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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 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
NASA NTRS1999

Development of a Linearized Unsteady Euler Analysis with Application to Wake/Blade-Row Interactions

A three-dimensional, linearized, Euler analysis is being developed to provide a comprehensive and efficient unsteady aerodynamic analysis for predicting the aeroacoustic and aeroelastic responses of axial-flow turbomachinery blading. The mathematical models needed to describe nonlinear and linearized, inviscid, unsteady flows through a blade row operating within a cylindrical annular duct are presented in this report. A numerical model for linearized inviscid unsteady flows, which couples a near-field, implicit, wave-split, finite volume analysis to far-field eigen analyses, is also described. The linearized aerodynamic and numerical models have been implemented into the three-dimensional unsteady flow code, LINFLUX. This code is applied herein to predict unsteady subsonic flows driven by wake or vortical excitations. The intent is to validate the LINFLUX analysis via numerical results for simple benchmark unsteady flows and to demonstrate this analysis via application to a realistic wake/blade-row interaction. Detailed numerical results for a three-dimensional version of the 10th Standard Cascade and a fan exit guide vane indicate that LINFLUX is becoming a reliable and useful unsteady aerodynamic prediction capability that can be applied, in the future, to assess the three-dimensional flow physics important to blade-row, aeroacoustic and aeroelastic responses.

Verdon, Joseph M.↗
DOE OSTI2025

Mic-hackathon 2024: hackathon on machine learning for electron and scanning probe microscopy

Microscopy is one of the primary sources of information on materials structure and functionality at the nanometer and atomic scales. The data generated through microscopy is often contained in well-structured datasets, enriched with extensive metadata and sample histories, although not always with the same level of detail or storage format. The broad incorporation of data management plans by major funding agencies ensures the preservation and accessibility of this data. However, deriving insights from these rich datasets remains challenging due to the lack of established code ecosystems, standardized benchmarks, and integration strategies. Correspondingly, the efficiency of data usage is very low, and time expenditures at the analysis stage are enormous. In addition to post-acquisition data analysis, the emergence of application programming interfaces by major microscope manufacturers now creates opportunities for real-time ML-based data analytics to enable automated decision making, and particularly ML-agent controlled real-time microscope operation. Despite these opportunities, there is a significant gap in integrating the ML community with the broader microscopy community, limiting the value that these methods bring to physics and materials discovery and materials optimization. Hackathons address these challenges by fostering collaboration between ML experts and microscopy professionals, encouraging the development of innovative solutions that leverage ML for microscopy and preparing the workforce of the future both for microscopy-intensive domains areas, instrument manufacturers, and ML scientists interested in real world applications for fundamental research, materials optimization, and manufacturing. The hackathon generated benchmark datasets and digital twins of microscopes that further contribute to the development of the field and establish data analysis ecosystems. All the codes can be found at GitHub(https://github.com/KalininGroup/Mic-hackathon-2024-codes-publication/tree/1.0.0.1) and Zenodo (https://zenodo.org/records/15579940).

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Upgrades for the CMS simulation

Over the past several years, the CMS experiment has made significant changes to its detector simulation application. The geometry has been generalized to include modifications being made to the CMS detector for 2015 operations, as well as model improvements to the simulation geometry of the current CMS detector and the implementation of a number of approved and possible future detector configurations. These include both completely new tracker and calorimetry systems. We have completed the transition to Geant4 version 10, we have made significant progress in reducing the CPU resources required to run our Geant4 simulation. These have been achieved through both technical improvements and through numerical techniques. Substantial speed improvements have been achieved without changing the physics validation benchmarks that the experiment uses to validate our simulation application for use in production. As a result, we will discuss the methods that we implemented and the corresponding demonstrated performance improvements deployed for our 2015 simulation application.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRSDate not supplied

Benchmark Problem Development for Testing Maturity of Intelligent Contingency Management Tools

This paper presents a process used to develop appropriate scenarios and metrics for evaluating the maturity of intelligent contingency management algorithms. A benchmark scenario is a reference point against which something can be measured, compared, or assessed. Creating an accurate benchmark requires considerable research and expertise. The scenario itself is an artificial representation of a real-world event, designed to achieve a set of learning objectives through experiential learning. Designing an effective benchmark simulation scenario requires careful planning, including identification of clear objectives; capability assessment of the algorithm/tool being evaluated; assessment of necessary levels of fidelity; development of a process flow map of events and event interactions; and identification of metrics that map back to objectives. Thus, a benchmark scenarios for contingency management might consist of one or several commonly used functions taken from real world applications, used for evaluation, characterization and performance measurement of a contingency management algorithm. Behavior of the contingency management algorithm under different environmental conditions should then be able to be predicted using a set of benchmark functions. The paper describes the resulting benchmark problem as an illustration of the application of this process.

Jon Holbrook↗
DOE OSTI2022

Testing nuclear data libraries with burnup for reactor applications

Recently US and European nuclear data libraries have been released, namely ENDF/B-VIII.0 and JEFF-3.3 libraries, which are the result of years of evaluation and validation work in both communities. Consequently, efforts have been made to validate the evaluations in calculations of integral experiments (critical benchmarks, ..etc). Nevertheless, less stringent testing and validation efforts were performed on burnup applications before releasing the libraries. The presented work focusses on the testing of these recent nuclear data libraries for burnup calculations on two benchmarks at the pin and at the assembly level. Monte-Carlo depletion calculations were performed using the VESTA 2.2 code. The K{sub ∞} results between nuclear data libraries are compared. A strong k{sub ∞} bias is observed with burnup using both JEFF-3.3 and JEFF-4T0 compared to all other libraries, and especially ENDF/B-VIII.0, consisting in a strong k{sub ∞} over-estimation at low burnup and a high under-estimation at high burnup. JEFF-3.3 {sup 235}U and {sup 239}Pu evaluations mainly explain this result, as well as fission yields. New {sup 235}U and {sup 239}Pu evaluations were proposed for JEFF-4T0, but they do not address totally the bias issue, even if JEFF-4T0 {sup 239}Pu allows slightly reducing the k{sub ∞} underestimation at high burnup.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

A general Bayesian algorithm for the autonomous alignment of beamlines

Autonomous methods to align beamlines can decrease the amount of time spent on diagnostics, and also uncover better global optima leading to better beam quality. The alignment of these beamlines is a high-dimensional expensive-to-sample optimization problem involving the simultaneous treatment of many optical elements with correlated and nonlinear dynamics. Bayesian optimization is a strategy of efficient global optimization that has proved successful in similar regimes in a wide variety of beamline alignment applications, though it has typically been implemented for particular beamlines and optimization tasks. In this paper, we present a basic formulation of Bayesian inference and Gaussian process models as they relate to multi-objective Bayesian optimization, as well as the practical challenges presented by beamline alignment. We show that the same general implementation of Bayesian optimization with special consideration for beamline alignment can quickly learn the dynamics of particular beamlines in an online fashion through hyperparameter fitting with no prior information. We present the implementation of a concise software framework for beamline alignment and test it on four different optimization problems for experiments on X-ray beamlines at the National Synchrotron Light Source II and the Advanced Light Source, and an electron beam at the Accelerator Test Facility, along with benchmarking on a simulated digital twin. We discuss new applications of the framework, and the potential for a unified approach to beamline alignment at synchrotron facilities.

47 OTHER INSTRUMENTATION↗
DOE OSTI2015

Global Transformations for Legacy Parallel Applications via Structural Analysis and Rewriting

Performance and scalability optimization of large HPC applications is currently a labor-intensive, manual process with very low productivity. Major difficulties come from the disaggregated environment for HPC application development: the compiler is only involved in local decisions (core or multithreaded domain), while a library-based, communication-oriented programming model realizes whole-machine parallelism. Realizing any major global change in such a disaggregated environment is very difficult and involves changing large portions of the source code. We present semi-automated techniques, based on structural analysis and rewriting, for performing global transformations on an HPC application source code. We present two case studies using the Self-Consistent Field (SCF) standalone benchmark as well as the Coupled Cluster (CCSD) module (2.9 million lines of Fortran code), a key module of the NWChem computational chemistry application. We demonstrate how structural rewriting techniques can be used to automate transformations that affect multiple sections of the application's source code. We show that the transformations can be applied in a systematic fashion across the source code bases with minimal manual effort. These transformations improve the scalability of the SCF benchmark by more than two orders of magnitude and the performance of the full CCSD module by a factor of 4.0.

legacy parallel applications↗
DOE OSTI2025

LLM-Inference-Bench: Inference Benchmarking of Large Language Models on AI Accelerators

Large Language Models (LLMs) have propelled groundbreaking advancements across several domains and are commonly used for text generation applications. However, the computational demands of these complex models pose significant challenges, requiring efficient hardware acceleration. Benchmarking the performance of LLMs across diverse hardware platforms is crucial to understanding their scalability and throughput characteristics. We introduce LLM-Inference-Bench, a comprehensive benchmarking suite to evaluate the hardware inference performance of LLMs. We thoroughly analyze diverse hardware platforms, including GPUs from Nvidia and AMD and specialized AI accelerators, Intel Habana and SambaNova. Our evaluation includes several LLM inference frameworks and models from LLaMA, Mistral, and Qwen families with 7B and 70B parameters. Our benchmarking results reveal the strengths and limitations of various models, hardware platforms, and inference frameworks. We provide an interactive dashboard to help identify configurations for optimal performance for a given hardware platform.

Chitty-Venkata, Krishna Teja↗
DOE OSTI2010

Efficient On-demand Connection Management Mechanisms with PGAS Models on InfiniBand

In the last decade or so, clusters have observed a tremendous rise in popularity due to the excellent price to performance ratio. A variety of Interconnects have been proposed during this period, with InfiniBand leading the way due to its high performance and open standard. At the same time, multiple programming models have emerged in order to meet the requirements of various applications and their programming models. To support requirements of multiple programming models, InfiniBand provides multiple transport semantics, ranging from unreliable connectionless to reliable connected characteristics. Among them, the reliable connection (RC) semantics is being widely due to its high performance and support for novel features like Remote Direct Memory Acesss (RDMA), hardware atomics and Network Fault Tolerance. However, the pairwise connection oriented nature of the RC transport semantics limits its scalability and usage at the increasing processor counts. In this paper, we design and implement on-demand connection management approaches in the context of Partitioned Global Address Space (PGAS) programming models, which provided shared memory abstraction and one-sided communication semantics, leading to the development of multiple languages (UPC, X10, Chapel) and libraries (Global Arrays, MPI-RMA). Using Global Arrays as the research vehicle, we implement this approach with Aggregate Remote Memory Copy Interface (ARMCI), the runtime system of Global Arrays. We evaluate our approach, ARMCI-On Demand Connection Management (ARMCI-ODCM) using various microbenchmarks and benchmarks (LU Factorization, RandomAccess and Lennard Jones simulation) and application (Subsurface transport over multiple phases (STOMP)). With the performance evaluation for up to 4096 processors, we are able to have a multi-fold reduction in connection memory with a negligible degradation in performance. Using STOMP at 4096 processors, reduces the overall connection memory by 66 times with no performance degradation. To the best of our knowledge, this is the first design, implementation and evaluation of on-demand connection management with InfiniBand using PGAS models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Quantifying uncertainty for deep learning based forecasting and flow-reconstruction using neural architecture search ensembles

Classical problems in computational physics such as data-driven forecasting and signal reconstruction from sparse sensors have recently seen an explosion in deep neural network (DNN) based algorithmic approaches. However, most DNN models do not provide uncertainty estimates, which are crucial for establishing the trustworthiness of these techniques in downstream decision making tasks and scenarios. In recent years, ensemble-based methods have achieved significant success for the uncertainty quantification in DNNs on a number of benchmark problems. However, their performance on real-world applications remains under-explored. In this work, we present an automated approach to DNN discovery and demonstrate how this may also be utilized for ensemble-based uncertainty quantification. Specifically, we propose the use of a scalable neural and hyperparameter architecture search for discovering an ensemble of DNN models for complex dynamical systems. We highlight how the proposed method not only discovers high-performing neural network ensembles for our tasks, but also quantifies uncertainty seamlessly. This is achieved by using genetic algorithms and Bayesian optimization for sampling the search space of neural network architectures and hyperparameters. Subsequently, a model selection approach is used to identify candidate models for an ensemble set construction. Afterwards, a variance decomposition approach is used to estimate the uncertainty of the predictions from the ensemble. We demonstrate the feasibility of this framework for two tasks — forecasting from historical data and flow reconstruction from sparse sensors for the sea-surface temperature. In conclusion, we demonstrate superior performance from the ensemble in contrast with individual high-performing models and other benchmarks.

Deep ensembles↗
NASA NTRS2014

Benchmarking a Soil Moisture Data Assimilation System for Agricultural Drought Monitoring

Despite considerable interest in the application of land surface data assimilation systems (LDAS) for agricultural drought applications, relatively little is known about the large-scale performance of such systems and, thus, the optimal methodological approach for implementing them. To address this need, this paper evaluates an LDAS for agricultural drought monitoring by benchmarking individual components of the system (i.e., a satellite soil moisture retrieval algorithm, a soil water balance model and a sequential data assimilation filter) against a series of linear models which perform the same function (i.e., have the same basic inputoutput structure) as the full system component. Benchmarking is based on the calculation of the lagged rank cross-correlation between the normalized difference vegetation index (NDVI) and soil moisture estimates acquired for various components of the system. Lagged soil moistureNDVI correlations obtained using individual LDAS components versus their linear analogs reveal the degree to which non-linearities andor complexities contained within each component actually contribute to the performance of the LDAS system as a whole. Here, a particular system based on surface soil moisture retrievals from the Land Parameter Retrieval Model (LPRM), a two-layer Palmer soil water balance model and an Ensemble Kalman filter (EnKF) is benchmarked. Results suggest significant room for improvement in each component of the system.

soil moisture↗
DOE OSTI2017

Chrysler Upset Protrusion Joining Techniques for Joining Dissimilar Metals

The project goal was to develop and demonstrate a robust, cost effective, and versatile joining technique, known as Upset Protrusion Joining (UPJ), for joining challenging dissimilar metal com-binations, especially those where one of the metals is a die cast magnesium (Mg) component. Since two of the key obstacles preventing more widespread use of light metals (especially in high volume automotive applications) are 1) a lack of robust joining techniques and 2) susceptibility to galvanic corrosion, and since the majority of the joint combinations evaluated in this project include die cast Mg (the lightest structural metal) as one of the two materials being joined, and since die casting is the most common and cost effective process for producing Mg components, then successful project completion provides a key enabler to high volume application of lightweight materials, thus potentially leading to reduced costs, and encouraging implementation of lightweight multi-material vehicles for significant reductions in energy consumption and reduced greenhouse gas emissions. Eco-nomic benefits to end-use consumers are achieved primarily via the reduction in fuel consumption. Unlike currently available commercial processes, the UPJ process relies on a very robust mechanical joint rather than intermetallic bonding, so the more cathodic material can be coated prior to joining, thus creating a robust isolation against galvanic attack on the more anodic material. Additionally, since the UPJ protrusion is going through a hole that can be pre-drilled or pre-punched prior to coating, the UPJ process is less likely to damage the coating when the joint is being made. Further-more, since there is no additional cathodic material (such as a steel fastener) used to create the joint, there is no joining induced galvanic activity beyond that of the two parent materials. In accordance with its originally proposed plan, this project has successfully developed process variants of UPJ to enable joining of Mg die castings to aluminum (Al) and steel sheet components of various thicknesses, strengths and coating configurations. While most development focused on the simpler round boss version of the process, an additional phase of the work focused on devel-opment of an oval boss version to support applications with narrow flanges, while yet another vari-ant of the process, known as Upset Cast Riveting (UCR), was developed and evaluated for joining mixed metals that may not necessarily include Mg or Al die cast components. Although each varia-tion posed unique challenges described later in the report, all variations were successfully produced and evaluated, and each could be further developed for specific types of commercial applications. In this project, UPJ performed favorably against the benchmark self-pierce riveting (SPR) process in Mg AM60B to Al 6013 combinations although significant corrosion challenges were observed in both processes, especially for the bare Mg to bare Al configurations. Additional challenges were observed in joining Mg to steel with the UPJ process (SPR was not evaluated for this combination as it was not considered viable). To pass FCA’s specified corrosion tests with Mg/steel combina-tions, new steel treatments were evaluated, as well as adhesives and sealed edges. These showed significant improvement. In general, UPJ performed very well in Mg to Al 6016 combinations, even in corrosion evaluation of the bare Mg to bare Al configuration (again, SPR was not evaluated for this material combination as the 1.1 mm thick Al6016 sheet thickness was considered too thin for the SPR process). The improvement in corrosion performance of the Mg to Al 6016 combina-tion over the Mg to Al 6013 combination was thought to be a result of the lower copper content in the Al 6016 alloy. Oval boss joints showed substantial improvement in all joint strength criteria compared to 8.0-mm diameter round boss joints but were not evaluated for corrosion performance. The improved joint strength is likely a result of larger shear area. Cosmetic corrosion performance of all test assemblies (UPJ, UCR and SPR) was a challenge due to exposed edges and crevices al-lowing undercutting of the coatings. In real world component applications, the exposed edges, so prevalent on the joining test coupons, would be less prevalent and easier to protect.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Computational study of critical mass curves for various ratios of {sup 238}Pu to {sup 239}Pu

A MCNP study for a water-reflected sphere of plutonium metal water pseudo-solution was performed for a various ratios of {sup 238}Pu to {sup 239}Pu to develop minimum critical mass curves. The {sup 238}Pu atom percent (at. %) was varied from 35 to 100 percent. It was demonstrated that at {sup 238}Pu ratios of ≥ 65 at. % the high absorption cross section of {sup 238}Pu in the thermal energy region dominates the system reactivity for water moderated systems resulting in a minimum critical mass in the metal rather than solution regime. However, due to the lack of available benchmark experiments to validated use of the {sup 238}Pu cross-section data for quantities above gram-level, the models fell outside the area of applicability (AOA) of the Los Alamos National Laboratory's (LANL) Nuclear Criticality Safety Division's (NCSD) MCNP validation report. An additional of margin of subcriticality (MOS) is needed for {sup 238}Pu systems. This additional MOS will be dependent on the amount and significance of the {sup 238}Pu, which varies in the MCNP study. Whisper is a computational software package designed to assist with validation studies for MCNP. Whisper uses sensitivity/uncertainty (S/U) methods to select relevant benchmarks to a particular application model. Therefore, Whisper 1.0.0 was used on the curve minima in the solution regime for the 65 at. % {sup 238}Pu curve to estimate an appropriate additional margin of subcriticality and create a subcritical curve based on the suggested upper subcritical limits (USL)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS2004

Employing Nested OpenMP for the Parallelization of Multi-Zone Computational Fluid Dynamics Applications

In this paper we describe the parallelization of the multi-zone code versions of the NAS Parallel Benchmarks employing multi-level OpenMP parallelism. For our study we use the NanosCompiler, which supports nesting of OpenMP directives and provides clauses to control the grouping of threads, load balancing, and synchronization. We report the benchmark results, compare the timings with those of different hybrid parallelization paradigms and discuss OpenMP implementation issues which effect the performance of multi-level parallel applications.

Ayguade, Eduard↗
DOE OSTI2021

Molybdenum Benchmark Update [Slides]

Review of Motivations: Molybdenum (Mo) isotopes found in HALEU fuels, space reactor applications, fission product inventories; 95 Mo is one of the 15 main absorbing fission products in light water reactors; New differential measurements of isotopic Mo cross sections in unresolved resonance region (URR) from RPI need validation; New and future Mo cross sections from IRSN and JAEA at J-PARC need validation; There are few benchmarks sensitive to Mo; Only one intermediate benchmark.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2015

Bare, Complex, and Potassium-Filled HEU Oralloy Annuli Benchmark Experiments

Hundreds of critical experiments were constructed from Oak Ridge Alloy (oralloy) during the 1960s and 1970s at the Oak Ridge Critical Experiments Facility (ORCEF) in support of criticality safety operations at the Y-12 Plant. The purpose of these experiments included the evaluation of storage, casting, and handling limits and providing data for verification of calculation methods and cross sections for nuclear criticality safety applications. Recent contributions to the International Handbook of Evaluated Criticality Safety Benchmark Experiments (ICSBEP Handbook) include bare, complex, and potassium-filled annuli comprising multiple stacked units of highly enriched uranium (HEU), ~93.2 wt.% 235U, annuli, discs, and parallelepipeds. Prior contributions to the ICSBEP Handbook include bare (unreflected and unmoderated) cylinders; configurations of cylinders and annuli reflected with polyethylene, beryllium, or thin-graphite reflectors; GROTESQUE; and ORSphere. The newest contributions include a bare HEU 11-7 (11 inch outer diameter and 7 inch inner diameter) annulus capped at the top and bottom; bare HEU 13-7, 15-7, and 15-9 annuli; bare HEU complex annuli consisting of a 15-9 annulus containing either an off-center 7-inch-diameter cylinder, 5 × 5 inch parallelepiped, or split parallelepiped; and an HEU 13-7 annulus containing either empty stainless steel cans or potassium-metal-filled cans. The purpose of this latter pair of annulus configurations was to test the fast neutron cross sections of potassium as it was a candidate for coolant in some early space power reactor designs. A total of nine new configurations were evaluated as acceptable benchmark experiment measurements. Additional ORCEF oralloy experiments have also been identified for future benchmark evaluation.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2015

GROWTH OF THE INTERNATIONAL CRITICALITY SAFETY AND REACTOR PHYSICS BENCHMARK EXPERIMENT EVALUATION PROJECTS SINCE ICNC 2011

Since the International Conference on Nuclear Criticality Safety (ICNC) 2011, the International Criticality Safety Benchmark Evaluation Project (ICSBEP) and the International Reactor Physics Experiment Evaluation Project (IRPhEP) have continued to expand their efforts. Twenty countries have continued to participate in the ICSBEP since 2011; participating countries in the IRPhEP have grown from 16 in 2011 to 20 in 2015. Since ICNC 2011, the contents of the International Handbook of Evaluated Criticality Safety Benchmark Experiments have increased from 533 evaluations (approximately 58,000 pages), containing benchmark specifications for 4,552 critical or subcritical configurations to 561 evaluations (approximately 67,000 pages), containing benchmark specifications for 4,839 critical or subcritical configurations in the 2014 Edition of the ICSBEP Handbook. While the current number of criticality-alarm-placement/shielding benchmark configurations has remained at 24, the number of fundamental physics measurements relevant to criticality safety applications has increased from 200 to 207. Since ICNC 2011, the contents of the International Handbook of Evaluated Reactor Physics Benchmark Experiments have increased from 53 experimental series that were performed at 31 different reactor facilities to 143 experimental series that were performed at 50 different reactor facilities in the 2015 Edition of the IRPhEP Handbook. The status of the ICSBEP and the IRPhEP is discussed and benchmarks that have been more recently added to the handbooks are highlighted.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗