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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Reconstruction of broad features in the primordial spectrum and inflaton potential from Planck

With the recently published Cosmic Microwave Background data from Planck we address the optimized binning of the primordial power spectrum. As an important modification to the usual binning of the primordial spectrum, along with the spectral amplitude of the bins, we allow the position of the bins also to vary. This technique enables us to address the location of the possible broad physical features in the primordial spectrum with relatively smaller number of bins compared to the analysis performed earlier. This approach is in fact a reconstruction method looking for broad features in the primordial spectrum and avoiding fitting noise in the data. Performing Markov Chain Monte Carlo analysis we present samples of the allowed primordial spectra with broad features consistent with Planck data. To test how realistic it is to have step-like features in primordial spectrum we revisit an inflationary model, proposed by A. A. Starobinsky which can address the similar features obtained from the binning of the spectrum. Using the publicly available code BINGO, we numerically calculate the local f{sub NL} for this model in equilateral and arbitrary triangular configurations of wavevectors and show that the obtained non-Gaussianity for this model is consistent with Planck results. In this paper we have also considered different spectral tilts at different bins to identify the cosmological scale that the spectral index needs to have a red tilt and it is interesting to report that spectral index cannot be well constrained up to k ≈ 0.01Mpc{sup −1}.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Performance portable ice-sheet modeling with MALI

High-resolution simulations of polar ice sheets play a crucial role in the ongoing effort to develop more accurate and reliable Earth system models for probabilistic sea-level projections. These simulations often require a massive amount of memory and computation from large supercomputing clusters to provide sufficient accuracy and resolution; therefore, it has become essential to ensure performance on these platforms. Many of today’s supercomputers contain a diverse set of computing architectures and require specific programming interfaces in order to obtain optimal efficiency. In an effort to avoid architecture-specific programming and maintain productivity across platforms, the ice-sheet modeling code known as MPAS-Albany Land Ice (MALI) uses high-level abstractions to integrate Trilinos libraries and the Kokkos programming model for performance portable code across a variety of different architectures. In this article, we analyze the performance portable features of MALI via a performance analysis on current CPU-based and GPU-based supercomputers. The analysis highlights not only the performance portable improvements made in finite element assembly and multigrid preconditioning within MALI with speedups between 1.26 and 1.82x across CPU and GPU architectures but also identifies the need to further improve performance in software coupling and preconditioning on GPUs. We perform a weak scalability study and show that simulations on GPU-based machines perform 1.24–1.92x faster when utilizing the GPUs. The best performance is found in finite element assembly, which achieved a speedup of up to 8.65x and a weak scaling efficiency of 82.6% with GPUs. We additionally describe an automated performance testing framework developed for this code base using a changepoint detection method. The framework is used to make actionable decisions about performance within MALI. We provide several concrete examples of scenarios in which the framework has identified performance regressions, improvements, and algorithm differences over the course of 2 years of development.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

PYSIMFRAC: A Python library for synthetic fracture generation and analysis

In this paper, we introduce PYSIMFRAC, an open-source python library for generating 3-D synthetic fracture realizations, integrating with fluid simulators, and performing analysis. PYSIMFRAC allows the user to specify one of three fracture generation techniques (Box, Gaussian, or Spectral) and perform statistical analysis including the autocorrelation, moments, and probability density functions of the fracture surfaces and aperture. This analysis and accessibility of a python library allows the user to create realistic fracture realizations and vary properties of interest. In addition, PYSIMFRAC includes integration examples to two different pore-scale simulators and the discrete fracture network simulator, dfnWorks. The capabilities developed in this work provides opportunity for quick and smooth adoption and implementation by the wider scientific community for accurate characterization of fluid transport in geologic media. We present PYSIMFRAC along with integration examples and discuss the ability to extend PYSIMFRAC from a single complex fracture to complex fracture networks.

58 GEOSCIENCES↗
DOE OSTI2016

Conducting a Nuclear Security Assessment

There are three general steps that make up a nuclear security assessment: 1. Develop data Libraries that indicate how effective the physical protection measures are both individually but also as parts of subsystems and actual systems. 2. Perform Path Analysis 3. Perform Scenario Analysis. Depending upon the nature and objectives of the assessment not all three of these steps may need to be performed; for example, at facilities with simple layouts there may not be a need to perform path analysis. Each of these steps is described within this report.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2016

CAMPUS: Fully Coupled Multiphysics Modeling and Simulation of LWR and FBR Nuclear Fuel Behavior

Nuclear fuels operate in an environment that involves complex multiphysics phenomena, and the multiphysics behavior is often tightly coupled. The prediction of fuel behavior under irradiation involves very complex material behavior that is not seen in any other engineering discipline. Understanding and predicting the evolving material properties and phenomenal behaviors of nuclear fuels are major challenges for fuel design and behavior prediction. The multiphysics behavior is often a tightly coupled thermal, mechanical and chemical phenomenon associated with a large number of control parameters and uncertainties, which requires an advanced fuel performance modeling and simulation capability to improve the existing reactors performance, to address environmental and reactor safety concerns. Nuclear fuel performance modeling and simulation capability is necessary as a result of the high cost and difficulty in experimental measurements. So, a fuel performance code called CityU Advanced Multiphysics Nuclear Fuels Performance with User-defined Simulations (CAMPUS) was developed to predict both light water reactor and fast reactor fuel behavior. An effective approach was developed using self-defined multiphysics models based on the framework of COMSOL Multiphysics to manage the nonlinearities associated with light water reactor and fast reactor fuels performance analysis. The modelling and simulations approach is of particular importance since it demonstrates highly interrelated and nonlinear fuel performance models can be developed and implemented into a multiphysics platform, and thus more efforts can be put into physics model development and improvement. The modelling results can be used to identify the important phenomena and parameters, to direct and design experiments and to assist in post analysis of expensive nuclear experiments for light water reactor and fast reactor nuclear fuel performance analysis. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2017

Final Report Scalable Analysis Methods and In Situ Infrastructure for Extreme Scale Knowledge Discovery

The primary challenge motivating this project is the widening gap between the ability to compute information and to store it for subsequent analysis. This gap adversely impacts science code teams, who can perform analysis only on a small fraction of the data they calculate, resulting in the substantial likelihood of lost or missed science, when results are computed but not analyzed. Our approach is to perform as much analysis or visualization processing on data while it is still resident in memory, which is known as in situ processing. The idea in situ processing was not new at the time of the start of this effort in 2014, but efforts in that space were largely ad hoc, and there was no concerted effort within the research community that aimed to foster production-quality software tools suitable for use by Department of Energy (DOE) science projects. Our objective was to produce and enable the use of production-quality in situ methods and infrastructure, at scale, on DOE high-performance computing (HPC) facilities, though we expected to have an impact beyond DOE due to the widespread nature of the challenges, which affect virtually all large-scale computational science efforts. To achieve this objective, we engaged in software technology research and development (R&D), in close partnerships with DOE science code teams, to produce software technologies that were shown to run efficiently at scale on DOE HPC platforms.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2016

Treatment of the uncertainties in fuel rod design analysis

This paper describes the results of the effort performed in order to systematically treat uncertainties in the fuel rod performance analysis with the aim at providing conservative results while also showing the uncertainty of the results (Best Estimate plus Uncertainty). 3 distinct groups of uncertainties affect the prediction of the fuel performance code: -) code models and material properties, -) fuel rod as fabricated parameters, and -) core power and power distribution determination. While the first two groups may be easily covered by statistical analysis, the last group requires good knowledge of the origin of the uncertainties. Especially in tall PWR and VVER-1000 cores where the possibility of fuel assembly bowing affects the inter-assembly gap width generating an uncertainty. In general, this parameter evolves during the residence of the fuel assembly in the core. Several methodological approaches to the core power and power distribution are compared using the TRANSURANUS code. TRANSURANUS is an integral '1.5D' code assuming perfect cylindrical symmetry of the fuel rod and only limited coupling in the axial direction. Core neutron transport, including pin-wise power distributions, are calculated by the nodal code ANDREA. As an example of a practical application, the study of the fuel rod response to the VVER-1000 Condition 2 transient (unintentional dilution of the boric acid in the primary circuit) is shown as well as an example of application of the same statistical approach to the validation of the TRANSURANUS code using the in-pile measurements in the Halden reactor.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2016

Scalable Analysis Methods and In Situ Infrastructure for Extreme Scale Knowledge Discovery

The primary challenge motivating this team’s work is the widening gap between the ability to compute information and to store it for subsequent analysis. This gap adversely impacts science code teams, who are able to perform analysis only on a small fraction of the data they compute, resulting in the very real likelihood of lost or missed science, when results are computed but not analyzed. Our approach is to perform as much analysis or visualization processing on data while it is still resident in memory, an approach that is known as in situ processing. The idea in situ processing was not new at the time of the start of this effort in 2014, but efforts in that space were largely ad hoc, and there was no concerted effort within the research community that aimed to foster production-quality software tools suitable for use by DOE science projects. In large, our objective was produce and enable use of production-quality in situ methods and infrastructure, at scale, on DOE HPC facilities, though we expected to have impact beyond DOE due to the widespread nature of the challenges, which affect virtually all large-scale computational science efforts. To achieve that objective, we assembled a unique team of researchers consisting of representatives from DOE national laboratories, academia, and industry, and engaged in software technology R&D, as well as engaged in close partnerships with DOE science code teams, to produce software technologies that were shown to run effectively at scale on DOE HPC platforms.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Multi-rate OCDMA system BER performance evaluations for different ML-code sequences

This paper analyzes Bit Error Rate (BER) of Optical Code Division Multiple Access (OCDMA) networks for different class of services which are data, voice, and video; whereas Multi-Length Weighted Modified Prime Code (ML-WMPC) sequences are utilized as a spreading code in with respect to previously used ML-Optical Orthogonal codes. Due to variations in bit rates between the mentioned services, each of them assigns a different WMPC sequence length. In addition, the shot noise, thermal noise, and the Multiple Access Interference (MAI) are included and considered as sources of noise in the BER performance analysis. Furthermore, Pulse Position Modulation, Manchester encoding and MAI cancellation (MAIC) technique are utilized to improve the network performance at a higher number of active users. For analysis, the BER performance calculations are investigated for three types of OCDMA receivers such as simple receiver, receiver with MAIC technique, and receiver with MAIC and Manchester encoding. Moreover, the BER mathematical models have been introduced for different bit rates according to the type of service in the presence of the ML-WMPC and the last of three mentioned OCDMA receivers. Finally, these models and their results are compared with the other existing models, where the results show an improvement in BER performance in the proposed approach.

42 ENGINEERING↗
DOE OSTI2022

Tausch: A halo exchange library for large heterogeneous computing systems using MPI, OpenCL, and CUDA

Exchanging halo data is a common task in modern scientific computing applications and efficient handling of this operation is critical for the performance of the overall simulation. Tausch is a novel header-only library that provides a simple API for efficiently handling these types of data movements. Tausch supports both simple CPU-only systems, but also more complex heterogeneous systems with both CPUs and GPUs. It currently supports both OpenCL and CUDA for communicating with GPGPU devices, and allows for communication between GPGPUs and CPUs. The API allows for drop-in replacement in existing codes and can be used for the communication layer in new codes. This paper provides an overview of the approach taken in Tausch, and a performance analysis that demonstrates expected and achieved performance. Here, we highlight the ease of use and performance with three applications: First Tausch is compared to the halo exchange framework from two Mantevo applications, HPCCG and miniFE, and then it is used to replace a legacy halo exchange library in the flexible multigrid solver framework Cedar.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Educating HPC Users in the use of advanced computing technology

We examine a multi-modal approach to educating and training users of an advanced computing technology testbed at the Institute for Advanced Computational Science at Stony Brook University. Ookami provides researchers worldwide with access to 176 Fujitsu A64FX compute nodes, this being the same processor technology powering the Japanese Fugaku supercomputer, the fastest computer in the world since June 2020. However, achieving high-performance on this Arm-based, leadership computing technology requires that users be familiar with details of computer architecture, performance analysis and modeling, and high-performance programming models that are commonly omitted in introductory programming courses. Indeed, regardless of their seniority, many of the testbed users are surprisingly unfamiliar with basic concepts such as vectorization, pipelining, latency/bandwidth, roofline models, computing energy/power, threads, and non-uniform memory access. These same concepts also pervade mainstream x86 technologies, so this is of widespread concern. Due to the national/global nature of our user community that is also very diverse in both discipline and experience, the inability to offer formal classes, and our experience that most people do not tend to read online documentation or training materials in sufficient depth, we have consciously employed multiple approaches that heavily emphasize (online) personal interactions and transfer of skills. Online documentation has been organized around best-practices and FAQs; twice-weekly hackathons and office hours via Zoom enable deep dives by both the team and the user community with multiple broad benefits; a Slack channel provides both real time and archived answers and discussions; and workshops, training and webinars target community needs as they arise. Furthermore, the perspective that these tools are being used in an educational setting rather than just for project communication makes them more effective and contributes to community success.

A64FX↗
DOE OSTI2018

Argonne Bubble Experiment Thermal Model Development III

This report describes the continuation of the work reported in “Argonne Bubble Experiment Thermal Model Development” and “Argonne Bubble Experiment Thermal Model Development II”. The experiment was performed at Argonne National Laboratory (ANL) in 2014. A rastered 35 MeV electron beam deposited power in a solution of uranyl sulfate, generating heat and radiolytic gas bubbles. Irradiations were performed at beam power levels between 6 and 15 kW. Solution temperatures were measured by thermocouples, and gas bubble behavior was recorded. The previous report2 described the Monte-Carlo N-Particle (MCNP) calculations and Computational Fluid Dynamics (CFD) analysis performed on the as-built solution vessel geometry. The CFD simulations in the current analysis were performed using Ansys Fluent, Ver. 17.2. The same power profiles determined from MCNP calculations in earlier work were used for the 12 and 15 kW simulations. The primary goal of the current work is to calculate the temperature profiles for the 12 and 15 kW cases using reasonable estimates for the gas generation rate, based on images of the bubbles recorded during the irradiations. Temperature profiles resulting from the CFD calculations are compared to experimental measurements.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

PIPER: Performance Insights for Programmers and Exascale Runtimes

During the lifetime of the project, the PIPER at the University of Utah worked in collaboration with the team from the partner institutions to establish a set of software tools for analyzing and improving the performance parallel computing tools. These activities complement and complete the work performed by the other X-Stack 2 projects with the definition of a common data models and computing infrastructures, which have been a central element in the targeted performance analysis pipeline and new programming models. The University of Utah team have focused mainly on developing data analysis and visualization systems to facilitate exploration, comparison and evaluation of the behavior and performance of complex algorithms in modern HPC infrastructures. This is involved several demonstrations of the performance achieved and presentation of the results in a way that facilitates the users understand bottlenecks and ways to overcome them. One major focus of the University of Utah activities has been the analysis of the performance characteristics of Fat-Tree and Dragonfly topology networks. The work involved the development of practical visualization systems especially in collaboration with the team at LLNL, and published several papers and gave invited talks at prestigious venues such as the Salishan Conference on High-Speed Computing or the International Conference on High Performance Computing, Data, and Analytics. In addition, the university of Utah team has advanced the core activities on analyzing the performance characteristics of I/O and other data movement systems and their practical use for scaling Uintah and other simulation codes poised for use in the exascale computing environments of the future.

42 ENGINEERING↗
DOE OSTI2022

Implementation of a Practical Teaching Course on Protein Engineering

Protein Engineering is a highly evolved field of engineering aimed at developing proteins for specific industrial, medical, and research applications. Here, we present a practical teaching course to demonstrate fundamental techniques used to express, purify and analyze a recombinant protein produced in Escherichia coli—the enhanced green fluorescent protein (eGFP). The methodologies used for eGFP production were introduced sequentially over six laboratory sessions and included (i) bacterial growth, (ii) sonication (for cell lysis), (iii) affinity chromatography and dialysis (for eGFP purification), (iv) bicinchoninic acid (BCA) and fluorometry assays for total protein and eGFP quantification, respectively, and (v) sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) for qualitative analysis. All groups were able to isolate the eGFP from the cell lysate with purity levels up to 72%. Additionally, a mass balance analysis performed by the students showed that eGFP yields up to 46% were achieved at the end of the purification process following the adopted procedures. A sensitivity analysis was performed to pinpoint the most critical steps of the downstream processing.

Gomes, Luciana (ORCID:0000000289921097)↗
DOE OSTI2015

Minimum critical masses of heterogeneous moderated plutonium and uranium metal systems and their practical application to operation limits - 14355

In criticality safety analysis it is important to recognize the significant differences in reactivity achieved when material transitions from the solid to solution regime. However, the intermediate area of mixed heterogeneous systems (i.e. collections of small pieces) has not been well characterized. To that end, a study has been completed to determine the effect of fissile material piece size/shape on minimum critical mass of a system. The study presented represents a calculation-based investigation of moderated arrays of fissionable material to expand on established plutonium and uranium solution curves of LA-10860 to add the heterogeneous regime between pure a solid and solution of fissionable material. The analysis performed consists of parametric studies utilizing the neutron transport code MCNP6 to calculate the critical mass of systems composed of moderated arrays of varying sizes of spheres, cubes, or elongated rods (height >> diameter). The boundary of the array is increased to find the critical mass for the particular piece geometry and fissile volume density. The different shapes were then compared at points with the same fissile volume density to demonstrate that the key relationship between varying piece shape is the surface area to volume ratio. The results show that as pieces get larger (i.e. more heterogeneous) the minimum critical mass starts to increase. This effect results from the moderation of neutrons becoming less and less effective due to increased self-shielding of larger individual pieces. For plutonium pieces at a surface area to volume ratio of < 13 the reactivity increase from additional neutron moderation can no longer overcome the reactivity decrease from the reduced core density (separation of material pieces). At this point the minimum critical mass is achieved when the plutonium is in a solid metal configuration. This effect is not noticed for uranium which responds much more quickly to moderation and thus almost any sized pieces will increase in reactivity when moderation is introduced. Summarizing the results of the calculation a surface area to volume ratio vs minimum critical mass curve is generated. The curve gives analysts a practical starting minimum critical mass in analysis of heterogeneous systems with known minimum material surface area to volume ratios. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2017

Sensitivity Analysis of Lbloca In Response To 10 Cfr50.46c New Rulemaking

The Nuclear Regulatory Commission (NRC) is proposing a new rulemaking on emergency core system/loss-of-coolant accident (LOCA) performance analysis. In the proposed rulemaking, designated as 10 CFR 50.46c, the US NRC puts forward an equivalent cladding oxidation criterion as a function of cladding pre-transient hydrogen content. The proposed rulemaking imposes more restrictive and burnupdependent cladding embrittlement criteria; consequently more fuel rods need to be analyzed under LOCA conditions to maintain the safety margin, in contrast to the current practice with which only one hot rod needs to be analyzed. New multi-physics analysis methods are required to provide a thorough characterization of the reactor core in order to identify the locations of the limiting rods and quantify safety margins under LOCA conditions. The U.S. DOE’s Light Water Reactor Sustainability (LWRS) Program has initiated a project to develop multi-physics analytical capabilities, called LOTUS, to support the industry in the transition to the proposed rule. An approach to uncertainty quantification and sensitivity analysis with LOTUS was developed. A typical four-loop PWR plant model was developed and simulated by RELAP5-3D with inputs generated from core design and fuel performance analyses, and uncertainty quantification and sensitivity analysis were performed with seventeen uncertain input parameters. The maximum equivalent cladding reacted ratio (ECRR) and peak clad temperature ratio (PCTR) were selected as the figures of merit (FOM). Pearson, Spearman, partial correlation coefficients, and Sobol indices were considered for all of the figures of merit in the sensitivity analysis.

10CFR50.46c↗
DOE OSTI2016

Development of Switchable Polarity Solvent Draw Solutes

Results of a computational fluid dynamic (CFD) study of flow and heat transfer in a printed circuit heat exchanger (PCHE) geometry are presented. CFD results obtained from a two-plate model are compared to corresponding experimental results for the validation. This process provides the basis for further application of the CFD code to PCHE design and performance analysis in a variety of internal flow geometries. As a part of the code verification and validation (V&V) process, CFD simulation of a single semicircular straight channel under laminar isothermal conditions was also performed and compared to theoretical results. This comparison yielded excellent agreement with the theoretical values. The two-plate CFD model based on the experimental PCHE design overestimated the effectiveness and underestimated the pressure drop. However, it is found that the discrepancy between the CFD result and experimental data was mainly caused by the uncertainty in the geometry of heat exchanger during the fabrication. The CFD results obtained using a slightly smaller channel diameter yielded good agreement with the experimental data. A separate investigation revealed that the average channel diameter of the OSU PCHE after the diffusion-bonding was 1.93 mm on the cold fluid side and 1.90 mm on the hot fluid side which are both smaller than the nominal design value. Consequently, the CFD code was shown to have sufficient capability to evaluate the heat exchanger thermal-hydraulic performance.

42 ENGINEERING↗