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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 649 records · Page 36
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Validation of High-Fidelity Reactor Physics Models for Support of the KJRR Experimental Campaign in the Advanced Test Reactor

The Korea Atomic Energy Research Institute is currently in the process of qualifying a Low-Enriched Uranium fuel element design for the new Ki-Jang Research Reactor (KJRR). As part of this effort, a prototype KJRR fuel element was irradiated for several operating cycles in the Northeast Flux Trap of the Advanced Test Reactor (ATR) at the Idaho National Laboratory. The KJRR fuel element contained a very large quantity of fissile material (618g 235U) in comparison with historical ATR experiment standards (<1g 235U), and its presence in the ATR flux trap was expected to create a neutronic configuration that would be well outside of the approved validation envelope for the reactor physics analysis methods used to support ATR operations. Accordingly it was necessary, prior to high-power irradiation of the KJRR fuel element in the ATR, to conduct an extensive set of new low-power physics measurements with the KJRR fuel element installed in the ATR Critical Facility (ATRC), a companion facility to the ATR that is located in an immediately adjacent building, sharing the same fuel handling and storage canal. The new measurements had the objective of expanding the validation envelope for the computational reactor physics tools used to support ATR operations and safety analysis to include the planned KJRR irradiation in the ATR and similar experiments that are anticipated in the future. The computational and experimental results demonstrated that the neutronic behavior of the KJRR fuel element in the ATRC is well-understood, both in terms of its general effects on core excess reactivity and fission power distributions, its effects on the calibration of the core lobe power measurement system, as well as in terms of its own internal fission rate distribution and total fission power per unit ATRC core power. Taken as a whole, these results have significantly extended the ATR physics validation envelope, thereby enabling an entire new class of irradiation experiments.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2026

Computational Analysis of Hydraulic Efficiency of Michigan DOT Covers J and K

Drainage structures are used in urban street and highway systems to capture stormwater runoff. These structures typically consist of catch basins fitted with grates, inlets, or combination grate/inlet configurations that collect runoff and convey it through buried drainage systems. They are strategically placed within curb-and-gutter systems to enhance public safety by efficiently removing water from roadways and thereby reducing the risk of hydroplaning. The performance of drainage structures is commonly evaluated in terms of hydraulic efficiency, defined as the percentage of flow captured by the basin relative to the total flow reaching the structure. Understanding the hydraulic performance of these structures allows designers to properly space inlets, resulting in cost-effective designs that also help ensure the safety of the traveling public. MDOT uses a variety of drainage structures for runoff capture, as documented in Michigan Department of Transportation (MDOT) Drainage Manual. Many of these structures incorporate sinusoidal-type grates that are not addressed in HEC-22. Because physical modeling of these structures has been limited, further analysis is needed to verify their capture efficiency. Under current MDOT practice, the capture efficiency of these grates is estimated by assuming performance similar to that of a comparably sized reticuline grate described in HEC22. The first phase of this effort, titled Computational Analysis of Hydraulic Efficiency of Michigan DOT Cover C, focused on evaluating the hydraulic performance of MDOT’s Cover C grate. Cover C was selected as the initial test candidate because its sinusoidal pattern is representative of other MDOT grates, while it is typically used in high-volume, higher-speed applications. A similar version, Cover CX, is used on interstate highways but does not include transverse bars for bicycle safety. The current second phase of the study expands this work to evaluate MDOT’s Covers J and K. These grates were selected for additional analysis to further assess the hydraulic performance of MDOT drainage structures that are not directly represented by grate configurations in HEC-22. The results of this phase will build on the findings from the Cover C analysis and support improved understanding of the capture efficiency of MDOT’s standard drainage grates. This report is intended to serve as a companion document to the earlier study, Computational Analysis of Hydraulic Efficiency of Michigan DOT Cover C [3]. The present work applies the same overall CFD-based evaluation approach to MDOT Covers J and K and compares the resulting performance trends with those previously identified for Cover C. In particular, both studies assess on-grade interception efficiency, sag-location hydraulic capacity, and the effects of partial obstruction relative to HEC-22-based design estimates.

42 ENGINEERING↗
DOE OSTI2023

Initial Characterization and Optimization of the Liquid Sampling-Atmospheric Pressure Glow Discharge Ionization Source Coupled to an Orbitrap Mass Spectrometer for the Determination of Plutonium

Plutonium measurements are essential to the nuclear forensics and safeguards community. The liquid sampling-atmospheric pressure glow discharge (LS-APGD) microplasma ionization source coupled with an Orbitrap mass spectrometer is a proven platform for uranium isotope ratio determinations. Here, this work expands the LS-APGD-Orbitrap platform capabilities by reporting the first-ever analysis of plutonium with the LS-APGD and the first-ever measurement of elemental plutonium with an Orbitrap mass spectrometer. This coupling has the potential to dramatically reduce the complex sample manipulations required for traditional analysis techniques employed for actinide isotope ratio determinations. As a first step toward the goal of simultaneous uranium and plutonium isotope ratio determinations, the initial characterization and optimization of the platform for the detection of plutonium are reported. Collision-induced dissociation modality settings were optimized to reduce water-related and other molecular clusters containing plutonium, maximizing 242 Pu 16 O 2 + responses. A design of experiments study was conducted to optimize the discharge conditions of the dual-electrode LS-APGD toward the responsivity of 242 Pu 16 O 2 +. The measurement sensitivity was determined from a Pu response curve, yielding a limit of detection of 10 fg (absolute) of total analyte when data was collected and processed with a Spectroswiss FTMS Booster X2 data acquisition system. Additionally, plutonium and uranium were measured in a simultaneous acquisition, and each analyte remained unaffected by the other. It is believed that the LS-APGD-Orbitrap platform could be a valuable addition to the nuclear forensics’ toolbox and, indeed, other scientific disciplines and regulatory communities in which rapid, high-resolution plutonium determinations are paramount.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Electro-Oxidation of Methane on Platinum under Ambient Conditions

Herein, we investigate the electrochemical conversion of methane to CO 2 on platinum electrodes under ambient conditions. Through a combination of experimentation, density functional theory (DFT) calculations, and ab initio kinetic modeling, we have developed an improved understanding of the reaction mechanism and the factors that determine catalyst activity. We hypothesized that the rate-determining methane activation step is thermochemical (i.e., CH 4 (g) → CH 3 * + H * ) as opposed to electrochemical based on a fitted barrier of approximately 0.96 eV that possesses minimal potential dependence. We developed a simple kinetic model based on the assumption of thermochemical methane activation as the rate-determining step, and the results match well with experimental data. Namely, the magnitude of the maximum current density and the electrode potential at which it is realized agree with our ab initio kinetic model. Finally, we expanded our kinetic model to include other transition metals via a descriptor-based analysis and found platinum to be the most active catalyst for the oxidation of methane, which is in line with previously published experimental observations.

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

iVirus 2.0: Cyberinfrastructure-supported tools and data to power DNA virus ecology

Microbes drive myriad ecosystem processes, but under strong influence from viruses. Because studying viruses in complex systems requires different tools than those for microbes, they remain underexplored. To combat this, we previously aggregated double-stranded DNA (dsDNA) virus analysis capabilities and resources into ‘iVirus’ on the CyVerse collaborative cyberinfrastructure. Here we substantially expand iVirus’s functionality and accessibility, to iVirus 2.0, as follows. First, core iVirus apps were integrated into the Department of Energy’s Systems Biology KnowledgeBase (KBase) to provide an additional analytical platform. Second, at CyVerse, 20 software tools (apps) were upgraded or added as new tools and capabilities. Third, nearly 20-fold more sequence reads were aggregated to capture new data and environments. Finally, documentation, as “live” protocols, was updated to maximize user interaction with and contribution to infrastructure development. Together, iVirus 2.0 serves as a uniquely central and accessible analytical platform for studying how viruses, particularly dsDNA viruses, impact diverse microbial ecosystems.

Bolduc, Benjamin (ORCID:0000000324200755)↗
DOE OSTI2026

Short and medium range structure in elastic deformation of metallic and covalent glasses

Here, we present a concise methodology to analyze structural response to the applied stress in amorphous solids, including metallic glasses (MG), glassy selenium, silica and polycarbonate, using high energy x-ray diffraction and atomic pair distribution function (PDF) analysis. To assess the structural anisotropy induced by applied axial stress, diffraction data were expanded into spherical harmonics. Using Bessel transformation, components of the structure function were converted into isotropic and anisotropic PDFs. The PDFs were compared to the expected model behavior for ideal elastic deformation to separate homogeneous affine strain from local non-affine strains. In metallic glass the range of non-affine deformation is limited to the nearest neighbor shell, suggesting local strain relaxation under stress that occurs even in the elastic regime. Beyond the second atomic shell strain is uniform. However, in glassy silica, polycarbonate and selenium strong local bonding inhibits local displacements and strain in short range order is accommodated by rotation of local units. Interestingly, beyond a molecular unit, deformation in covalent systems is similar to MG, and response of the medium range order scales with the macroscopic stress.

glassy structure↗
DOE OSTI2020

National-Tribal Critical Infrastructure Protection: Collaboration for Extraordinary National Security Benefit

This paper examines national and tribal collaborative opportunities to get ahead of the critical infrastructure insecurity problem. Recommendations are viewed through the lens of the Sandia Labs Tribal Cyber-Energy initiative and national security projects. Recommendations include 1) Collaboratively address national priority and shared challenges to gain faster and better solutions to national priority problems on a smaller yet comprehensive American Indian and Alaskan Native sovereign single-point of authority scale 2) Utilize newer standards-based technologies to provide scalable, capable, and manageable solutions for greatly expanded and connected national critical infrastructures 3) Employ Cyber-Physical-Resilient design preliminary analysis to define concept- to-disposition design requirements for preemptive critical infrastructure risk mitigation and baked-in security; 4) Develop data-centric protection to provide increased information asset protection as data shifts from data-owner operated on-premises infrastructure to virtual service provider data-steward owned and operated off-premises infrastructure; and 5) Balance shared solutions with the National Institute of Science and Technology (NIST) Cybersecurity and Risk Management frameworks, and the System Security Engineering Guidelines. As yet unallocated federal funding would support research, development, the timely application of National-Tribal critical infrastructure protection, and critical infrastructure Cyber disruption response and recovery with extraordinary mutual benefits for the foreseeable future. The Critical Infrastructure Insecurity Problem: Rapid modernization and expansive connectivity are due to advances in Information and Communications Technologies that have sweeping cyber impact across all critical infrastructure sectors. Supervisory Control and Data Acquisition and Industrial Control Systems are particularly impacted as systems long separated from the Internet are now being connected and computerized. Virtualization and mobility create a Data Everywhere-User Anywhere paradigm that has evaporated the enterprise network perimeter. There are multi-front technological challenges at play, where long depended on technologies simply don't scale to current needs resulting in a digital dichotomy of competing old and new standards. New standards-based technologies scale but are not as well-known or as widely deployed, which leaves decision makers, stakeholders, and the workforce in a quandary, caught mid-stream between the technological past and the virtual future. Rapid and expansive cyber threat accompanies disruptive change in connectivity and computational dependencies. A lack of action will exacerbate the problem if new technologies roll out without baked-in security design. The Risk: If National-Tribal CIP collaboration to design in security is not done, then an ongoing state of insufficient bolt-on security and elevated threat exposure will remain for years to come.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2020

A Parallel Computing Infrastructure for Building Energy Simulation

In order to study grid-interactive efficient buildings, Pacific Northwest National Laboratories (PNNL) needs an infrastructure for urban-scale building energy modeling. Such an infrastructure should be fast, scalable, and easy-to-use. Given a set of data from the Energy Information Administration’s Commercial Building Energy Consumption Survey (CBECS) and tool to translate survey data into simulation inputs, this project aimed to conduct the simulation of the entire dataset in parallel. Before running the simulations, the necessary software was bundled into a container for use on the PNNL supercomputing network. Then, the parallel simulation workflow was designed using GNU Make, a file creation software, and submitted to a supercomputing partition which could run hundreds of simulations simultaneously. The EnergyPlus simulations output hourly electric meter data for each CBECS sample, which represents the electricity consumption of similar commercial buildings across the United States. Analyzing and visualizing the meter data is important to the future of the work, and this project wrote code to make common analysis methods simple, fast, and accessible. Moving forwards, the model will need to be expanded to include data from other sources and its accuracy will need to be improved and eventually validated.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Community Energy Planning: Best Practices and Lessons Learned in NREL's Work with Communities

Whether driven by local goals and actions, external market forces, or both, the clean energy transition is accelerating. The associated increase in clean energy deployment occurs on the ground in communities. As a result, communities increasingly need technical expertise and assistance in planning for and managing the energy transition. Building on decades of work with state, local, and tribal jurisdictions, NREL's work providing modeling, analysis, and technical expertise to enable more data-driven community energy planning is expanding. To inform and enhance NREL's capabilities in community energy planning and provide a resource for others working in this space, NREL developed this best-practices document through interviews with seasoned NREL practitioners and a review of the literature on equitable community planning. Findings include five best practices for community energy planning that NREL practitioners can apply to increase the impact of their work.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2024

Chapter 4: Physically informed deep learning networks for simulating microstructure evolution of 3D polycrystals

As discussed in the previous chapter, high energy diffraction microscopy (HEDM) is used to study the micromechanical evolution of a material during in situ loading. HEDM experiments have been used to verify crystal plasticity (CP) simulations [119, 91, 90, 120], for experimental planning, material design, and to further analyze experimental results. However, Fast Fourier transform-based CP (CP-FFT) or finite element-based CP (CP-FE) methods are often too slow to be used in real-time during an experiment. CP-FFT is faster than CP-FE simulations due to the absence of meshing, but can still take hours to simulate the response of a single volume depending on the size and number of strain steps [127]. Reducing computation time would create a larger exploration space in planning and design, and enable faster analysis of experimental results and real-time feedback during an experiment. This research expands upon previous works to develop a workflow for predicting the full-field evolution of a 3D polycrystal. The workflow is simplified from previous works to predict only orientation and elastic strain tensors (from which stress tensors are calculated). The network is physically informed through loss functions and network architecture for a more robust model. The orientation predictions are informed about the cubic crystal symmetry of the material by incorporating disorientation and misorientation information into the network architecture and loss. The Von Mises stress is used to enforce the correct stress-strain trends in the strain tensor predictions. Additional total strain steps from the elastic and elastoplastic region are included to better capture the stress-strain evolution at smaller total strain steps. Material and hardening parameters are additional inputs into the networks to further inform the network and to study the network’s ability to predict different materials other than those used for training.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Utilizing CellBox to Describe Varied Dynamical Systems

CellBox is a hybrid modeling framework that integrates machine-learning approaches with explicit mathematical modeling to determine the behavior of dynamical systems, intended for determining the complex interactions of molecule and phenotype within a cellular environment using perturbation/response-based data. The original work utilized analysis of a melanoma cell line, SK-Mel-133, which we sought to expand to and evaluate effectiveness in describing other nonlinear systems both within and outside of biology. We evaluated with two models. One model is based upon the free-fall of an object under a velocity-dependent drag force; this produced inherent perturbation/response data. The other model is based upon a form of mass-action molecular kinetics; for this, we ran the simulation to steady state in each species for each perturbation and select the steady state as input for CellBox. We determined that CellBox, outside of its original use case, can still strongly predict even non-biological dynamical systems in the small-perturbation regime, with r = 0.99977 to 0.85123, p < 0.05 for freefall. However, CellBox cannot accurately predict behavior within large-perturbation regimes, p >> 0.05 for freefall. In addition, we performed a naïve comparison of CellBox network structure to known network structure in the mass-action model to assess accuracy.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Evaluating Technology Adoption Risks in Early-Stage Materials Research

Development of new technologies often begins with fundamental materials science research. Decisions at this stage can shape factors related to the eventual adoption readiness of the technology, such as process scalability or materials availability. Here we present the early-Stage Technology Evaluation for Adoption Risks (STEAR) framework as a method for qualitatively assessing metrics spanning four categories of adoption risks: value proposition, market acceptance, resource maturity, and license to operate. We conduct a case study applying STEAR to different methanol production processes at a range of technology readiness levels and demonstrate how the assessment identifies key challenges related to adoption readiness. Finally, we discuss efforts to expand the applicability and utility of STEAR, including focus group feedback and complementary quantitative analysis methods.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Climate-driven deoxygenation elevates fishing vulnerability for the ocean's widest ranging shark

Climate-driven expansions of ocean hypoxic zones are predicted to concentrate pelagic fish in oxygenated surface layers, but how expanding hypoxia and fisheries will interact to affect threatened pelagic sharks remains unknown. Here, analysis of satellite-tracked blue sharks and environmental modelling in the eastern tropical Atlantic oxygen minimum zone (OMZ) shows shark maximum dive depths decreased due to combined effects of decreasing dissolved oxygen (DO) at depth, high sea surface temperatures, and increased surface-layer net primary production. Multiple factors associated with climate-driven deoxygenation contributed to blue shark vertical habitat compression, potentially increasing their vulnerability to surface fisheries. Greater intensity of longline fishing effort occurred above the OMZ compared to adjacent waters. Higher shark catches were associated with strong DO gradients, suggesting potential aggregation along suitable DO gradients contributed to habitat compression and higher fishing-induced mortality. Fisheries controls to counteract deoxygenation effects on shark catches will be needed as oceans continue warming.

Vedor, Marisa↗
NASA NTRS1987

Thermal-stress-free fasteners for joining orthotropic materials

Hot structures fabricated from orthotropic materials are an attractive design option for future high speed vehicles. Joining subassemblies of these materials with standard cylindrical fasteners can lead to loose joints or highly stressed joints due to thermal stress. A method has been developed to eliminate thermal stresses and maintain a tight joint by shaping the fastener and mating hole. This method allows both materials (fastener and structure), with different coefficients of thermal expansion (CTEs) in each of the three material directions, to expand freely with temperature yet remain in contact. For the assumptions made in the analysis, the joint will remain snug, yet free of thermal stress at any temperature. Finite element analysis was used to verify several thermal-stress-free fasteners and to show that conical fasteners, which are thermal-stress-free for isotropic materials, can reduce thermal stresses for transversely isotropic materials compared to a cylindrical fastener. Equations for thermal-stress-free shapes are presented and typical fastener shapes are shown.

Blosser, M. L.↗
NASA NTRS1986

Shear deformation plate continua of large double layered space structures

A simple method is presented to model large rigid-jointed lattice structures as continuous elastic media with couple stresses using energy equivalence. In the analysis, the transition from the discrete system to the continuous media is achieved by expanding the displacements and the rotations of the nodal points in a Taylor series about a suitable chosen origin. The strain energy of the continuous media with couple stresses is then specialized to obtain shear deformation plate continua. Equivalent continua for single layered grids, double layered grids, and three-dimensional lattices are then obtained.

Hefzy, Mohamed Samir↗
NASA NTRS1987

Thermal-stress-free fasteners for joining orthotropic materials

Hot structures fabricated from orthotropic materials are an attractive design option for future high speed vehicles. Joining subassemblies of these materials with standard cylindrical fasteners can lead to loose joints or highly stressed joints due to thermal stress. A method has been developed to eliminate thermal stress and maintain a tight joint by shaping the fastener and mating hole. This method allows both materials (fastener and structure), with different coefficients of thermal expansion (CTE's) in each of the three principal material directions, to expand freely with temperature yet remain in contact. For the assumptions made in the analysis, the joint will remain snug, yet free of thermal stress at any temperature. Finite element analysis was used to verify several thermal-stress-free fasteners and to show that conical fasteners, which are thermal-stress-free for isotropic materials, can reduce thermal stresses for transversely isotropic materials compared to a cylindrical fastener. Equations for thermal-stress-free shapes are presented and typical fastener shapes are shown.

Blosser, Max L.↗
NASA NTRS2000

Autonomous, Full-Time Cloud Profiling at Arm Sites with Micro Pulse Lidar

Since the early 1990's technology advances permit ground based lidar to operate full time and profile all significant aerosol and cloud structure of the atmosphere up to the limit of signal attenuation. These systems are known as Micro Pulse Lidars (MPL), as referenced by Spinhirne (1993), and were first in operation at DOE Atmospheric Radiation Measurement (ARM) sites. The objective of the ARM program is to improve the predictability of climate change, particularly as it relates to cloud-climate feedback. The fundamental application of the MPL systems is towards the detection of all significant hydrometeor layers, to the limit of signal attenuation. The heating and cooling of the atmosphere are effected by the distribution and characteristics of clouds and aerosol concentration. Aerosol and cloud retrievals in several important areas can only be adequately obtained with active remote sensing by lidar. For cloud cover, the height and related emissivity of thin clouds and the distribution of base height for all clouds are basic parameters for the surface radiation budget, and lidar is essetial for accurate measurements. The ARM MPL observing network represents the first long-term, global lidar study known within the community. MPL systems are now operational at four ARM sites. A six year data set has been obtained at the original Oklahoma site, and there are several years of observations at tropical and artic sites. Observational results include cloud base height distributions and aerosol profiles. These expanding data sets offer a significant new resource for cloud, aerosol and atmospheric radiation analysis. The nature of the data sets, data processing algorithms, derived parameters and application results are presented.

Spinhirne, James D.↗
NASA NTRS2003

Bayesian Research at the NASA Ames Research Center,Computational Sciences Division

NASA Ames Research Center is one of NASA s oldest centers, having started out as part of the National Advisory Committee on Aeronautics, (NACA). The site, about 40 miles south of San Francisco, still houses many wind tunnels and other aviation related departments. In recent years, with the growing realization that space exploration is heavily dependent on computing and data analysis, its focus has turned more towards Information Technology. The Computational Sciences Division has expanded rapidly as a result. In this article, I will give a brief overview of some of the past and present projects with a Bayesian content. Much more than is described here goes on with the Division. The web pages at http://ic.arc. nasa.gov give more information on these, and the other Division projects.

Morris, Robin D.↗