, in grid load demand (ii) for a micro-grid load demand curve provided by Siemens PTI group. Finally, the time series plots representing load demand versus integrated system response were presented including the sCO 2 power cycle control system performance plots. The actual generated power and frequency of both the generators, gas turbine and sCO 2 power cycle, was supplied to Siemens PTI group for dynamic grid assessment, results of which are provided in appendices.

03 NATURAL GAS↗
DOE OSTI2021

Development of Explainable, Knowledge-Guided AI Models to Enhance the E3SM Land Model Development and Uncertainty Quantification

Focal Area(s): (2)Predictive modeling using AI techniques and AI-derived model components; use of AI and other tools to design a prediction system comprising of a hierarchy of models. (3) Insight gleaned from complex data (both observed and simulated) using AI, big data analytics, and other advanced methods, including explainable AI and physics- or knowledge- guided AI. Science Challenge: The Energy Exascale Earth System Model (E3SM) is a fully coupled, state-of-the-science Earth system model that uses code optimized for DOE's advanced computers to address the most critical scientific questions facing our nation and society (Golaz et al., 2019). The E3SM Land model (ELM) is designed to understand how the changes in terrestrial land surfaces will interact with other Earth system components and has been used to understand hydrologic cycles, biogeophysics, and ecosystem dynamics. In spite of great successes, the ELM has several known issues that restrain rapid improvements. For example, the ELM uses equilibrium models to simulate dynamic land-climate interactions and it requires long model spin-up time to identify suitable initial conditions for transient simulations. The ELM lacks built-in uncertainty mechanisms that can improve the robustness of model predictions. The ELM is a holistic, deterministic model system with a rigid design, and in many situations, it is hard to modify the ELM system to incorporate new theory/hypothesis and new data across scales to address emerging science problems (such as predicting the impacts of water cycle extremes). In addition, The ELM is technically optimized for traditional CPU-centric computers and it cannot fully utilize the current and incoming leadership computers for model simulations and uncertainty quantification (UQ). The success of artificial intelligence (AI) has inspired scientists to use AI models to discover intrinsic features from simulation data (Chattopadhyay et al., 2020) and observational data (Reichstein et al., 2019) to gain further process understanding of Earth science problems. However, autonomous AI model training through deep learning usually requires a huge amount of annotated data. To overcome the limitations from the data and computing resources, knowledge-guided AI models are necessary where human-knowledge is ingested in model construction (Banino et al., 2018) and training process (Silver et al., 2016) for efficient learning. Herein, we present a new way that leverages the process understanding from the ELM to guide AI model development for the ELM enhancement and UQ. We hope this study can inspire further Earth and environmental system model developments and transformations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

The US Naval Observatory VLBI Spectroscopic Catalog

Despite their importance for astrometry and navigation, the active galactic nuclei (AGNs) that comprise the International Celestial Reference Frame (ICRF) are relatively poorly understood, with key information such as their spectroscopic redshifts, AGN spectral type, and emission-/absorption-line properties generally missing from the literature. Using an updated, publicly available, state-of-the-art spectroscopic fitting code optimized for the spectra of AGNs from low to high redshift, we present a catalog of emission-line and spectral continuum parameters for 1014 unique ICRF3 objects with single-fiber spectra from the Sloan Digital Sky Survey DR16. We additionally present black hole virial mass scaling relationships that use Hα-, Hβ-, Mg II -, and C IV -based line widths, all consistent with each other, which can be used in studies of radio-loud objects across a wide range of redshifts, and we use these scaling relationships to provide derived properties such as black hole masses and bolometric luminosities for the catalog. We briefly comment on these properties for the ICRF objects, as well as their overall spectroscopic characteristics.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1974

HAL/S-FC compiler system functional specification

Compiler organization is discussed, including overall compiler structure, internal data transfer, compiler development, and code optimization. The user, system, and SDL interfaces are described, along with compiler system requirements. Run-time software support package and restrictions and dependencies are also considered of the HAL/S-FC system.

Source record↗
NASA NTRS1975

A radiation model for geocentric trajectory calculations

A solar cell degradation model developed for the SECKSPOT trajectory optimization code is presented. The model is based on two analytic expressions, one describing solar cell power degradation as a function of 1 MeV equivalent fluence and cell base resistivity and thickness, and one describing a spatial field of 1 MeV equivalent electron flux. The model extends the latitude range, provides a continuous and smooth representation of the flux field, and provides for changing the cell characteristics. Construction of a 1 MeV electron flux model and of a power loss model are described. It is shown that modeling the 1 MeV flux field as a separate entity allows simple consideration of both front and back shielding, and that the coefficients relating to specific cell damage data can be simply updated using the latest cell damage data once the general analytical characteristics of the model have been established.

Malchow, H. L.↗
NASA NTRS1975

Application of multivariable search techniques to the optimization of airfoils in a low speed nonlinear inviscid flow field

Multivariable search techniques are applied to a particular class of airfoil optimization problems. These are the maximization of lift and the minimization of disturbance pressure magnitude in an inviscid nonlinear flow field. A variety of multivariable search techniques contained in an existing nonlinear optimization code, AESOP, are applied to this design problem. These techniques include elementary single parameter perturbation methods, organized search such as steepest-descent, quadratic, and Davidon methods, randomized procedures, and a generalized search acceleration technique. Airfoil design variables are seven in number and define perturbations to the profile of an existing NACA airfoil. The relative efficiency of the techniques are compared. It is shown that elementary one parameter at a time and random techniques compare favorably with organized searches in the class of problems considered. It is also shown that significant reductions in disturbance pressure magnitude can be made while retaining reasonable lift coefficient values at low free stream Mach numbers.

Hague, D. S.↗
NASA NTRS1977

The 4th order GISS model of the global atmosphere

The new GISS 4th order model of the global atmosphere is described. It is based on 4th order quadratically conservative differences with the periodic application of a 16th order filter on the sea level pressure and potential temperature equations, a combination which is approximately enstrophy conserving. Several short range forecasts indicate a significant improvement over 2nd order forecasts with the same resolution (approximately 400 km). However the 4th order forecasts are somewhat inferior to 2nd order forecasts with double resolution. This is probably due to the presence of short waves in the range between 1000 km and 2000 km, which are computed more accurately by the 2nd order high resolution model. An operation count of the schemes indicates that with similar code optimization, the 4th order model will require approximately the same amount of computer time as the 2nd order model with the same resolution. It is estimated that the 4th order model with a grid size of 200 km provides enough accuracy to make horizontal truncation errors negligible over a period of a week for all synoptic scales (waves longer than 1000 km).

Kalnay-Rivas, E.↗
NASA NTRS1979

Air breathing engine/rocket trajectory optimization

This research has focused on improving the mathematical models of the air-breathing propulsion systems, which can be mated with the rocket engine model and incorporated in trajectory optimization codes. Improved engine simulations provided accurate representation of the complex cycles proposed for advanced launch vehicles, thereby increasing the confidence in propellant use and payload calculations. The versatile QNEP (Quick Navy Engine Program) was modified to allow treatment of advanced turboaccelerator cycles using hydrogen or hydrocarbon fuels and operating in the vehicle flow field.

Smith, V. K., III↗
NASA NTRS1981

Capacity of a multimode direct detection optical communication channel

The capacity is derived under both peak and average signal power constraints and without a signal bandwidth constraint. A random telegraph wave type signalling scheme of Kabanov is known to achieve capacity provided enough signalling bandwidth is available. In the absence of received background noise, an optimally coded PPM system is shown to achieve capacity with greatly reduced bandwidth as compared to Kabanov signals.

Tan, H. H.↗