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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 163 records · Page 9

AIMES Final Technical Report

Many important advances in science and engineering are due to large-scale distributed computing. Notwithstanding this reliance, we are still learning how to design and deploy large-scale production Distributed Computing Infrastructures (DCI). The AIMES project was conceived against this backdrop, following on the heels of a comprehensive survey of scienti c distributed applications [1]. The survey established, arguably for the rst time, the relationship between infrastructure and scienti c distributed applications. It examined well known contributors to the complexity associated with infrastructure, such as inconsistent internal and external interfaces, and demonstrated the correlation with application brittleness. It discussed how infrastructure complexity reinforces the challenges inherent in developing distributed applications.

97 MATHEMATICS AND COMPUTING↗

CDFG Extraction Tool for LLVM

With the dawn of the exascale era, computer scientists and engineers are faced with tremendous challenges across all facets of the HPC system - scalability, performance, reliability, and power consumption. In particular, the power-performance benefit from one processor generation to the next is seeing ever-diminishing returns and will require fundamental changes in the way we approach computation. In fact, it is likely that different applications will require different types of accelerators in order to meet power, performance, and reliability requirements at scale. One potential type of accelerator, a dataflow architecture, diverges from the traditional sequentially executed instruction model into one that reflects the inherent instruction-level parallelism in a program. This work presents the initial steps toward a tool that can extract the control-dataflow graph from an application.

97 MATHEMATICS AND COMPUTING↗

Monitoring Radiochemical Processing Streams for the 238 Pu Supply Program with Process Pulse II

Oak Ridge National Laboratory (ORNL) is developing advanced spectroscopic and real-time monitoring capabilities to improve the timeliness of analytical measurements and process decisions for the 238Pu Supply Program. Reducing the time, resources, and costs associated with each production campaign is critical because overlapping campaigns will be required to meet the production goals of the National Aeronautics and Space Administration. Real-time, in situ analytical measurements in the heavily shielded hot cells at the Radiochemical Engineering Development Center (REDC) will allow for rapid process information feedback and operational benefits that help the 238Pu supply program scale-up production efforts. Noteworthy steps were taken during Campaign 5 to establish the ability to monitor processing streams in real time with spectrophotometry and a commercially available online monitoring software called The Unscrambler X Process Pulse II (PP) multivariate statistical process monitoring system by Camo Analytics (version 5.60). PP automates univariate-type calculations within the software itself and executes multivariate models built using The Unscrambler X (version 10.4 or newer). The Unscrambler is a commercially available data analysis software made by the same company. PP is composed of easy-to-use-tools for all personnel, including data scientists and technicians. The software can be used to plot analyte concentration profiles, spectral data, and other process variables in real time. All process data are represented in a single view with interactive charts useful for viewing how a process evolves over time.

07 ISOTOPE AND RADIATION SOURCES↗

Two MCNP Models for Computational Performance Benchmarking

The purpose of this report is to describe two non-trivial MCNP models and execution configurations that are suitable to characterizing computational performance. To that end, this report uses a constructive solid geometry (CSG) representation of the Oak Ridge National Laboratory (ORNL) Pool Critical Assembly (PCA) [1–3] to perform a k-eigenvalue calculation and an unstructured mesh (UM) representation of the International Commission on Radiological Protection (ICRP) publication 145 (ICRP145) male human phantom [4, 5] to perform a fixed-source calculation assuming that a 1 MeV photon source is distributed throughout the phantom’s liver.

97 MATHEMATICS AND COMPUTING↗

Potential Soil Moisture Products from the Aquarius Radiometer and Scatterometer Using an Observing System Simulation Experiment

Using an observing system simulation experiment (OSSE), we investigate the potential soil moisture retrieval capability of the National Aeronautics and Space Administration (NASA) Aquarius radiometer (L-band 1.413 GHz) and scatterometer (L-band, 1.260 GHz). We estimate potential errors in soil moisture retrievals and identify the sources that could cause those errors. The OSSE system includes (i) a land surface model in the NASA Land Information System, (ii) a radiative transfer and backscatter model, (iii) a realistic orbital sampling model, and (iv) an inverse soil moisture retrieval model. We execute the OSSE over a 1000 2200 km2 region in the central United States, including the Red and Arkansas river basins. Spatial distributions of soil moisture retrieved from the radiometer and scatterometer are close to the synthetic truth. High root mean square errors (RMSEs) of radiometer retrievals are found over the heavily vegetated regions, while large RMSEs of scatterometer retrievals are scattered over the entire domain. The temporal variations of soil moisture are realistically captured over a sparely vegetated region with correlations 0.98 and 0.63, and RMSEs 1.28% and 8.23% vol/vol for radiometer and scatterometer, respectively. Over the densely vegetated region, soil moisture exhibits larger temporal variation than the truth, leading to correlation 0.70 and 0.67, respectively, and RMSEs 9.49% and 6.09% vol/vol respectively. The domain-averaged correlations and RMSEs suggest that radiometer is more accurate than scatterometer in retrieving soil moisture. The analysis also demonstrates that the accuracy of the retrieved soil moisture is affected by vegetation coverage and spatial aggregation.

climate↗

Measurement of carbon capture efficiency and stored carbon leakage

Data representative of a measured carbon dioxide (CO.sub.2) concentration and of a measured oxygen (O.sub.2) concentration at a measurement location can be used to determine whether the measured carbon dioxide concentration at the measurement location is elevated relative to a baseline carbon dioxide concentration due to escape of carbon dioxide from a source associated with a carbon capture and storage process. Optionally, the data can be used to quantify a carbon dioxide concentration increase at the first location that is attributable to escape of carbon dioxide from the source and to calculate a rate of escape of carbon dioxide from the source by executing a model of gas-phase transport using at least the first carbon dioxide concentration increase. Related systems, methods, and articles of manufacture are also described.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Using GTO-Velo to Facilitate Communication and Sharing of Simulation Results in Support of the Geothermal Technologies Office Code Comparison Study

The Geothermal Technologies Office Code Comparison Study (GTO-CCS) aims to support the DOE Geothermal Technologies Office in organizing and executing a model comparison activity. This project is directed at testing, diagnosing differences, and demonstrating modeling capabilities of a worldwide collection of numerical simulators for evaluating geothermal technologies. Teams of researchers are collaborating in this code comparison effort, and it is important to be able to share results in a forum where technical discussions can easily take place without requiring teams to travel to a common location. Pacific Northwest National Laboratory has developed an open-source, flexible framework called Velo that provides a knowledge management infrastructure and tools to support modeling and simulation for a variety of types of projects in a number of scientific domains. GTO-Velo is a customized version of the Velo Framework that is being used as the collaborative tool in support of the GTO-CCS project. Velo is designed around a novel integration of a collaborative Web-based environment and a scalable enterprise Content Management System (CMS). The underlying framework provides a flexible and unstructured data storage system that allows for easy upload of files that can be in any format. Data files are organized in hierarchical folders and each folder and each file has a corresponding wiki page for metadata. The user interacts with Velo through a web browser based wiki technology, providing the benefit of familiarity and ease of use. High-level folders have been defined in GTO-Velo for the benchmark problem descriptions, descriptions of simulator/code capabilities, a project notebook, and folders for participating teams. Each team has a subfolder with write access limited only to the team members, where they can upload their simulation results. The GTO-CCS participants are charged with defining the benchmark problems for the study, and as each GTO-CCS Benchmark problem is defined, the problem creator can provide a description using a template on the metadata page corresponding to the benchmark problem folder. Project documents, references and videos of the weekly online meetings are shared via GTO-Velo. A results comparison tool allows users to plot their uploaded simulation results on the fly, along with those of other teams, to facilitate weekly discussions of the benchmark problem results being generated by the teams. GTO-Velo is an invaluable tool providing the project coordinators and team members with a framework for collaboration among geographically dispersed organizations.

Collaborative Tools↗

SISTec: Mathematical Calibration of Large Clearance Monitors - 18265

One major path for clearance of large amount of waste arising from the decommission of nuclear power plants is based on measurement with large clearance monitors (also known as free release measurement facilities). These devices utilize multi-detector plastic scintillator arrays (large clearance monitors can consist of up to 24 plastic scintillators) to offer both, extremely low minimum detectable activities (MDA) and short measurement times for waste packages weighing up to one metric ton. However, a major problem with these devices is to obtain nuclide specific efficiencies, especially for geometrically complex large waste packages. Normal procedure for estimating the efficiency is to device dummy waste packages and attach point sources with well-known activities to unfavourable positions in these packages. In accordance with this procedure, calibration factors can be derived in a radiological conservative way. Devising such test dummies is not always possible and the procedure is prone to generating large measurement uncertainties. In this publication, we propose a new method to derive calibration factors by means of the Los Alamos National Laboratory (LANL) simulation tool Monte Carlo N-Particle (MCNP) and a statistical-phenomenological model for the detector characterization. In a multi-step approach, first the detector response for a distribution of activity in a waste package is calculated and subsequently the detectors are mathematically characterized. Applying state of the art statistical and optimizing procedures, parameters for the detector response are derived in a self-consistent way. This also allows to rigorously propagate the uncertainties to the final calculated calibration factors according to the Guide to the Expression of Uncertainty in Measurement (GUM supplement 1). To validate the derived parameters for the detector characterization a minimally invasive experimental setup was devised and installed into the large clearance monitor. It consisted of an aluminum swivel arm which could position point sources to the relevant coordinates. The so collected measurement data not only allowed to investigate the precision of the calculated calibration factors, but also to probe the location of concentrated activity sources in the waste package. Furthermore, data on measurements with dummy waste packages were collected to test the reproducibility of well-known calibration factors. We present the software tool SIStec, which will provide an intuitive user-interface to generate and simulate waste package models and execute the above-mentioned method. Using SIStec, different scenarios for the distribution of activity in the waste package can be probed. This will also allow to optimize the clearance process on various levels. For example, measurement time for pre-measurements can be reduced in exchange for unfavourable calibration factors, which would still allow to meet the regulator limits for clearance. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

U.S. Department of Energy, Office of Nuclear Energy, Nuclear Fuels Storage and Transportation Planning Project Modeling Tools

The U.S. Department Energy, Office of Nuclear Energy's (DOE-NE) Nuclear Fuels Storage and Transportation (NFST) is developing foundational capabilities and tools to support and inform the future deployment of consolidated interim storage and large-scale transportation of SNF. These tools include Used Nuclear Fuel Storage, Transportation, and Disposal Analysis Resource and Data System (UNF-Standards), Stakeholder Tool for Assessing Radioactive Transportation (START), Transportation and Storage Logistics (TSL), Next- Generation System Analysis Model (NGSAM), Execution Strategy Analysis (ESA), Multi-Objective Evaluation Framework (MOEF), and the Centralized Used Fuel Resource for Information Exchange (CURIE). (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Nuclear ground-state masses and deformations: FRDM(2012)

We tabulate the atomic mass excesses and binding energies, ground-state shell-plus-pairing corrections, ground-state microscopic corrections, and nuclear ground-state deformations of 9318 nuclei ranging from {sup 16}O to A=339. The calculations are based on the finite-range droplet macroscopic and the folded-Yukawa single-particle microscopic nuclear-structure models, which are completely specified. Relative to our FRDM(1992) mass table in Möller et al. (1995), the results are obtained in the same model, but with considerably improved treatment of deformation and fewer of the approximations that were necessary earlier, due to limitations in computer power. The more accurate execution of the model and the more extensive and more accurate experimental mass data base now available allow us to determine one additional macroscopic-model parameter, the density-symmetry coefficient L, which was not varied in the previous calculation, but set to zero. Because we now realize that the FRDM is inaccurate for some highly deformed shapes occurring in fission, because some effects are derived in terms of perturbations around a sphere, we only adjust its macroscopic parameters to ground-state masses. The values of ten constants are determined directly from an optimization to fit ground-state masses of 2149 nuclei ranging from {sup 16}O to {sub 106}{sup 265}Sg and {sub 108}{sup 264}Hs. The error of the mass model is 0.5595 MeV for the entire region of nuclei included in the adjustment, but is only 0.3549 MeV for the region N≥65. We also provide masses in the FRLDM, which in the more accurate treatments now has an error of 0.6618 MeV, with 0.5181 MeV for nuclei with N≥65, both somewhat larger than in the FRDM. But in contrast to the FRDM, it is suitable for studies of fission and has been extensively so applied elsewhere, with FRLDM(2002) constants. The FRLDM(2012) fits 31 fission-barrier heights from {sup 70}Se to {sup 252}Cf with a root-mean-square deviation of 1.052 MeV.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Analyzing Deep Learning Model Inferences for Image Classification using OpenVINO

It may be desirable to execute deep learning model inferences on an integrated GPU at the edge. While such GPUs are much less powerful than discrete GPUs, it is able to deliver higher floating-point operations per second than a CPU located on the same die. For edge devices, the benefit of moving to lower precision with minimal loss of accuracy to obtain higher performance is also attractive. Hence, we chose 14 deep learning models for image classification to evaluate their inference performance with the OpenVINO toolkit. Then, we analyzed the implementation of the fastest inference model of all the models. The experimental results are promising. Compared to the performance of full-precision (FP32) models, the speedup of the 8-bit (INT8) quantization ranges from 1.02 to 1.56 on an Intel (R) Xeon (R) 4-core CPU, and the speedup of the FP16 models ranges from 1.1 to 2 on an Intel (R) Iris (TM) Pro GPU. For the FP32 models, the GPU is on average 1.5X faster than the CPU.

CPU↗

MIRAGE: A Framework for Data-Driven Collaborative High-Resolution Simulation

Information about how human populations shift in response to various stimuli is limited because no single model is capable of addressing these stimuli simultaneously, and integration of the best existing models has been challenging because of the vast disparity among constituent model purposes, architectures, scales, and execution environments. To demonstrate a potential model coupling for approaching this problem, three major model components are integrated into a fully coupled system that executes a worldwide infection-infected routine where a human population requires a food source for sustenance and an infected population can spread an infection when it is in contact with the remaining healthy population. To enable high-resolution data-driven model federation and an ability to capture dynamics and behaviors of billions of humans, a high-performance computing agent-based framework has been created and is demonstrated in this chapter.

60 APPLIED LIFE SCIENCES↗

Modeling Dense Particle Flow in Multistage and Obstructed Flow Receivers Using High Fidelity Simulations

Particles are a leading contender for next-generation, concentrating solar power technologies, and the design of the particle receiver is critical to minimize the levelized cost of electricity. Falling particle receivers (FPRs) are a viable receiver concept, but many new designs feature complex particle obstructions that include dense discrete phase flows. This creates additional challenges for modeling as particle-to-particle interactions (i.e., collisions) and particle drag become more complex. To improve upon existing modeling strategies, a CFD-DEM simulation capability was created by coupling two independent codes: Sierra/Fuego and LAMMPS. A suitable receiver model was then defined using a traditional continuum-based model for the air and a granular model for the particle curtain. A sensitivity study was executed using this model to determine the relevance of different granular model inputs on important quantities of interest in obstructed flow FPRs: the particle velocity and curtain opacity. The study showed that the granular model inputs had little effect on the particle velocity magnitude and curtain opacity after an obstruction.

Mills, Brantley↗

Further Investigation of Employing Binomial Small-Sample Estimator in M-LROM

Reduced Order Modeling (ROM) is essential to enable the identification of the so-called active parameter subspace for high-fidelity models that are employed in computationally intensive analyses such as uncertainty characterization and data assimilation. Given the complexity of models for real-world application, brute force methods to identify the active subspace may not be computationally efficient to realize the value of reduction, since in realistic problems, the full scale model must be executed few hundred times, which may be computationally taxing. Earlier work has introduced a new approach, which represents a further development of our previous work on ROM, referred to as multi-level ROM (M-LROM). In M-LROM, approximate models are employed to identify the active subspace instead of the full scale model. In this summary, we present our recent results on M-LROM, specifically in regard to the construction of reliable error metrics that can bound the errors resulting from the reduction. The idea is to employ a lower fidelity model, i.e., an approximation of the full scale or high fidelity model, to build the active subspace, and via the proposed error bound, the quality of the active subspace can be determined by calculating an upper bound on the errors resulting from the reduction. For this approach to be practical, the error bound must be realistic, implying that it should be close to the actual errors expected, and not much higher. Therefore, an important goal of this summary is to compare different error bounds in terms of the relation between their estimated bounds to the actual errors. In particular, we compare the proposed error bound which numerically construct an estimator using binomial distribution to the widely used small-sample norm estimators. Unlike most probabilistic error estimation methods, the proposed bound employs a binomial distribution to construct the estimator whereas in other conventional methods, the distribution employed is typically the standard Gaussian, normalized over a unit hypersphere as initially proposed by the seminal paper of J. Dixon on random matrix theory. Previous publications provided evidence that the binomial distribution calculates more realistic bounds as compared to the Gaussian distribution, which tends to be conservative, implying that the bound is much bigger than the actual errors, which diminishes the value of the reduction, as now must increase the size of the active subspace to reach the desired upper bound on the reduction errors. This work has provided a rigorous approach by which error bounds on the reduction errors can be established without having to execute the high fidelity model during the construction of the active subspace. The high fidelity model is only need to test the error bound using small number of executions. This methodology paves the way for a more efficient application of ROM to complex engineering models, where standard ROM techniques may be too taxing to optimally realize their value in practical situations. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

V&V Integrated Program Planning for Wind Plant Performance

The Department of Energy Atmosphere to Electrons (A2e) initiative has undertaken an experimental planning process for a validation directed program and an experimental planning process directed at improving simulations of wind plant performance. The validation process has been divided into two main sections: Integrated Program Planning, and Integrated Experiment and Model Planning and Execution. This document covers the Integrated Program Planning process in detail as it has been applied to the validation and assessment of models of various fidelity to predict wind plant performance. Three main parts of this process are presented in this document: the Phenomenon Identification and Ranking Table, the Validation Hierarchy, and the Prioritized Phenomenon and Experiment Mapping table. The document concludes with a description of validation program process next steps, which includes the planning and execution of integrated experiment and model campaigns

17 WIND ENERGY↗

Energy-aware Thread and Data Management in Heterogeneous Multi-core, Multi-memory Systems

By 2004, microprocessor design focused on multicore scaling—increasing the number of cores per die in each generation—as the primary strategy for improving performance. These multicore processors typically equip multiple memory subsystems to improve data throughput. In addition, these systems employ heterogeneous processors such as GPUs and heterogeneous memories like non-volatile memory to improve performance, capacity, and energy efficiency. With the increasing volume of hardware resources and system complexity caused by heterogeneity, future systems will require intelligent ways to manage hardware resources. Early research to improve performance and energy efficiency on heterogeneous, multi-core, multi-memory systems focused on tuning a single primitive or at best a few primitives in the systems. The key limitation of past efforts is their lack of a holistic approach to resource management that balances the tradeoff between performance and energy consumption. In addition, the shift from simple, homogeneous systems to these heterogeneous, multicore, multi-memory systems requires in-depth understanding of efficient resource management for scalable execution, including new models that capture the interchange between performance and energy, smarter resource management strategies, and novel low-level performance/energy tuning primitives and runtime systems. Tuning an application to control available resources efficiently has become a daunting challenge; managing resources in automation is still a dark art since the tradeoffs among programming, energy, and performance remain insufficiently understood. In this dissertation, I have developed theories, models, and resource management techniques to enable energy-efficient execution of parallel applications through thread and data management in these heterogeneous multi-core, multi-memory systems. I study the effect of dynamic concurrent throttling on the performance and energy of multi-core, non-uniform memory access (NUMA) systems. I use critical path analysis to quantify memory contention in the NUMA memory system and determine thread mappings. In addition, I implement a runtime system that combines concurrent throttling and a novel thread mapping algorithm to manage thread resources and improve energy efficient execution in multi-core, NUMA systems.

97 MATHEMATICS AND COMPUTING↗

Towards Redefining the Reproducibility in Quantum Computing: A Data Analysis Approach on NISQ Devices

Although the building of quantum computers has kept making rapid progress in recent years, noise is still the main challenge for any application to leverage the power of quantum computing. Existing works addressing noise in quantum devices proposed noise reduction when deploying a quantum algorithm to a specified quantum computer. The reproducibility issue of quantum algorithms has been raised since the noise levels vary on different quantum computers. Importantly, existing works largely ignore the fact that the noise of quantum devices varies as time goes by. Therefore, reproducing the results on the same hardware will even become a problem. We analyze the reproducibility of quantum machine learning (QML) algorithms based on daily model training and execution data collection. Our analysis shows a correlation between our QML models’ test accuracy and quantum computer hardware’s calibration features. We also demonstrate that noisy simulators for quantum computers are not a reliable tool for quantum machine learning applications.

Senapati, Priyabrata↗