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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 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Oscillatory Spreading and Inertia in Power Grids

The increase in variable renewable generators (VRGs) in power systems has altered the dynamics from a historical experience. VRGs introduce new sources of power oscillations, and the stabilizing response provided by synchronous generators (SGs, e.g., natural gas, coal, etc.), which help avoid some power fluctuations, will lessen as VRGs replace SGs. These changes have led to the need for new methods and metrics to quickly assess the likely oscillatory behavior for a particular network without performing computationally expensive simulations. This work studies the impact of a critical dynamical parameter - the inertia value - on the rest of a power system's oscillatory response to representative VRG perturbations. We use a known localization metric in a novel way to quantify the number of nodes responding to a perturbation and the magnitude of those responses. This metric allows us to relate the spread and severity of a system's power oscillations with inertia. We find that as inertia increases, the system response to node perturbations transitions from localized (only a few close nodes respond) to delocalized (many nodes across the network respond). We introduce a heuristic computed from the network Laplacian to relate this oscillatory transition to the network structure. We show that our heuristic accurately describes the spread of oscillations for a realistic power-system test case. Using a heuristic to determine the likely oscillatory behavior of a system given a set of parameters has wide applicability in power systems, and it could decrease the computational workload of planning and operation.

dynamical systems↗
DOE OSTI2017

Making Technological Timelines: Anticipatory Repair and Testing in High Performance Scientific Computing

Think of some examples of repair in everyday life. Maybe you had a car accident and took your car to the body shop. Maybe the head came off your child’s doll and you had to glue it back on. Maybe the handle of your shovel cracked and you wrapped the cracked area with duct tape to hold it together. These are examples of what could be called reactive repair, where an unexpected accident initiates a sequence of action and decision-making that ends in repair. In these cases, most of the thinking and planning surrounding repair takes place after a breakdown has been identified. This type of repair is often taken to be distinct from deliberate design, as it occurs within the context of technology that is already in operation, often has an improvisational character, and may be performed by end users or technicians rather than credentialed experts. But does repair always have to be reactive? And if not, what does this tell us about the distinction between design and repair, and their respective roles in shaping technological change? The short answer is that repair, like design, can play a dynamic and forward-looking role in shaping technological trajectories – not only stabilizing existing systems, but anticipating change and generating new technological futures.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2000

Numerical Propulsion System Simulation (NPSS) 1999 Industry Review

The technologies necessary to enable detailed numerical simulations of complete propulsion systems are being developed at the NASA Glenn Research Center in cooperation with industry, academia, and other government agencies. Large scale, detailed simulations will be of great value to the nation because they eliminate some of the costly testing required to develop and certify advanced propulsion systems. In addition, time and cost savings will be achieved by enabling design details to be evaluated early in the development process before a commitment is made to a specific design. This concept is called the Numerical Propulsion System Simulation (NPSS). NPSS consists of three main elements: (1) engineering models that enable multidisciplinary analysis of large subsystems and systems at various levels of detail, (2) a simulation environment that maximizes designer productivity, and (3) a cost-effective, high-performance computing platform. A fundamental requirement of the concept is that the simulations must be capable of overnight execution on easily accessible computing platforms. This will greatly facilitate the use of large-scale simulations in a design environment. This paper describes the current status of the NPSS with specific emphasis on the progress made over the past year on air breathing propulsion applications. In addition, the paper contains a summary of the feedback received from industry partners in the development effort and the actions taken over the past year to respond to that feedback. The NPSS development was supported in FY99 by the High Performance Computing and Communications Program.

Lytle, John↗
NASA NTRS2003

Validation of an In-Water, Tower-Shading Correction Scheme

Large offshore structures used for the deployment of optical instruments can significantly perturb the intensity of the light field surrounding the optical measurement point, where different portions of the visible spectrum are subject to different shadowing effects. These effects degrade the quality of the acquired optical data and can reduce the accuracy of several derived quantities, such as those obtained by applying bio-optical algorithms directly to the shadow-perturbed data. As a result, optical remote sensing calibration and validation studies can be impaired if shadowing artifacts are not fully accounted for. In this work, the general in-water shadowing problem is examined for a particular case study. Backward Monte Carlo (MC) radiative transfer computations- performed in a vertically stratified, horizontally inhomogeneous, and realistic ocean-atmosphere system are shown to accurately simulate the shadow-induced relative percent errors affecting the radiance and irradiance data profiles acquired close to an oceanographic tower. Multiparameter optical data processing has provided adequate representation of experimental uncertainties allowing consistent comparison with simulations. The more detailed simulations at the subsurface depth appear to be essentially equivalent to those obtained assuming a simplified ocean-atmosphere system, except in highly stratified waters. MC computations performed in the simplified system can be assumed, therefore, to accurately simulate the optical measurements conducted under more complex sampling conditions (i.e., within waters presenting moderate stratification at most). A previously reported correction scheme, based on the simplified MC simulations, and developed for subsurface shadow-removal processing of in-water optical data taken close to the investigated oceanographic tower, is then validated adequately under most experimental conditions. It appears feasible to generalize the present tower-specific approach to solve other optical sensor shadowing problems pertaining to differently shaped deployment platforms, and also including surrounding structures and instrument casings.

Hooker, Stanford B.↗
NASA NTRS1999

Implementation of Multispectral Image Classification on a Remote Adaptive Computer

As the demand for higher performance computers for the processing of remote sensing science algorithms increases, the need to investigate new computing paradigms its justified. Field Programmable Gate Arrays enable the implementation of algorithms at the hardware gate level, leading to orders of m a,gnitude performance increase over microprocessor based systems. The automatic classification of spaceborne multispectral images is an example of a computation intensive application, that, can benefit from implementation on an FPGA - based custom computing machine (adaptive or reconfigurable computer). A probabilistic neural network is used here to classify pixels of of a multispectral LANDSAT-2 image. The implementation described utilizes Java client/server application programs to access the adaptive computer from a remote site. Results verify that a remote hardware version of the algorithm (implemented on an adaptive computer) is significantly faster than a local software version of the same algorithm implemented on a typical general - purpose computer).

Figueiredo, Marco A.↗
DOE OSTI2026

Mixed-precision numerics in scientific applications: survey and perspectives

The explosive demand for artificial intelligence (AI) workloads has led to a significant increase in silicon area dedicated to lower-precision computations on recent high-performance computing hardware designs. However, mixed-precision capabilities, which can achieve performance improvements of up to 8x compared to double-precision in extreme compute-intensive workloads, remain largely untapped in most scientific applications. A growing number of efforts have shown that mixed-precision algorithmic innovations can deliver superior performance without sacrificing accuracy. These developments should prompt computational scientists to seriously consider whether their scientific modeling and simulation applications could benefit from the acceleration offered by new hardware and mixed-precision algorithms. In this survey, we (1) review progress across diverse scientific domains—fluid dynamics, weather and climate, quantum chemistry, and computational genomics—that have begun adopting mixed-precision strategies; (2) examine state-of-the-art algorithmic techniques such as iterative refinement, splitting and emulation schemes, and adaptive precision solvers; (3) assess their implications for accuracy, performance, and resource utilization; and (4) survey the emerging software ecosystem that enables mixed-precision methods at scale. We conclude with perspectives and recommendations on cross-cutting opportunities, domain-specific challenges, and the role of co-design between application scientists, numerical analysts, and computer scientists. Collectively, this survey underscores that mixed-precision numerics can reshape computational science by aligning algorithms with the evolving landscape of hardware capabilities.

Graphics processing units↗
DOE OSTI2017

Thermochimica

Thermochimica is a software library that determines a unique combination of phases and their compositions at thermochemical equilibrium. Thermochimica can be used for stand-alone calculations or it can be directly coupled to other codes. This release of the software does not have a graphical user interface (GUI) and it can be executed from the command line or from an Application Programming Interface (API). Also, it is not intended for thermodynamic model development or for constructing phase diagrams. The main purpose of the software is to be directly coupled with a multi-physics code to provide material properties and boundary conditions for various physical phenomena. Significant research efforts have been dedicated to enhance computational performance through advanced algorithm development, such as improved estimation techniques and non-linear solvers. Various useful parameters can be provided as output from Thermochimica, such as: determination of which phases are stable at equilibrium, the mass of solution species and phases at equilibrium, mole fractions of solution phase constituents, thermochemical activities (which are related to partial pressures for gaseous species), chemical potentials of solution species and phases, and integral Gibbs energy (referenced relative to standard state). The overall goal is to provide an open source computational tool to enhance the predictive capability of multi-physics codes without significantly impeding computational performance.

Simunovic, Srdjan↗
DOE OSTI2018

DeepHyper: Asynchronous Hyperparameter Search for Deep Neural Networks

Hyperparameters employed by deep learning (DL) methods play a substantial role in the performance and reliability of these methods in practice. Unfortunately, finding performance-optimizing hyperparameter settings is a notoriously difficult task. Hyperparameter search methods typically have limited production-strength implementations or do not target scalability within a highly parallel machine, portability across different machines, experimental comparison between different methods, and tighter integration with workflow systems. In this paper, we present DeepHyper, a Python package that provides a common interface for the implementation and study of scalable hyperparameter search methods. It adopts the Balsam workflow system to hide the complexities of running large numbers of hyperparameter configurations in parallel on high-performance computing (HPC) systems. We implement and study asynchronous model-based search methods that consist of sampling a small number of input hyperparameter configurations and progressively fitting surrogate models over the input-output space until exhausting a user-defined budget of evaluations. We evaluate the efficacy of these methods relative to approaches such as random search, genetic algorithms, Bayesian optimization, and hyperband on DL benchmarks on CPU- and GPU-based HPC systems.

Balaprakash, Prasanna↗
DOE OSTI2015

A Hybrid Multiscale Framework for Subsurface Flow and Transport Simulations

Extensive research efforts have been invested in reducing model errors to improve the predictive ability of biogeochemical earth and environmental system simulators, with applications ranging from contaminant transport and remediation to impacts of biogeochemical elemental cycling (e.g., carbon and nitrogen) on local ecosystems and regional to global climate. While the bulk of this research has focused on improving model parameterizations in the face of observational limitations, the more challenging type of model error/uncertainty to identify and quantify is model structural error which arises from incorrect mathematical representations of (or failure to consider) important physical, chemical, or biological processes, properties, or system states in model formulations. While improved process understanding can be achieved through scientific study, such understanding is usually developed at small scales. Process-based numerical models are typically designed for a particular characteristic length and time scale. For application-relevant scales, it is generally necessary to introduce approximations and empirical parameterizations to describe complex systems or processes. This single-scale approach has been the best available to date because of limited understanding of process coupling combined with practical limitations on system characterization and computation. While computational power is increasing significantly and our understanding of biological and environmental processes at fundamental scales is accelerating, using this information to advance our knowledge of the larger system behavior requires the development of multiscale simulators. Accordingly there has been much recent interest in novel multiscale methods in which microscale and macroscale models are explicitly coupled in a single hybrid multiscale simulation. A limited number of hybrid multiscale simulations have been developed for biogeochemical earth systems, but they mostly utilize application-specific and sometimes ad-hoc approaches for model coupling. We are developing a generalized approach to hierarchical model coupling designed for high-performance computational systems, based on the Swift computing workflow framework. In this presentation we will describe the generalized approach and provide two use cases: 1) simulation of a mixing-controlled biogeochemical reaction coupling pore- and continuum-scale models, and 2) simulation of biogeochemical impacts of groundwater – river water interactions coupling fine- and coarse-grid model representations. This generalized framework can be customized for use with any pair of linked models (microscale and macroscale) with minimal intrusiveness to the at-scale simulators. It combines a set of python scripts with the Swift workflow environment to execute a complex multiscale simulation utilizing an approach similar to the well-known Heterogeneous Multiscale Method. User customization is facilitated through user-provided input and output file templates and processing function scripts, and execution within a high-performance computing environment is handled by Swift, such that minimal to no user modification of at-scale codes is required.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1999

Unstructured Grid Euler Method Assessment for Longitudinal and Lateral/Directional Aerodynamic Performance Analysis of the HSR Technology Concept Airplane at Supersonic Cruise Speed

Unstructured grid Euler computations, performed at supersonic cruise speed, are presented for a High Speed Civil Transport (HSCT) configuration, designated as the Technology Concept Airplane (TCA) within the High Speed Research (HSR) Program. The numerical results are obtained for the complete TCA cruise configuration which includes the wing, fuselage, empennage, diverters, and flow through nacelles at M (sub infinity) = 2.4 for a range of angles-of-attack and sideslip. Although all the present computations are performed for the complete TCA configuration, appropriate assumptions derived from the fundamental supersonic aerodynamic principles have been made to extract aerodynamic predictions to complement the experimental data obtained from a 1.675%-scaled truncated (aft fuselage/empennage components removed) TCA model. The validity of the computational results, derived from the latter assumptions, are thoroughly addressed and discussed in detail. The computed surface and off-surface flow characteristics are analyzed and the pressure coefficient contours on the wing lower surface are shown to correlate reasonably well with the available pressure sensitive paint results, particularly, for the complex flow structures around the nacelles. The predicted longitudinal and lateral/directional performance characteristics for the truncated TCA configuration are shown to correlate very well with the corresponding wind-tunnel data across the examined range of angles-of-attack and sideslip. The complementary computational results for the longitudinal and lateral/directional performance characteristics for the complete TCA configuration are also presented along with the aerodynamic effects due to empennage components. Results are also presented to assess the computational method performance, solution sensitivity to grid refinement, and solution convergence characteristics.

Ghaffari, Farhad↗
DOE OSTI2016

A fully non-linear multi-species Fokker–Planck–Landau collision operator for simulation of fusion plasma

Fusion edge plasmas can be far from thermal equilibrium and require the use of a non-linear collision operator for accurate numerical simulations. In this article, the non-linear single-species Fokker–Planck–Landau collision operator developed by Yoon and Chang (2014) [9] is generalized to include multiple particle species. The finite volume discretization used in this work naturally yields exact conservation of mass, momentum, and energy. The implementation of this new non-linear Fokker–Planck–Landau operator in the gyrokinetic particle-in-cell codes XGC1 and XGCa is described and results of a verification study are discussed. Finally, the numerical techniques that make our non-linear collision operator viable on high-performance computing systems are described, including specialized load balancing algorithms and nested OpenMP parallelization. The collision operator's good weak and strong scaling behavior are shown.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Learning from Five-year Resource-Utilization Data of Titan System

Titan was the flagship supercomputer at the Oak Ridge Leadership Computing Facility (OLCF). It was deployed in late 2012, became the fastest supercomputer in the world and was retired on August 2, 2019. With Titan's mission complete, this paper provides a first-order examination of the usage of its critical resources (CPU, Memory, GPU, and I/O) over a five-year production period (2015-2019). In particular, we show quantitatively that the majority of CPU time was spent on the large-scale jobs, which is consistent with the policy of driving ground-breaking science through leadership computing. We also corroborate the general observation of the low CPU-memory usage with 95% jobs utilizing only 15% or less available memory. Additionally, we correlate the increase of total job submissions and the decrease of GPU-enabled jobs during 2016 with the GPU reliability issue which impacted the large-scale runs. We further show the surprising read/write ratio over the five-year period, which contradicts the general mindset of the large-scale simulation machines being “write-heavy”. This understanding will have potential impact on how we design our next-generation large-scale storage systems. We believe that our analyses and findings are going to be of great interest to the high-performance computing (HPC) community at large.

Wang, Feiyi↗
DOE OSTI2023

BMX: Biological modelling and interface exchange

Abstract High performance computing has a great potential to provide a range of significant benefits for investigating biological systems. These systems often present large modelling problems with many coupled subsystems, such as when studying colonies of bacteria cells. The aim to understand cell colonies has generated substantial interest as they can have strong economic and societal impacts through their roles in in industrial bioreactors and complex community structures, called biofilms, found in clinical settings. Investigating these communities through realistic models can rapidly exceed the capabilities of current serial software. Here, we introduce BMX, a software system developed for the high performance modelling of large cell communities by utilising GPU acceleration. BMX builds upon the AMRex adaptive mesh refinement package to efficiently model cell colony formation under realistic laboratory conditions. Using simple test scenarios with varying nutrient availability, we show that BMX is capable of correctly reproducing observed behavior of bacterial colonies on realistic time scales demonstrating a potential application of high performance computing to colony modelling. The open source software is available from the zenodo repository https://doi.org/10.5281/zenodo.8084270 under the BSD-2-Clause licence.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

High-Accuracy Simulations to Model Pyrometallurgical Processes in a Secondary Lead Reverberatory Furnace

The US manufacturing industry produces about 1.3 million tons of refined lead each year using secondary sources consisting mainly of lead batteries. ORNL is partnering with Gopher resource, the second largest lead recycling company in the United States, and GTI, to develop a high-fidelity CFD model of a directly fired, reverberatory-style, secondary lead furnace. These High Performance Computing (HPC) simulations are aimed to use first principles modeling for combustion and melting processes of the secondary lead feed while accounting for complex interphase interactions between the gas, solid charge (lead) material, slag, and metal phases. Through validation against operating plant data, this effort will enable significant improvements in design, operational parameters, and energy efficiency, thus improving productivity and refractory lifetime of secondary lead melting furnaces. Estimated savings/reduction of, at least, 1 trillion BTU, 1 million ton/year of greenhouse gas emissions, and $\$50$ million/year to the US lead industry can be expected. ORNL resources and expertise in high-performance computing and multicomponent, multiphase flows were utilized to realize this goal while advancing the understanding of the smelting and melting processes occurring within the furnace.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2016

Visualization of the Eastern Renewable Generation Integration Study: Preprint

The Eastern Renewable Generation Integration Study (ERGIS), explores the operational impacts of the wide spread adoption of wind and solar photovoltaics (PV) resources in the U.S. Eastern Interconnection and Quebec Interconnection (collectively, EI). In order to understand some of the economic and reliability challenges of managing hundreds of gigawatts of wind and PV generation, we developed state of the art tools, data, and models for simulating power system operations using hourly unit commitment and 5-minute economic dispatch over an entire year. Using NREL's high-performance computing capabilities and new methodologies to model operations, we found that the EI, as simulated with evolutionary change in 2026, could balance the variability and uncertainty of wind and PV at a 5-minute level under a variety of conditions. A large-scale display and a combination of multiple coordinated views and small multiples were used to visually analyze the four large highly multivariate scenarios with high spatial and temporal resolutions. state of the art tools, data, and models for simulating power system operations using hourly unit commitment and 5-minute economic dispatch over an entire year. Using NRELs high-performance computing capabilities and new methodologies to model operations, we found that the EI, as simulated with evolutionary change in 2026, could balance the variability and uncertainty of wind and PV at a 5-minute level under a variety of conditions. A large-scale display and a combination of multiple coordinated views and small multiples were used to visually analyze the four large highly multivariate scenarios with high spatial and temporal resolutions.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

Multi-Model Future Typical Meteorological (fTMY) Weather Files for nearly every US County

Exploring climate-induced impacts on building energy consumption can provide valuable insights for sustainable energy planning and environmental management in the face of a changing climate. By utilizing future weather data statistically downscaled from the Intergovernmental Panel on Climate Change (IPCC) General Circulation Models (GCMs) from 2020-2100, this paper presents a broadening industry-consensus approach for generating future Typical Meteorological Year (fTMY) weather files through a combination of statistical downscaling and high-performance computing that generalizes across decades, multiple locations for a region, and varying climate models. Furthermore, these fTMY files have been generated for 3,128 US counties for capturing potential weather on a 20-year basis.

Building↗
DOE OSTI2025

VA EDH Advanced Software Pipeline Framework Report: Enhancing Automation and Scalability

The VA Environmental Determinants of Health (EDH) Advanced Software Pipeline Framework is designed to enhance the efficiency, scalability, and security of geospatial data processing workflows. This framework integrates modern data orchestration and containerization technologies, including Prefect for workflow automation, Docker for containerization, and PostgreSQL/PostGIS for geospatial data storage and analysis. It ensures standardized, reproducible, and automated data processing, supporting VA objectives related to substance use risk assessment and recovery research. The pipeline addresses key scalability and performance challenges through horizontal and vertical scaling, high-performance computing (HPC) integration, parallel processing, task caching, and dynamic resource allocation. These optimizations improve throughput and reduce latency, allowing the system to efficiently manage large and complex datasets. Additionally, security and compliance measures—such as data encryption (SSL), Role-Based Access Control (RBAC), and adherence to GDPR and HIPAA standards—safeguard sensitive information throughout data transmission and storage. A key implementation of this framework includes the automation of shelter list geolocation workflows, ensuring that up-to-date data is readily available for VA decision-making. Lessons learned from this project include the transition from in-memory processing to incremental storage writes, improving resource management and reliability. Future enhancements aim to expand automation, integrate AI-driven anomaly detection, and incorporate high-performance computing resources. This framework provides a scalable, secure, and adaptable solution for managing geospatial datasets, reinforcing the VA’s ability to support clinical and strategic initiatives through data-driven decision-making.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2002

Computing Aerodynamic Performance of a 2D Iced Airfoil: Blocking Topology and Grid Generation

The ice accrued on airfoils can have enormously complicated shapes with multiple protruded horns and feathers. In this paper, several blocking topologies are proposed and evaluated on their ability to produce high-quality structured multi-block grid systems. A transition layer grid is introduced to ensure that jaggedness on the ice-surface geometry do not to propagate into the domain. This is important for grid-generation methods based on hyperbolic PDEs (Partial Differential Equations) and algebraic transfinite interpolation. A 'thick' wrap-around grid is introduced to ensure that grid lines clustered next to solid walls do not propagate as streaks of tightly packed grid lines into the interior of the domain along block boundaries. For ice shapes that are not too complicated, a method is presented for generating high-quality single-block grids. To demonstrate the usefulness of the methods developed, grids and CFD solutions were generated for two iced airfoils: the NLF0414 airfoil with and without the 623-ice shape and the B575/767 airfoil with and without the 145m-ice shape. To validate the computations, the computed lift coefficients as a function of angle of attack were compared with available experimental data. The ice shapes and the blocking topologies were prepared by NASA Glenn's SmaggIce software. The grid systems were generated by using a four-boundary method based on Hermite interpolation with controls on clustering, orthogonality next to walls, and C continuity across block boundaries. The flow was modeled by the ensemble-averaged compressible Navier-Stokes equations, closed by the shear-stress transport turbulence model in which the integration is to the wall. All solutions were generated by using the NPARC WIND code.

Chi, X.↗