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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Exploring code portability solutions for HEP with a particle tracking test code

Traditionally, high energy physics (HEP) experiments have relied on x86 CPUs for the majority of their significant computing needs. As the field looks ahead to the next generation of experiments such as DUNE and the High-Luminosity LHC, the computing demands are expected to increase dramatically. To cope with this increase, it will be necessary to take advantage of all available computing resources, including GPUs from different vendors. A broad landscape of code portability tools—including compiler pragma-based approaches, abstraction libraries, and other tools—allow the same source code to run efficiently on multiple architectures. In this paper, we use a test code taken from a HEP tracking algorithm to compare the performance and experience of implementing different portability solutions. While in several cases portable implementations perform close to the reference code version, we find that the performance varies significantly depending on the details of the implementation. Achieving optimal performance is not easy, even for relatively simple applications such as the test codes considered in this work. Several factors can affect the performance, such as the choice of the memory layout, the memory pinning strategy, and the compiler used. The compilers and tools are being actively developed, so future developments may be critical for their deployment in HEP experiments.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

ATTNChecker: Highly-Optimized Fault Tolerant Attention for Large Language Model Training

Large Language Models (LLMs) have demonstrated remarkable performance in various natural language processing tasks. However, the training of these models is computationally intensive and susceptible to faults, particularly in the attention mechanism, which is a critical component of transformer-based LLMs. In this paper, we investigate the impact of faults on LLM training, focusing on INF, NaN, and near-INF values in the computation results with systematic fault injection experiments. We observe the propagation patterns of these errors, which can trigger non-trainable states in the model and disrupt training, forcing the procedure to load from checkpoints. To mitigate the impact of these faults, we propose ATTNChecker, the first Algorithm-Based Fault Tolerance (ABFT) technique tailored for the attention mechanism in LLMs. ATTNChecker is designed based on fault propagation patterns of LLM and incorporates performance optimization to adapt to both system reliability and model vulnerability while providing lightweight protection for fast LLM training. Evaluations on four LLMs show that ATTNChecker on average incurs on average 7% overhead on training while detecting and correcting all extreme errors. Compared with the state-of-the-art checkpoint/restore approach, ATTNChecker reduces recovery overhead by up to 49×.

Liang, Yuhang [University of Alabama - Birmingham]↗
DOE OSTI2022

Development and Commercialization of an IDAES-Based Power Plant Performance Monitoring and Optimization System

DOE and NETL have created an advanced, open-source computational platform through the Institute for the Design of Advanced Energy Systems (IDAES). The IDAES platform is a very extensive modeling environment that can be used for a broad range of power plant and process applications. MapEx Software is developing and commercializing a software application that makes it easier to set-up and run IDAES-based analyses. The MapEx-developed software application will replace the need for custom Python language coding with a user-friendly graphical user interface where the user can construct a flowsheet diagram of the IDAES model by inserting icons representing the plant equipment onto the screen. This application will make the implementation of modeling and optimization of existing fossil-fired power plants more straight-forward and less time-consuming. The effort focuses on performance monitoring and optimization of plant operations for the existing coal-fired power plant fleet but is built on a structure that allows expansion into the broad range of applications where IDAES methods may be applied.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2022

Machine Learning-Assisted High-Temperature Reservoir Thermal Energy Storage Optimization: Numerical Modeling and Machine Learning Input and Output Files

This data set includes the numerical modeling input files and output files used to synthesize data, and the reduced-order machine learning models trained from the synthesized data for reservoir thermal energy storage site identification. In this study, a machine-learning-assisted computational framework is presented to identify High-Temperature Reservoir Thermal Energy Storage (HT-RTES) site with optimal performance metrics by combining physics-based simulation with stochastic hydrogeologic formation and thermal energy storage operation parameters, artificial neural network regression of the simulation data, and genetic algorithm-enabled multi-objective optimization. A doublet well configuration with a layered (aquitard-aquifer-aquitard) generic reservoir is simulated for cases of continuous operation and seasonal-cycle operation scenarios. Neural network-based surrogate models are developed for the two scenarios and applied to generate the Pareto fronts of the HT-RTES performance for four potential HT-RTES sites. The developed Pareto optimal solutions indicate the performance of HT-RTES is operation-scenario (i.e., fluid cycle) and reservoir-site dependent, and the performance metrics have competing effects for a given site and a given fluid cycle. The developed neural network models can be applied to identify suitable sites for HT-RTES, and the proposed framework sheds light on the design of resilient HT-RTES systems. All the simulations and the neural network model were done by Idaho National Laboratory. A detailed description of the work was reported in publication linked below.

15 GEOTHERMAL ENERGY↗
DOE OSTI2021

Big Data Analysis of Massive PMU Datasets: A Data Platform Perspective

The discovery of `event signatures' and useful insights from very large historical Phasor Measurement Unit (PMU) datasets is predicated on offline Big Data analysis approaches that rely on the generation of predictive features on a massive scale. This paper presents lessons learned from a data platform perspective towards reducing barriers to adoption of Big Data analytics against a real dataset of almost half a trillion data points drawn from over 400 PMUs distributed across the North American power grid. We demonstrate software abstractions and targeted performance optimizations that can lead to significant productivity gains for power systems researchers seeking to perform offline exploratory temporal analysis and modeling tasks, with a focus on feature generation. We describe how our optimized approach goes beyond a naive application of mainstream Big Data technologies, enabling feature generation tasks, that previously took days or even weeks, to now be completed in just a few hours.

Kumar, Vijay S.↗
DOE OSTI2019

Evaluating Optimization Strategies for Engine Simulations Using Machine Learning Emulators

This work evaluates different optimization algorithms for computational fluid dynamics (CFD) simulations of engine combustion. Due to the computational expense of CFD simulations, emulators built with machine learning algorithms were used as surrogates for the optimizers. Two types of emulators were used: a Gaussian process (GP) and a weighted variety of machine learning methods called SuperLearner (SL). The emulators were trained using a dataset of 2048 CFD simulations that were run concurrently on a supercomputer. The design of experiments (DOE) for the CFD runs was obtained by perturbing nine input parameters using a Monte-Carlo method. The CFD simulations were of a heavy duty engine running with a low octane gasoline-like fuel at a partially premixed compression ignition mode. Ten optimization algorithms were tested, including types typically used in research applications. Each optimizer was allowed 800 function evaluations and was randomly tested 100 times. The optimizers were evaluated for the median, minimum, and maximum merits obtained in the 100 attempts. Some optimizers required more sequential evaluations, thereby resulting in longer wall clock times to reach an optimum. The best performing optimization methods were particle swarm optimization (PSO), differential evolution (DE), GENOUD (an evolutionary algorithm), and micro-genetic algorithm (GA). These methods found a high median optimum as well as a reasonable minimum optimum of the 100 trials. Moreover, all of these methods were able to operate with less than 100 successive iterations, which reduced the wall clock time required in practice. Two methods were found to be effective but required a much larger number of successive iterations: the DIRECT and MALSCHAINS algorithms. A random search method that completed in a single iteration performed poorly in finding optimum designs but was included to illustrate the limitation of highly concurrent search methods. The last three methods, Nelder–Mead, bound optimization by quadratic approximation (BOBYQA), and constrained optimization by linear approximation (COBYLA), did not perform as well.

Probst, Daniel M.↗
DOE OSTI2022

Thermodynamically Driven Synthetic Optimization for Cation-Disordered Rock Salt Cathodes

Relating the synthesis conditions of materials to their functional performance has long been an experience-based trial-and-error process. However, this methodology is not always efficient in identifying an appropriate protocol and can lead to overlooked opportunities for the performance optimization of materials through simple modifications of the synthesis process. In this work, we systematically track the structural evolution in the synthesis of a representative disordered rocksalt (a promising next-generation Li-ion cathode material) at the scale of both the long-range crystal structure and the short-range atomic structure using various in situ and ex situ techniques, including transmission electron microscopy, X-ray diffraction, and pair distribution function analysis. Further, an optimization strategy is proposed for the synthesis protocol, leading to a remarkably enhanced capacity (specific energy) of 313 mAh g –1 (987 Wh kg –1 ) at a low rate (20 mA g –1 ), with a capacity of more than 140 mAh g –1 retained even at a very high cycling rate of 2,000 mA g –1 . This strategy is further rationalized using ab initio calculations, and important opportunities for synthetic optimization demonstrated in this study are highlighted.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Improving wafer-scale Josephson junction resistance variation in superconducting quantum coherent circuits

Quantum bits, or qubits, are an example of coherent circuits envisioned for next-generation computers and detectors. A robust superconducting qubit with a coherent lifetime of O (100 µs) is the transmon: a Josephson junction functioning as a non-linear inductor shunted with a capacitor to form an anharmonic oscillator. In a complex device with many such transmons, precise control over each qubit frequency is often required, and thus variations of the junction area and tunnel barrier thickness must be sufficiently minimized to achieve optimal performance while avoiding spectral overlap between neighboring circuits. Simply transplanting our recipe optimized for single, stand-alone devices to wafer-scale (producing 64, 1x1 cm dies from a 150 mm wafer) initially resulted in global drifts in room-temperature tunneling resistance of ± 30%. Inferring a critical current variation from this resistance distribution, we present an optimized process developed from a systematic 38 wafer study that results in < 3.5% relative standard deviation (RSD) in critical current ( ) for 3000 Josephson junctions (both single-junctions and asymmetric SQUIDs) across an area of 49 cm 2 . Looking within a 1x1 cm moving window across the substrate gives an estimate of the variation characteristic of a given qubit chip. Our best process, utilizing ultrasonically assisted development, uniform ashing, and dynamic oxidation has shown = 1.8% within 1x1 cm, on average, with a few 1x1 cm areas having < 1.0% (equivalent to < 0.5%). Such stability would drastically improve the yield of multi-junction chips with strict critical current requirements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1982

Fuel optimal maneuvers for spacecraft with fixed thrusters

Several mathematical models, including a minimum integral square criterion problem, were used for the qualitative investigation of fuel optimal maneuvers for spacecraft with fixed thrusters. The solutions consist of intervals of "full thrust" and "coast" indicating that thrusters do not need to be designed as "throttleable" for fuel optimal performance. For the primary model considered, singular solutions occur only if the optimal solution is "pure translation". "Time optimal" singular solutions can be found which consist of intervals of "coast" and "full thrust". The shape of the optimal fuel consumption curve as a function of flight time was found to depend on whether or not the initial state is in the region admitting singular solutions. Comparisons of fuel optimal maneuvers in deep space with those relative to a point in circular orbit indicate that qualitative differences in the solutions can occur. Computation of fuel consumption for certain "pure translation" cases indicates that considerable savings in fuel can result from the fuel optimal maneuvers.

Carter, T. C.↗
NASA NTRS1988

A very wide frequency band pulsed/IF radar system

A pulsed/IF radar for compact range radar cross section measurements has been developed which converts RF returns to a fixed IF, so that amplification and grating may be performed at one frequency. This permits the use of components which have optimal performance at this frequency which results in a corresponding improvement in performance. Sensitivity and dynamic range are calculated for this system and compared with our old radar, and the effect of pulse width on clutter level is also studied. Sensitivity and accuracy tests are included to verify the performance of the radar.

Jones, D. N.↗
NASA NTRS1993

Kalman-Filter Estimation Of Unmeasured Output Variables

Kalman-filter "observer" algorithm used in estimating unmeasured output variables of turbofan engine. Unmeasured output variables needed along with measured output variables as feedback data to characterize state of aircraft-and-engine system for control purposes. Subsystem or processor implementing Kalman-filter algorithm incorporated into adaptive digital control system, called "performance-seeking" control system, developed to compute engine-control settings to optimize performance of aircraft under given pseudo-steady-state cruise conditions. Basic concept of algorithm not restricted to aircraft-engine application and can be extended to internal-combustion engines in land vehicles.

Gilyard, Glenn B.↗
NASA NTRS1991

A modified reconfigurable data path processor

High throughput is an overriding factor dictating system performance. A configurable data processor is presented which can be modified to optimize performance for a wide class of problems. The new processor is specifically designed for arbitrary data path operations and can be dynamically reconfigured.

Ganesh, G.↗
NASA NTRS2005

Software for Engineering Simulations of a Spacecraft

Spacecraft Engineering Simulation II (SES II) is a C-language computer program for simulating diverse aspects of operation of a spacecraft characterized by either three or six degrees of freedom. A functional model in SES can include a trajectory flight plan; a submodel of a flight computer running navigational and flight-control software; and submodels of the environment, the dynamics of the spacecraft, and sensor inputs and outputs. SES II features a modular, object-oriented programming style. SES II supports event-based simulations, which, in turn, create an easily adaptable simulation environment in which many different types of trajectories can be simulated by use of the same software. The simulation output consists largely of flight data. SES II can be used to perform optimization and Monte Carlo dispersion simulations. It can also be used to perform simulations for multiple spacecraft. In addition to its generic simulation capabilities, SES offers special capabilities for space-shuttle simulations: for this purpose, it incorporates submodels of the space-shuttle dynamics and a C-language version of the guidance, navigation, and control components of the space-shuttle flight software.

Shireman, Kirk↗
NASA NTRS2017

Numerical and Analytical Assessment of a Coupled Rotating Detonation Engine and Turbine Experiment

An analysis is presented of an experimental rig comprising a rotating detonation engine (RDE) with bypass ejector flow coupled to a downstream turbine. The analysis used a validated computational fluid dynamics RDE simulation combined with straightforward algebraic mixing equations for the bypass flow. The objectives of the analysis were to supplement and interpret the necessarily sparse measurements from the rig, and to assess the performance of the RDE itself, which was not instrumented in this installation. The analysis is seen to agree reasonably well with available data. It shows that the RDE is operating in an unusual fashion, with subsonic flow throughout the exhaust plane. The detonation event itself is producing a total pressure rise relative to the pre-detonative pressure; however, the length of the device and the substantial flow restriction at the inlet yield an overall pressure loss. This is not surprising since the objective of the rig test was primarily aimed at investigating RDE/turbine interactions, and not on performance optimization. Furthermore, the RDE was designed for fundamental detonation studies and not performance. Nevertheless, the analysis indicates that with some small alterations to the design, an RDE with an overall pressure rise is possible.

detonation↗
NASA NTRS2017

Numerical and Analytical Assessment of a Coupled Rotating Detonation Engine and Turbine Experiment

An analysis is presented of an experimental rig comprising a rotating detonation engine (RDE) with bypass ejector flow coupled to a downstream turbine. The analysis used a validated computational fluid dynamics RDE simulation combined with straightforward algebraic mixing equations for the bypass flow. The objectives of the analysis were to supplement and interpret the necessarily sparse measurements from the rig, and to assess the performance of the RDE itself, which was not instrumented in this installation. The analysis is seen to agree reasonably well with available data. It shows that the RDE is operating in an unusual fashion, with subsonic flow throughout the exhaust plane. The detonation event itself is producing a total pressure rise relative to the pre-detonative pressure; however, the length of the device and the substantial flow restriction at the inlet yield an overall pressure loss. This is not surprising since the objective of the rig test was primarily aimed at investigating RDE turbine interactions, and not on performance optimization. Furthermore, the RDE was designed for fundamental detonation studies and not performance. Nevertheless, the analysis indicates that with some small alterations to the design, an RDE with an overall pressure rise is possible.

propulsion↗
NASA NTRS2017

Numerical and Analytical Assessment of a Coupled Rotating Detonation Engine and Turbine Experiment

An analysis is presented of an experimental rig comprising a rotating detonation engine (RDE) with bypass flow coupled to a downstream turbine. The analysis used a validated computational fluid dynamics RDE simulation combined with straightforward algebraic mixing equations for the bypass flow. The objectives of the analysis were to supplement and interpret the necessarily sparse measurements from the rig, and to assess the performance of the RDE itself (which was not instrumented in this installation). The analysis is seen to agree reasonably well with available data. It shows that the RDE is operating in an unusual fashion, with subsonic flow throughout the exhaust plane. The detonation event itself is producing a total pressure rise relative to the pre-detonative pressure; however, the length of the device and the substantial flow restriction at the inlet yield an overall pressure loss. This is not surprising since the objective of the rig test was primarily aimed at investigating RDEturbine interactions, and not on performance optimization. Furthermore, the RDE was designed for fundamental detonation studies and not performance. Nevertheless, the analysis indicates that with some small alterations to the design, an RDE with an overall pressure rise is possible.

detonation↗
DOE OSTI2019

Ex situ metrology and data analysis for optimization of beamline performance of aspherical pre-shaped x-ray mirrors at the advanced light source

Super high quality aspherical x-ray mirrors with a residual slope error of ~100 nrad (root-mean-square) and a height error of ~1-2 nm (peak-to-valley), and even lower, are now available from a number of the most advanced vendors utilizing deterministic polishing techniques. The mirror specification for the fabrication is based on the simulations of the desired performance of the mirror in the beamline optical system and is normally given with the acceptable level of deviation of the mirror figure and finish from the desired ideal shape. For example, in the case of aspherical x-ray mirrors designed for the Advanced Light Source (ALS) QERLIN beamline, the ideal shape is defined with the beamline application (conjugate) parameters and their tolerances. Here, we first introduce an original procedure and dedicated software developed at the ALS X-Ray Optics Laboratory (XROL) for optimization of beamline performance of pre-shaped hyperbolic and elliptical mirrors. The optimization is based on results of ex situ surface slope metrology and consists in minimization of the mirror shape error by determining the conjugate parameters of the best-fit ideal shape within the specified tolerances. We describe novel optical metrology instrumentation, measuring techniques, and analytical methods used at the XROL for acquisition of surface slope data and optimization of the optic’s beamline performance. The high efficacy of the developed experimental methods and data analysis procedures is reflected in results of measurements with and performance optimization of hyperbolic and elliptical cylinder mirrors designed and fabricated for the ALS QERLIN beamline.

47 OTHER INSTRUMENTATION↗