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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 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Model-Based Investigation of Multi-Fault Interactions and Performance Degradation in Residential Heat Pump Systems

Faults in heat pump systems can significantly degrade performance, reduce efficiency, and accelerate component wear, leading to higher operating costs and maintenance demands. While numerous studies have investigated the impact of individual faults, the interactions between multiple concurrent faults remain insufficiently understood, despite their common occurrence in real-world operation. This study conducts a comprehensive simulation analysis of multiple simultaneous faults in a vapor compression heat pump using a validated heat pump design model (HPDM) tool. Detailed component-level modeling methods are implemented to examine performance sensitivity under combinations of refrigerant flow and heat exchanger faults. The results reveal complex fault interactions that can mask or amplify system deviations, challenging conventional diagnostic approaches. Findings from this work provide meaningful insights for the development of more robust fault detection and diagnosis algorithms, supporting improved reliability and energy efficiency in next-generation heat pump technologies.

Hu, Yifeng [ORNL] (ORCID:0000000242875185)↗
DOE OSTI2021

Overall chilled water system energy consumption modeling and optimization

The emergence of increasingly affordable variable-speed drive technology has changed the approach used to control chilled water systems equipped with these drives. The purpose of this research was to develop an integrated chilled water modeling technique that can determine the optimal system setpoints and estimate the energy saving potential of chiller system. The chiller system equipped with Variable Frequency Drives (VFDs) on cooling tower fans and condenser water pumps. To accomplish the objective, physical component models of the centrifugal chiller, cooling tower and condenser water pump were established with the goal of incorporating the system’s condenser water flow rate and cooling tower fan speeds as optimization variables. Furthermore, a cooling load prediction algorithm was developed using a multiple non-linear regression model to approximate the building’s cooling load subject to a range of environmental conditions. The inputs and outputs of the individual component models were linked to estimate how adjusting the cooling tower fan and condenser water pump speed would influence the system’s comprehensive performance. Here, the overall system model was then optimized using a generalized reduced gradient optimization algorithm to determine the potential energy savings through speed control with VFDs and to ascertain a control logic strategy for the building automation system to operate the heating and cooling system. A case-study was performed on a single chiller system at a museum and the model was calibrated according to logged data collected over four months. Results showed that for the system analyzed, the energy saving of optimizing the cooling tower fan system was found to be 12–15%, while the energy saving potential of optimizing the condenser water pump with the cooling tower fan was negligible. Additionally, comparing different cooling tower fan control strategies showed that a wet-bulb approach-based cooling tower control strategy was shown to have the highest correlation to the optimized fan speed with an R 2 of 0.924.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
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 OSTI2024

System and method for performing laser powder bed fusion using controlled, supplemental in situ surface heating to control microstructure and residual stresses in formed part

The present disclosure relates to an additive manufacturing system for forming a part using a powder material. In one embodiment the system makes use of a primary heat generating subsystem to generate a fusing beam for heating and fusing at least one of select portions of a powder layer, or an entire area of a powder layer, deposited on a build plate. The system also incorporates a beam steering subsystem for steering the fusing beam over the powder layer. A supplemental heating subsystem is used to generate a wide area beam to heat a portion of the powder layer either prior to fusing, along with the fusing operation, or subsequent to fusing of the powder with the fusing beam. The wide area beam has an intensity which is insufficient to fuse the powder, and alters a microstructure of the powder layer as the powder layer is at least one of fused or as it cools, to thus relieve stress in the part.

Smith, William↗
DOE OSTI2025

ChemComp: Compiling and Computing with Chemical Reaction Networks

The exponential growth in computing demands driven by scientific computing, data analytics, and artificial intelligence is pushing conventional CMOS-based high-performance computing systems to their physical and energy efficiency limits. As we approach the era of post-exascale computing, disruptive approaches are necessary to overcome these barriers and achieve substantial gains in energy efficiency. Analog and hybrid digital-analog computing systems have emerged as promising alternatives, offering the potential for orders-of-magnitude improvements in efficiency. Among these, biochemical computing stands out as a novel paradigm capable of leveraging the natural efficiency of chemical reactions, which have shown promise in solving optimization problems by converging to steady states. By scaling up reaction networks or reaction vessel sizes, biochemical systems present an opportunity to meet the high-performance demands of modern computing tasks. Despite their promise, significant theoretical and practical challenges remain, particularly in formulating and mapping computational problems to chemical reaction networks (CRNs) and designing viable biochemical computing devices. This paper addresses these challenges by introducing new ideas to ChemComp, a compilation and emulation framework for chemical computation. This work describes the mechanisms through which solutions to ordinary differential equations (ODEs) that can be represented as CRN systems can be achieved. Furthermore, we explain the design principles of an ODE dialect implemented as a multi-level intermediate representation (MLIR) compiler extension that will be coupled with existing infrastructure. We demonstrate the potential of our framework through a case study emulating a simplified chemical reservoir computing device. This work establishes foundational tools and methodologies necessary to harness the computational power of chemistry, paving the way for the development of energy-efficient, high-performance computing systems tailored to contemporary and future computational needs.

Bohm Agostini, Nicolas↗
DOE OSTI2021

Design, Manufacturing and Performance Considerations in Reactor System, Components and Materials

Idaho National Laboratory (INL) is the national and global leader of the Department of Energy (DOE) ’s nuclear energy research, development, and demonstration programs. Developing critical design criteria of new advanced reactor systems, components and materials requires an understanding of fabrication and the irradiation environment during normal operating and accident conditions. Next generation researchers and designers, are, therefore challenged not only by demands for ever improved performance but must also work to shorten the development and commercialization lifecycle for new nuclear reactors and systems to remain competitive. This provides unique and exciting opportunities for all contributors to this field of study. This presentation will offer a strategic overview of the competitively funded R&D awards by the Advanced Methods for Manufacturing (AMM) program of the DOE’s office of Nuclear Energy (NE). This program conducts research and development (R&D) to accelerate innovations by reducing the cost and schedule of constructing new nuclear plants and to make fabrication of nuclear power plant components faster, cheaper, and more reliable. By evaluating state-of-the-art practices found in other large manufacturing industries, the nuclear community has identified six major areas of innovation to reach the objectives of this DOE-NE program. Additionally, typical research case studies performed at INL, will be presented, showing the vast variety of opportunities for which, the next generation of researchers can seek solutions.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

On the emerging potential of quantum annealing hardware for combinatorial optimization

Abstract Over the past decade, the usefulness of quantum annealing hardware for combinatorial optimization has been the subject of much debate. Thus far, experimental benchmarking studies have indicated that quantum annealing hardware does not provide an irrefutable performance gain over state-of-the-art optimization methods. However, as this hardware continues to evolve, each new iteration brings improved performance and warrants further benchmarking. To that end, this work conducts an optimization performance assessment of D-Wave Systems’ Advantage Performance Update computer, which can natively solve sparse unconstrained quadratic optimization problems with over 5,000 binary decision variables and 40,000 quadratic terms. We demonstrate that classes of contrived problems exist where this quantum annealer can provide run time benefits over a collection of established classical solution methods that represent the current state-of-the-art for benchmarking quantum annealing hardware. Although this work does not present strong evidence of an irrefutable performance benefit for this emerging optimization technology, it does exhibit encouraging progress, signaling the potential impacts on practical optimization tasks in the future.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2020

OpenStudio System-level KPI Reporting Measure v1.0

This is a OpenStudio measure that calculates and reports the system-level key performance indicators (KPIs) for evaluating building energy performance at the system level. The systems are defined by the service it provides in commercial buildings, which include (1) lighting, (2) Miscellaneous Electric Loads (MELs), (3) Heating, Ventilation and Air Conditioning (HVAC), and (4) Service Water Heating (SWH).

Li, Han↗
DOE OSTI2022

Time-resolved chemical studies via time-of-flight secondary ion mass spectrometry

A method of performing time-of-flight secondary ion mass spectrometry on a sample includes the step of directing a beam of primary ions to the sample, and stimulating the migration of ions within the sample while the beam of primary ions is directed at the sample. The stimulation of the ions is cycled between a stimulation state and a lower stimulation state. Secondary ions emitted from the sample by the beam of primary ions are collected in a time-of-flight mass spectrometer. Time-of-flight secondary ion mass spectrometry is then performed on the secondary ions. A system for performing time-of-flight secondary ion mass spectrometry on a sample is also disclosed.

Ievlev, Anton V.↗
DOE OSTI2021

RITE Gen5 KHPS Performance - Period A

Includes Kinetic Hydropower System (KHPS) Turbine performance data from the RITE Gen5 KHPS turbine at the 5 meter size. This data was collected over Period A which was a 39 day span ending on 11/12/2021. This data was collected under the European Marine Energy Centre (EMEC) power performance assessment. Along with performance data, the data includes setup data, project metadata, and characteristic data for RITE Gen5 KHPS (5m) turbine.

16 TIDAL AND WAVE POWER↗
DOE OSTI2024

Visual Analytics of Performance of Quantum Computing Systems and Circuit Optimization

Driven by potential exponential speedups in business, security, and scientific scenarios, interest in quantum computing is surging. This interest feeds the development of quantum computing hardware, but several challenges arise in optimizing application performance for hardware metrics (e.g., qubit coherence and gate fidelity). In this work, we describe a visual analytics approach for analyzing the performance properties of quantum devices and quantum circuit optimization. Our approach allows users to explore spatial and temporal patterns in quantum device performance data and it computes similarities and variances in key performance metrics. Detailed analysis of the error properties characterizing individual qubits is also supported. We also describe a method for visualizing the optimization of quantum circuits. The resulting visualization tool allows researchers to design more efficient quantum algorithms and applications by increasing the interpretability of quantum computations.

Chae, Junghoon↗
DOE OSTI2021

Predicting Thermal Performance of an Enhanced Geothermal System From Tracer Tests in a Data Assimilation Framework

Abstract Predicting the thermal performance of an enhanced geothermal system (EGS) requires a comprehensive characterization of the underlying fracture flow patterns from practically available data such as tracer data. However, due to the inherent complexities of subsurface fractures and the generally insufficient geological/geophysical data, interpreting tracer data for fracture flow characterization and thermal prediction remains a challenging task. The present study aims to tackle the challenge by leveraging a data assimilation method to maximize the utilization of information inherently contained in tracer data, and meanwhile maintain the flexibility to handle various uncertainties. A tracer data interpretation framework was proposed with the following three components integrated: (a) We use principal component analysis (PCA) to reduce the dimensionality of model parameter space. (b) We use ES‐MDA (ensemble smoother with multiple data assimilation) to invert for fracture aperture/flow fields and obtain posterior model ensembles for uncertainty quantification. Various data types are assimilated jointly to improve the predictive ability of the posterior ensemble. (c) The inverted fracture aperture fields are then incorporated into reservoir models to predict thermal performance. We developed a field‐scale EGS model to verify the ability of the framework to characterize highly heterogeneous fracture aperture/flow fields and predicting thermal performance. We also applied the framework to a mesoscale field experiment to demonstrate its potential application in real‐world geothermal reservoirs. The results indicate that the proposed framework can effectively retrieve fracture flow information from tracer data for thermal prediction and uncertainty quantification, and thus provide informative guidance for EGS optimization and risk management.

15 GEOTHERMAL ENERGY↗
DOE OSTI2021

Design of a Robust Memristive Spiking Neuromorphic System with Unsupervised Learning in Hardware

Spiking neural networks (SNN) offer a power efficient, biologically plausible learning paradigm by encoding information into spikes. The discovery of the memristor has accelerated the progress of spiking neuromorphic systems, as the intrinsic plasticity of the device makes it an ideal candidate to mimic a biological synapse. Despite providing a nanoscale form factor, non-volatility, and low-power operation, memristors suffer from device-level non-idealities, which impact system-level performance. To address these issues, this article presents a memristive crossbar-based neuromorphic system using unsupervised learning with twin-memristor synapses, fully digital pulse width modulated spike-timing-dependent plasticity, and homeostasis neurons. Additionally, the implemented single-layer SNN was applied to a pattern-recognition task of classifying handwritten-digits. The performance of the system was analyzed by varying design parameters such as number of training epochs, neurons, and capacitors. Furthermore, the impact of memristor device non-idealities, such as device-switching mismatch, aging, failure, and process variations, were investigated and the resilience of the proposed system was demonstrated.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Design and implementation of dynamic I/O control scheme for large scale distributed file systems

In this paper, we have analyzed the input/output (I/O) activities of Cori, which is a high-performance computing system at the National Energy Research Scientific Computing Center at Lawrence Berkeley National Laboratory. Our analysis results indicate that most users do not adjust storage configurations but rather use the default settings. In addition, owing to the interference from many applications running simultaneously, the performance varies based on the system status. To configure file systems autonomously in complex environments, we developed DCA-IO, a dynamic distributed file system configuration adjustment algorithm that utilizes the system log information to adjust storage configurations automatically. Our scheme aims to improve the application performance and avoid interference from other applications without user intervention. Moreover, DCA-IO uses the existing system logs and does not require code modifications, an additional library, or user intervention. To demonstrate the effectiveness of DCA-IO, we performed experiments using I/O kernels of real applications in both an isolated small-sized Lustre environment and Cori. Our experimental results shows that our scheme can improve the performance of HPC applications by up to 263% with the default Lustre configuration.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

The Tianlai Cylinder Pathfinder Array: System Functions and Basic Performance Analysis

The Tianlai Cylinder Pathfinder is a radio interferometer array designed to test techniques for 21 cm intensity mapping in the post-reionization Universe, with the ultimate aim of mapping the large scale structure of the Universe and measuring cosmological parameters such as the dark energy equation of state. Each of its three parallel cylinder reflectors are oriented in the north-south direction, and the array has a large field of view. As the Earth rotates, the northern sky is observed by drift scanning. The array is located in Hongliuxia, a radio quiet site in Xinjiang, and saw its first light in September 2016. In this first paper on the data analysis of the Tianlai cylinder array, we describe the system functions of the array, the commissioning observations during 2016- 2018, and present its basic performance characteristics. We show examples of the interferometric visibility data, then using the observational data, we derive the actual beam profile in the east-west direction, the bandpass response, and calibrate the complex gains for the array elements either with a strong astronomical point source, or with an artificial calibrator source. Based on the preliminary analysis of the data, we derive the system temperature and sensitivity of the array.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

GPU Acceleration of Large-Scale Full-Frequency GW Calculations

Many-body perturbation theory is a powerful method to simulate electronic excitations in molecules and materials starting from the output of density functional theory calculations. By implementing the theory efficiently so as to run at scale on the latest leadership high-performance computing systems it is possible to extend the scope of GW calculations. Here, we present a GPU acceleration study of the full-frequency GW method as implemented in the WEST code. Excellent performance is achieved through the use of (i) optimized GPU libraries, e.g., cuFFT and cuBLAS, (ii) a hierarchical parallelization strategy that minimizes CPU-CPU, CPU-GPU, and GPU-GPU data transfer operations, (iii) nonblocking MPI communications that overlap with GPU computations, and (iv) mixed precision in selected portions of the code. A series of performance benchmarks has been carried out on leadership high-performance computing systems, showing a substantial speedup of the GPU-accelerated version of WEST with respect to its CPU version. Good strong and weak scaling is demonstrated using up to 25 920 GPUs. Finally, we showcase the capability of the GPU version of WEST for large-scale, full-frequency GW calculations of realistic systems, e.g., a nanostructure, an interface, and a defect, comprising up to 10 368 valence electrons.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

State-of-the-art of data collection, analytics, and future needs of transmission utilities worldwide to account for the continuous growth of sensing data

Nowadays, transmission system operators require higher degree of observability in real-time to gain situational awareness and improve the decision-making process to guarantee a safe and reliable operation. Digitalization of energy systems allows utilities to monitor the system dynamic performance in real-time at fast time scales. The use of such technologies has unlocked new opportunities to introduce new data driven algorithms for improving the stability assessment and control of the system. Motivated by these challenges, a group of experts have worked together to highlight and establish a baseline set of these common concerns, which can be used as motivation to propose innovative analytics and data-driven solutions. In this document, the results of a survey on 10 transmission system operators around the world are presented and it aims to understand the current practices of the participating companies, in terms of data acquisition, handling, storage, modelling and analytics. The overall objective of this document is to capture the actual needs from the interviewed utilities, thereby laying the groundwork for setting valid assumptions for the development of advanced algorithms in this field.

24 POWER TRANSMISSION AND DISTRIBUTION↗