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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 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
NASA NTRS2011

Advanced high performance vertical hybrid synthetic jet actuator

The present invention comprises a high performance, vertical, zero-net mass-flux, synthetic jet actuator for active control of viscous, separated flow on subsonic and supersonic vehicles. The present invention is a vertical piezoelectric hybrid zero-net mass-flux actuator, in which all the walls of the chamber are electrically controlled synergistically to reduce or enlarge the volume of the synthetic jet actuator chamber in three dimensions simultaneously and to reduce or enlarge the diameter of orifice of the synthetic jet actuator simultaneously with the reduction or enlargement of the volume of the chamber. The jet velocity and mass flow rate for the present invention will be several times higher than conventional piezoelectric synthetic jet actuators.

Xu, Tian-Bing↗
DOE OSTI2024

High Performance Computing Management: A Sustainable System Software Approach

The demand for high performance computing (HPC) resources continues to grow, driven by the increasing complexity of modeling and simulation, artificial intelligence (AI), and machine learning (ML) workloads [Porter]. The growing energy consumption demand of these HPC systems is a significant concern, both in terms of operational costs and environmental impact. AI hardware accelerators are expected to reach 1.5% of the world’s power consumption by 2029 [Shah].

97 - MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Signal Processing Based Method for Real-Time Anomaly Detection in High-Performance Computing

Performance anomalies can manifest as irregular execution times or abnormal execution events for many reasons, including network congestion and resource contention. Detecting such anomalies in real-time by analyzing the details of performance traces at scale is impractical due to the sheer volume of data High-Performance Computing (HPC) applications produce. In this paper, we propose formulating HPC performance anomaly detection as a signal-processing problem where anomalies can be treated as noise. We evaluate our proposed method in comparison with two other commonly used anomaly detection techniques of varying complexity based on their detection accuracy and scalability. Since real-time in-situ anomaly detection at a large scale requires lightweight methods that can handle a large volume of streaming data, we find that our proposed method provides the best trade-off. We then implement the proposed method in Chimbuko, the first online, distributed, and scalable workflow-level performance trace analysis framework. We compare our proposed signal-based anomaly detection algorithm with two other methods using a function of their accuracy, F1 score, and detection overhead. Our experiments demonstrate that our proposed approach achieves a 99% improvement for the benchmark datasets and a 93% improvement with Chimbuko traces.

99 GENERAL AND MISCELLANEOUS↗
NASA NTRS2000

High Performance Fortran for Aerospace Applications

This paper focuses on the use of High Performance Fortran (HPF) for important classes of algorithms employed in aerospace applications. HPF is a set of Fortran extensions designed to provide users with a high-level interface for programming data parallel scientific applications, while delegating to the compiler/runtime system the task of generating explicitly parallel message-passing programs. We begin by providing a short overview of the HPF language. This is followed by a detailed discussion of the efficient use of HPF for applications involving multiple structured grids such as multiblock and adaptive mesh refinement (AMR) codes as well as unstructured grid codes. We focus on the data structures and computational structures used in these codes and on the high-level strategies that can be expressed in HPF to optimally exploit the parallelism in these algorithms.

Mehrotra, Piyush↗
DOE OSTI2026

Optimal Operation of Residential High Performance Water Heater for Reduction of Electricity Cost and Peak Demand Through Field Validation

Water heating accounts for about 18% of a typical US home’s energy use. Modern water heaters have enabled control options through APIs, offering customers the opportunity to reduce their energy cost and peak demand by dynamically adjusting settings. A water heater’s capacity to store energy using its storage tank makes it an asset for peak demand reduction and energy cost savings. For this reason, a mixed-integer linear programming model is proposed to minimize the energy cost of a high-performance water heater while also reducing the peak demand of the residential household under a time-of-use utility rate by dynamically changing the water heater’s running mode. Specifically, a multi-objective optimization model is formulated to determine the mode settings of the water heater considering hot water use, time-of-use rate, and peak demand limit of the residential household. The mode settings are associated with different dead bands of water temperature for triggering on/off action of the heat pump and heating element. A 66-gal hybrid electric high performance water heater was used for numerical simulation and practical experiments. The simulation results were well aligned with measurements of practical experiments, validating the soundness of the thermodynamic model. In addition, reductions of energy cost, enabling affordability, and reducing peak demand are demonstrated. The research team also developed a software framework with dashboards to automatically and continuously monitor and manage devices.

Liu, Guodong [ORNL] (ORCID:0000000213498608)↗
DOE OSTI2025

Simulation of Physics-Based 0-10Hz Strong Motion Using High Performance Computing Supporting Refinements to Regional Ground Motion Models for the Central Eastern US

In collaboration with the U.S. Nuclear Regulatory Commission (NRC) the LLNL has developed a computationally efficient simulation platform designed to perform physics-based ground motion simulations for crustal earthquakes in the Stable Continental Regions of Central and Eastern US (CEUS), using high-performance computing. The main objective of the earthquake simulations was to use synthetic ground motion to provide constrains to refinements of existing ergodic Ground Motion Models (GMMs), for large magnitude earthquakes and near-fault distances, for which these models are less reliable. Physics-based broadband (0-10Hz) ground motion simulations were used to estimate the near-fault ground motion amplitudes and within event and between-event variabilities associated with fault rupture characteristics. In our simulations we used a 3D regional velocity model that was based on Saikia’s 1D velocity model (1994). In simulations performed during the first stage of this project the Saikia’s velocity model demonstrated better performance in modelling high frequency regional wave propagation for the CEUS region recorded during the Mw5.0 November 7, 2016, Cushing Oklahoma (Taylor et al., 2017), and Mw5.8 September 3, 2016, Pawnee Oklahoma earthquakes. The proposed regional 3D model includes random perturbations to the 1D background model using the stochastic scheme of Pitarka and Mellors (2021). In addition, validation analysis of the rupture generator and regional wave propagation models, using comparisons with different GMMs for Mw6.5 and Mw7.0 scenario earthquakes in the CEUS region resulted in a very good match between the simulated and empirical ground motion models. For the purposes of seismic hazard assessment at the existing and planned nuclear power plants, NRC is interested in studies aimed at improving the current ground motion models (GMM) for both Stable Continental Regions (SCR) in the Central and Eastern US and Active Crustal Regions (ACR) in the Western US. Due to lack of recorded data, these improvements require synthetic data for short fault distances and large magnitude earthquakes for which the existing recorded data is not enough to uniquely constrain the GMMs. The need for simulations and strong motion data is especially critical for the CEUS region where we do not have recorded data from potentially large damaging earthquakes with moment magnitudes 6.0 and higher. In this the project, we focused on 10Hz simulations of Mw7.0 scenario earthquakes with strike slip and thrust faulting mechanisms. We used more than 50 Mw7.0 earthquake rupture scenarios to investigate the ground motion uncertainty due to unknown earthquake rupture parameters, in particular, the slip distribution, rupture velocity, and faulting mechanism, and their implication on ground motion amplification due to forward rupture directivity effects.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Monofluorinated acetal electrolyte for high-performance lithium metal batteries

High degree of fluorination for ether electrolytes has resulted in improved cycling stability of lithium metal batteries due to stable solid electrolyte interphase (SEI) formation and good oxidative stability. However, the sluggish ion transport and environmental concerns of high fluorination degree drive the need to develop less fluorinated structures. Here, we depart from the traditional ether backbone and introduce bis(2-fluoroethoxy)methane (F2DEM), featuring monofluorination of the acetal backbone. High coulombic efficiency and stable long-term cycling in Li||Cu half cells can be achieved with F2DEM even under fast Li metal plating conditions. The performance of F2DEM is further compared with diethoxymethane (DEM) and 2-[2-(2,2-difluoroethoxy)ethoxy]-1,1,1-trifluoroethane (F5DEE). A significantly lower overpotential is observed with F2DEM, which improves energy efficiency and enables its application in high-rate conditions. Comparative studies of F2DEM with DEM and F5DEE in anode-free lithium iron phosphate (LiFePO4) LFP pouch cells and high-loading LFP coin cells further show improved capacity retention of F2DEM electrolyte, demonstrating its practical applicability. More importantly, we also extensively investigate the underlying mechanism for the superior performance of F2DEM through various techniques, including X-ray photoelectron spectroscopy, scanning electron microscopy, cryogenic electron microscopy, focused ion beam, electrochemical impedance spectroscopy, and titration gas chromatography. Overall, F2DEM facilitates improved Li deposition morphology with reduced amount of dead Li. This enables F2DEM to show superior performance, especially under higher charging and slower discharging rate conditions.

25 ENERGY STORAGE↗
NASA NTRS2003

Image Processor Electronics (IPE): The High-Performance Computing System for NASA SWIFT Mission

Gamma Ray Bursts (GRBs) are believed to be the most powerful explosions that have occurred in the Universe since the Big Bang and are a mystery to the scientific community. Swift, a NASA mission that includes international participation, was designed and built in preparation for a 2003 launch to help to determine the origin of Gamma Ray Bursts. Locating the position in the sky where a burst originates requires intensive computing, because the duration of a GRB can range between a few milliseconds up to approximately a minute. The instrument data system must constantly accept multiple images representing large regions of the sky that are generated by sixteen gamma ray detectors operating in parallel. It then must process the received images very quickly in order to determine the existence of possible gamma ray bursts and their locations. The high-performance instrument data computing system that accomplishes this is called the Image Processor Electronics (IPE). The IPE was designed, built and tested by NASA Goddard Space Flight Center (GSFC) in order to meet these challenging requirements. The IPE is a small size, low power and high performing computing system for space applications. This paper addresses the system implementation and the system hardware architecture of the IPE. The paper concludes with the IPE system performance that was measured during end-to-end system testing.

Nguyen, Quang H.↗
DOE OSTI2024

Microgrid Integration with High Performance Computing Systems for Microreactor Operation

Multiple nuclear microreactor concepts are currently being developed across several sizes and fuel types with high performance computing (HPC) systems anticipated to be end-users of the power. Nuclear microreactors are small in size, portable, produce less than 10 MW electric, operate autonomously, and have a refueling interval of as many as 10 years. However, their load-follow is also generally limited to 10%/minute or worse whereas the power variance in HPC systems easily exceeds this constraint under normal operations. This study explores an approach that requires no load-follow from the microreactor but integrates the HPC system with a microgrid built from commercial-off-the-shelf components. Three typical HPC architectures are explored in the context of microgrid operation in this study. Components of power quality and transient response are empirically measured for five different HPC load-follow response levels using a self-contained mobile datacenter connected to the microgrid capable of integration with a nuclear microreactor.

microgrids↗
DOE OSTI2023

Ground Motion Models (GMMs) Improvements Using Earthquake Simulations on High Performance Computers

A computationally efficient simulation platform was developed that can provide representative synthetic ground motions from crustal earthquakes in the Stable Continental Regions of Central and Eastern US (CEUS), using 3D modeling and high-performance computing. The main objective was to use synthetic ground motion to provide constrains to refinements of exiting ergodic Ground Motion Models (GMMs), for large magnitude earthquakes and near-fault distances, for which these models are less reliable. Physics-based broadband (0-5Hz) ground motion simulations were used to estimate the near-fault ground motion amplitudes and within event and between-event variabilities associated with fault rupture characteristics. As part of a strategy for selecting a reginal velocity model and validation of developed rupture modeling technique, ground motions from the moment magnitude Mw5.0 November 7, 2016, Cushing Oklahoma, and Mw5.8 September 3, 2016, Pawnee Oklahoma earthquakes were simulated. In our simulations we used a 3D regional velocity model that was based on Saikia’s 1D velocity model. Saikia’s model demonstrated better performance in modelling high frequency regional wave propagation for CEUS region. The proposed 3D model includes lateral variations added to the 1D background model using the stochastic scheme of Pitarka and Mellors. Comparisons of the simulations with recordings of both earthquakes demonstrated the reliability of our deterministic simulation approach while emphasizing the importance of including small-scale variability in the regional velocity model needed to reproduce the observed high-frequency wave scattering effects. As part of validation analysis, comparisons with different GMMs for a Mw6.5 earthquake in the CESUS region resulted in a very good match between the simulated and empirical ground motion models. Initial investigations of within-event and between-event ground motion variabilities for Mw6.5 scenario earthquakes on a strike-slip fault, suggest that they are strongly related to spatial slip and slip rate variations, average rupture velocity, rupture area and rupture initiation location. For certain scenarios we found that the ground motion variability observed at near-fault distances (< 5 km) also persists at longer distances. Regardless of the rupture scenario, the simulated ground motion tends to fully saturate at short distances and for all periods. The near-fault saturation has to do with the attenuation of waves propagating along the fault and local rupture radiation pattern that also contribute to stronger ground motion variation at such distances. Analysis of effects of rupture initiation location suggest that the peak ground motion (PGV) and spectral acceleration (SA) can be quite variable due to rupture directivity effects. Such effects are stronger at periods longer than 1s. The effect of the 1D velocity models and surface topography on simulated ground motion were investigated by comparing three component synthetic seismograms computed at selected sites. Effect of surface topography was considered using the ratio between spectral accelerations simulated for two 1D models with flat surface topography and realistic model with surface topography. Overall, the topography slightly amplifies (by ~30%) the ground motion amplitude in the frequency range 1-3Hz. The effect of topography is more visible in the surface and coda waves portion of the seismograms.

58 GEOSCIENCES↗
DOE OSTI2024

Zero-strain high entropy spinel oxide (FeNiCuCrMn) 3 O 4 @rGO as high-performance anode for sodium ion battery

High entropy spinel oxides (HEOs), as a new type of anode material with at least five transition metal elements and high theoretical specific capacity, have enormous promise in sodium ion batteries (SIBs). However, the influence of different transition metal elements on the structure and electrochemical performances of HEOs is not clear. Here, in this study, the addition of Mn to HEO can increase the surface oxygen vacancy (O v ) concentration, shorten the band gap, and enhance the electrochemical performance of (FeNiCuCrMn) 3 O 4 @rGO. XPS results show (FeNiCuCrMn)3O4@rGO has the highest surface O v concentration. Ab initio calculations demonstrate that the indirect band gap of (FeNiCuCrMn)3O4@rGO is 0.068 eV. In situ X-ray diffraction and synchrotron X-ray absorption spectroscopy reveal that (FeNiCuCrMn) 3 O 4 @rGO exhibits a zero-strain characteristic with an inconsequential unit cell volume change of 0.2 %. Specifically, (FeNiCuCrMn) 3 O 4 @rGO as anode materials for SIBs show good cyclic stability (with a capacity retention of 84 % at 500 mA g −1 after 3000 cycles). Overall, this work provides a new direction for optimizing transition metal elements in HEOs.

36 MATERIALS SCIENCE↗
DOE OSTI2020

PtychoShelves , a versatile high-level framework for high-performance analysis of ptychographic data

Over the past decade, ptychography has been proven to be a robust tool for non-destructive high-resolution quantitative electron, X-ray and optical microscopy. It allows for quantitative reconstruction of the specimen's transmissivity, as well as recovery of the illuminating wavefront. Additionally, various algorithms have been developed to account for systematic errors and improved convergence. With fast ptychographic microscopes and more advanced algorithms, both the complexity of the reconstruction task and the data volume increase significantly. PtychoShelves is a software package which combines high-level modularity for easy and fast changes to the data-processing pipeline, and high-performance computing on CPUs and GPUs.

97 MATHEMATICS AND COMPUTING↗
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↗
DOE OSTI2020

N-doped honeycomb-like porous carbon towards high-performance supercapacitor

Biomass-derived porous carbon with developed pore structure is critical to achieving high performance electrode materials. In this work, we report a grape-based honeycomb-like porous carbon (GHPC) prepared by KOH activation and carbonization, followed by N-doping (NGHPC). The obtained NGHPC exhibits a unique honeycomb-like structure with hierarchically interconnected micro/mesopores, and high specific surface area of 1268 m2/g. As a supercapacitor electrode, the NGPHC electrode exhibits a remarkable specific capacitance of 275 F/g at 0.5 A/g in a three-electrode cell. Moreover, the NGHPC//NGHPC symmetric supercapacitor displays a high energy density of 12.6 Wh/kg, and excellent cycling stability of approximately 95.2% capacitance retention after 5000 cycles at 5 A/g. The excellent electrochemical performance of NGHPC is ascribed to its high specific surface area, honeycomb-like structure and high-content of pyrodinic-N (36.29%). It is believed that grape-based carbon materials show great potential as advanced electrode materials for supercapacitors.

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

Quantum Electrodynamics Coupled-Cluster at Scale: High-Performance Implementation for Complex Systems

Coupled-cluster theory (CC) is a highly accurate and versatile method for simulating complex interactions within quantum systems. The extension of CC theory to model mixed electron-photon processes with quantum electrodynamics (QED) has improved our capability to predict cavity-modified chemistry, a field where photons are used as cost-effective and eco-friendly alternatives to catalyze/inhibit chemical reactions. However, calculations with CC methods, even without incorporating QED effects, are often prohibitively expensive. Simulations of larger systems require scalable infrastructures that exist for traditional CC methods but not for QED-CC methods. As such, we present a GPU-enabled, high-performance, open-source implementation of the quantum electrodynamics coupled-cluster method with single and double excitations (QED-CCSD) within the ExaChem quantum chemistry software package. ExaChem relies on the Tensor Algebra for Many-body Methods (TAMM) infrastructure: a parallel heterogeneous tensor library designed to achieve scalable performance on modern heterogeneous supercomputing platforms. Furthermore, we discuss theoretical foundations, algorithmic details, and numerical benchmarks to showcase the larger systems that ExaChem can simulate and how the integration of photonic degrees-of-freedom alters their ground-state properties.

Basis sets↗
DOE OSTI2020

Optimizing High Performance Markov Clustering for Pre-Exascale Architectures

HipMCL is a high-performance distributed memory implementation of the popular Markov Cluster Algorithm (MCL) and can cluster large-scale networks within hours using a few thousand CPU-equipped nodes. It relies on sparse matrix computations and heavily makes use of the sparse matrix-sparse matrix multiplication kernel (SpGEMM). The existing parallel algorithms in HipMCL are not scalable to Exascale architectures, both due to their communication costs dominating the runtime at large concurrencies and also due to their inability to take advantage of accelerators that are increasingly popular. In this work, we systematically remove scalability and performance bottlenecks of HipMCL. We enable GPUs by performing the expensive expansion phase of the MCL algorithm on GPU. Additionally, we propose a CPU-GPU joint distributed SpGEMM algorithm called pipelined Sparse SUMMA and integrate a probabilistic memory requirement estimator that is fast and accurate. Furthermore, we develop a new merging algorithm for the incremental processing of partial results produced by the GPUs, which improves the overlap efficiency and the peak memory usage. We also integrate a recent and faster algorithm for performing SpGEMM on CPUs. We validate our new algorithms and optimizations with extensive evaluations. With the enabling of the GPUs and integration of new algorithms, HipMCL is up to 12.4x faster, being able to cluster a network with 70 million proteins and 68 billion connections just under 15 minutes using 1024 nodes of ORNL's Summit supercomputer.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

High Performance Approximate Computing

This code repository contains the implementation of the "High-Performance Approximate Computing" (HPAC) toolkit. The toolkit allows you to approximate your own C/C++. The developer uses "pragma's" to annotate code regions as approximate. The compiler extensions lower these pragmas to either compiletime approximate techniques or runtime approximation techniques. At execution time, the implemented runtime system decides which annotated regions it should approximate. HPAC also provides a set of script utilities. The utilities perform a grid search within approximation parameters and performance. The user can analyze the raw data to identify optimal approximation techniques for the application.

Parasyris, Konstantinos↗