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At least 703 records · Page 39

Pulsed Infrared Thermography Nondestructive Imaging of SiC-SiC f Composite Cladding Architectures; Understanding the Performance of SiC-SiC f Composite Cladding Architectures with Cr Coating in Normal Operating and Accident Conditions in LWRs and Advanced Reactors

SiC-SiC f composites, consisting of silicon carbide fibers embedded in a silicon carbide matrix, are advanced materials with high thermal conductivity, temperature stability, and resistance to radiation damage. Traditional methods for quality control of fabricated SiC-SiC f composites involve nondestructive evaluation (NDE) with X-ray computed tomography (XCT). However, XCT imaging of typical SiC-SiC f structures for cladding applications can involve several hours. In this project, we investigate an alternative approach to NDE of SiC-SiC f composites that involves rapid (on the order of seconds) imaging with Pulsed infrared thermography (PIT). PIT images of a planar SiC-SiC f specimen show the structure of the surface monolith layer and internal SiC f structures. The capability of PIT imaging in visualizing SiC f structures is qualitatively confirmed by observing similarity in the PIT and X-ray transmission images of the same specimen. Computer vision analysis of defects in the PIT image of the monolith was performed with thresholding followed by topological structural analysis that computed geometric descriptors, including major/minor axes of fitted ellipses, area, perimeter, Feret diameter, circularity, roundness, and solidity.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Omics-Lethal Human Viruses, Ebola Experiment EH001

The purpose of this experiment was to evaluate the human patient peripheral blood mononuclear cells (PBMC) response to Zaire Ebola Makona virus infection during the 2013-2016 epidemic in West Africa. Samples were obtained from whole blood collections from human patients in 2015 who were naturally infected with Ebola virus during the West African Ebola virus epidemic and healthy individuals (6 month collections) where resulting blood serum was processed for proteome, metabolome, and lipidome expression analysis. Secondary host-associated viral dataset downloads contain one or more statistically processed (normalization data transformation) quantitative dataset collections resulting in qualitative expression analyses of primary host-pathogen experimental study designs. Leveraging unique high-resolution Omics capabilities for proteomics, metabolomics, and lipidomics dataset downloads each have a direct relationship to a primary sample submission corresponding to a specific Ebola virus infection.

59 BASIC BIOLOGICAL SCIENCES↗

Infrared studies of star formation

Infrared observations at wavelengths of a few microns to 1 mm are reviewed which pertain to the problem of star formation. The data considered include observations of large gas and dust clouds within which stars may be forming and detailed studies of individual objects within these clouds. Stages of star formation are outlined, the IR luminosity of forming stars is examined, and criteria for selecting interstellar regions for IR studies are discussed along with the importance of dust in the IR energy distributions of star-formation regions. Detailed results, including IR maps, are evaluated for the Orion Molecular Cloud 1 (OMC-1), W3, OMC-2, Mon R2, RCW 57, M17, CRL 2591, and NGC 7538. Some general properties of star-formation regions are summarized, and observational techniques for IR astronomy are described. It is noted that the discovery of possible pre-main-sequence (PMS) objects in the densest central portions of larger clouds supports the generally accepted premise of gravitational collapse as the driving mechanism for the star-formation process and that the observed properties of possible PMS objects agree qualitatively with the predictions of detailed models based on gravitational collapse.

Werner, M. W.↗

Fatigue criterion to system design, life and reliability: A primer

A method for estimating a component's design survivability by incorporating finite element analysis and probabilistic material properties was developed. The method evaluates design parameters through direct comparisons of component survivability expressed in terms of Weibull parameters. The analysis was applied to a rotating disk with mounting bolt holes. The highest probability of failure occurred at, or near, the maximum shear stress region of the bolt holes. Distribution of material failure as a function of Weibull slope affects the probability of survival. Where Weibull parameters are unknown for a rotating disk, it may be permissible to assume Weibull parameters, as well as the stress-life exponent, in order to determine the qualitative effect of disk speed on the probability of survival.

Zaretsky, Erwin V.↗

The many-body expansion for metals. I. The alkaline earth metals Be, Mg, and Ca

We examine the many-body expansion (MBE) for alkaline earth metal clusters, Be n , Mg n , Ca n ( n = 4, 5, 6), at the Møller–Plesset second order perturbation theory, coupled-cluster singles and doubles with perturbative triples, multi-reference perturbation theory, and multi-reference configuration interaction levels of theory. The magnitude of each term in the MBE is evaluated for several geometrical configurations. We find that the behavior of the MBE for these clusters depends strongly on the geometrical arrangement and, to a lesser extent, on the level of theory used. Another factor that affects the MBE is the in situ (ground or excited) electronic state of the individual atoms in the cluster. For most geometries, the three-body term is the largest, followed by a steady decrease in absolute energy for subsequent terms. Though these systems exhibit non-negligible multi-reference effects, there was little qualitative difference in the MBE when employing single vs multi-reference methods. Useful insights into the connectivity and stability of these clusters have been drawn from the respective potential energy surfaces and quasi-atomic orbitals for the various dimers, trimers, and tetramers. Through these analyses, we investigate the similarities and differences in the binding energies of different-sized clusters for these metals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Critical Evaluation of Potentiostatic Holds as Accelerated Predictors of Capacity Fade during Calendar Aging

Li-ion batteries will lose both capacity and power over time due to calendar aging caused by slow parasitic processes that consume Li + ions. Studying and mitigating these processes is traditionally an equally slow venture, which is especially taxing for the validation of new active materials and electrolyte additives. Here, we evaluate whether potentiostatic holds can be used to accelerate the diagnosis of Li + loss during calendar aging. The technique is based on the idea that, under the right conditions, the current measured as the cell voltage is held constant can be correlated with the instantaneous rate of side reactions. Thus, in principle, these measurements could capture the rate of capacity fade in real time . In practice, we show that this method is incapable of quantitatively forecasting calendar aging trends. Instead, our study demonstrates that potentiostatic holds can be applied for initial qualitative screening of systems that exhibit promising long-term stability, which can be useful to shrink the parameter space for calendar aging studies. By facilitating the identification of improved formulations, this approach can help accelerate innovation in the battery industry.

25 ENERGY STORAGE↗

Omics-Lethal Human Viruses, West Nile Experiment WCT001

The purpose of this experiment was to evaluate the host response to wild-type West Nile virus (WNV-NY99 382) and mutant WNV-E218A (WNV-NY99 382 E218A 2 nt) virus infection. Sample data was obtained from mouse cortex tissue for mRNA, miRNA, proteomics, lipidomics, and metabolomics expression analysis. Tissues from this experiment were matched to tissues from GSE77192 (WCB001), using 1/4 of the cortex and 1/2 of cerebellum from the same mice. Secondary host-associated viral dataset downloads contain one or more statistically processed (normalization data transformation) quantitative dataset collections resulting in qualitative expression analyses of primary host-pathogen experimental study designs. Leveraging unique high-resolution Omics capabilities for proteomics, metabolomics, lipidomics, and transcriptomics dataset downloads each have a direct relationship to a primary sample submission corresponding to a specific West Nile virus infection.

59 BASIC BIOLOGICAL SCIENCES↗

LANDSAT TM image data quality analysis for energy-related applications

This project represents a no-cost agreement between National Aeronautic Space Administration Goddard Space Flight Center (NASA GSFC) and the Pacific Northwest Laboratory (PNL). PNL is a Department of Energy (DOE) national laboratory operted by Battelle Memorial Institute at its Pacific Northwest Laboratories in Richland, Washington. The objective of this investigation is to evaluate LANDSAT's thematic mapper (TM) data quality and utility characteristics from an energy research and technological perspective. Of main interest is the extent to which repetitive TM data might support DOE efforts relating to siting, developing, and monitoring energy-related facilities, and to basic geoscientific research. The investigation utilizes existing staff and facility capabilities, and ongoing programmatic activities at PNL and other DOE national laboratories to cooperatively assess the potential usefulness of the improved experimental TM data. The investigation involves: (1) both LANDSAT 4 and 5 TM data, (2) qualitative and quantitative use consideration, and 3) NASA P (corrected) and A (uncorrected) CCT analysis for a variety of sites of DOE interest. Initial results were presented at the LANDSAT Investigator's Workshops and at specialized LANDSAT TM sessions at various conferences.

Wukelic, G. E.↗

How well does voice interaction work in space?

The methods and results of an evaluation of the Voice Navigator software package are discussed. The first phase or ground phase of the study consisted of creating, or training, computer voice files of specific commands. This consisted of repeating each of six commands eight times. The files were then tested for recognition accuracy by the software aboard the microgravity aircraft. During the second phase, both voice training and testing were performed in microgravity. Inflight training was done due to problems encountered in phase one which were believed to be caused by ambient noise levels. Both quantitative and qualitative data were collected. Only one of the commands was found to offer consistently high recognition rates across subjects during the second phase.

Morris, Randy B.↗

Application of Analytical Hierarchy Process for Narrowing Down Nep Candidate Reactor Designs

Nuclear electric propulsion (NEP)-powered vehicles have been contemplated for human Mars missions. The nuclear power system contemplates using a high temperature light-weight nuclear reactor for the production of electrical power in the range of 2-5 MWe with a 3-10 year service life. A myriad of technology options exist for achieving these mission objectives. The analytic hierarchy process (AHP), a multi-attribute decision method, is being used to narrow down the candidate designs. The AHP is a structured decision process that fuses model-supplied quantitative data with subjective assessments to facilitate decisions that involve multiple competing criteria. Proven end-to-end nuclear design and systems analysis tools will be used to provide quantitative performance data such as end-to-end system reliability, system robustness to recover from off-normal conditions, system specific weight (α in kg/kWe), and the ability to meet the service life-time and power level requirements. Three high assay low enriched uranium (HALEU) reactor concepts, namely, gas-, heat pipe- and pumped liquid-cooled nuclear cores coupled to a He/Xe gas or supercritical CO2- Brayton power conversion system are being modeled using the AHP to understand the trade-offs associated with these design combinations. In addition to the reactor and power conversion options, there are a myriad of additional components and subsystems – e.g., radiators, heat exchangers, and recuperators – that also figure into the evaluation process. The choice of the right overall system is a multidimensional problem that has to include not only quantitative data, but also the so called “external factors”, examples of which include the component and subsystem Technology Readiness Levels (TRLs), the associated Advancement Degrees of Difficulty (AD2), the cost and schedule required to achieve a technical maturity consistent with mission infusion, alignment with the priorities of NASA’s Space Nuclear Propulsion program, and alignment with other ongoing government and commercial investments in micro reactors. Focused expert elicitations form the basis for qualitative data set. As a final step, decision-makers individually express their opinions regarding the relative importance of the criteria and preferences among the alternatives through pairwise comparisons. The paper will describe the AHP approach, progress to-date applying it to the NEP human Mars mission problem, and preliminary results. Use of AHP provides sufficient flexibility for incorporating industry input at different stages as the technologies evolve through additional research and development. It is expected that the decision process will be ongoing and expanded to examine additional options and technology choices, culminating in a defensible set of candidate reactor concepts that will form the basis for developing a multi-year NEP technology maturation strategy. .

Dasari V Rao↗

Large-scale application of free energy perturbation calculations for antibody design

Abstract Alchemical free energy perturbation (FEP) is a rigorous and powerful technique to calculate the free energy difference between distinct chemical systems. Here we report our implementation of automated large-scale FEP calculations, using the Amber software package, to facilitate antibody design and evaluation. In combination with Hamiltonian replica exchange, our FEP simulations aim to predict the effect of mutations on both the binding affinity and the structural stability. Importantly, we incorporate multiple strategies to faithfully estimate the statistical uncertainties in the FEP results. As a case study, we apply our protocols to systematically evaluate variants of the m396 antibody for their conformational stability and their binding affinity to the spike proteins of SARS-CoV-1 and SARS-CoV-2. By properly adjusting relevant parameters, the particle collapse problems in the FEP simulations are avoided. Furthermore, large statistical errors in a small fraction of the FEP calculations are effectively reduced by extending the sampling, such that acceptable statistical uncertainties are achieved for the vast majority of the cases with a modest total computational cost. Finally, our predicted conformational stability for the m396 variants is qualitatively consistent with the experimentally measured melting temperatures. Our work thus demonstrates the applicability of FEP in computational antibody design.

59 BASIC BIOLOGICAL SCIENCES↗

Characterization and biofouling potential analysis of two cyanobacterial strains isolated from Cape Verde and Morocco

Abstract Cyanobacteria are new sources of value-added compounds but also ubiquitous and harmful microfoulers on marine biofouling. In this work, the isolation and identification of two cyanobacterial strains isolated from Cape Verde and Morocco, as well as their biofilm-forming ability on glass and Perspex under controlled hydrodynamic conditions, were performed. Phylogenetic analysis revealed that cyanobacterial strains isolated belong to Leptothoe and Jaaginema genera (Leptothoe sp. LEGE 181153 and Jaaginema sp. LEGE 191154). From quantitative and qualitative data of wet weight, chlorophyll a content and biofilm thickness obtained by optical coherence tomography, no significant differences were found in biofilms developed by the same cyanobacterial strain on different surfaces (glass and Perspex). However, the biofilm-forming potential of Leptothoe sp. LEGE 181153 proved to be higher compared with Jaaginema sp. LEGE 191154, particularly at the maturation stage of biofilm development. Three-dimensional biofilm images obtained from confocal laser scanning microscopy showed different patterns between both cyanobacterial strains and also among the two surfaces. Because standard methodologies to evaluate cyanobacterial biofilm formation, as well as two different optical imaging techniques, were used, this work also highlights the possibility of integrating different techniques to evaluate a complex phenomenon like cyanobacterial biofilm development.

Romeu, Maria J. (ORCID:0000000210945425)↗

Visual Style Elements in Human–System Interface Design for Nuclear Power Operations: Does Style Affect Performance and Preference?

As the world increasingly adopts renewable and sustainable energy systems, transitionary solutions include nuclear power, which currently provides 20% of the United States’ electricity and is the largest single source of carbon-free electricity generation. Advanced reactors are a critical component of a carbon-free mixed energy portfolio that require careful design of first-of-a-kind control rooms. The application of Human Factors Engineering (HFE) is essential for scientific and iterative testing of novel human–system interface (HSI) concepts to ensure effective, efficient, and safe plant operations. Microworlds are simulators that use simplified physics models and control systems to distill nuclear power operations into essential functions. HFE scientists used the Rancor Microworld Simulator to obtain preference and performance metrics for novel and traditional static HSI design styles. Participants comprised advanced reactor company employees and nuclear industry consultants. A mixture of quantitative and qualitative data was captured. There was a preference for the basic graphical style that included high contrast and traditional color scheme elements. No single HSI design outperformed the others, and the participants did not perform better using their preferred HSI style. We report this experiment is the first in a series of HFE testing for HSIs in advanced reactor control room development. Clear user preferences emerged for elements within static displays. The cutting-edge neumorphic style was the least preferred. Future directions include tests of dynamic displays. HFE is used in evaluating and designing HSI devices that will improve the efficiency and safety of advanced nuclear power operations.

99 GENERAL AND MISCELLANEOUS↗

Determination of Thermal Expansion, Defect Formation Energy, and Defect-Induced Strain of α-U Via ab Initio Molecular Dynamics

Uranium (U) is often alloyed with molybdenum (Mo) or zirconium (Zr) in order to stabilize its high-temperature body-centered cubic phase for use in nuclear reactors. However, in all metallic fuel forms, the α phase of U remains in some fraction. This phase decomposition due to temperature or compositional variance can play an outsized role on fuel performance and microstructural evolution. Relatively little is known about fundamental point defect properties in α -U at non-zero temperatures, from either computational or experimental studies. This work performs the first thorough evaluation of the α phase of U via ab initio molecular dynamics (AIMD). A number of thermophysical properties are calculated as a function of temperature, including equilibrium lattice parameters, thermal expansion, and heat capacity. These results indicate a two-region behavior, with the transition at 400 K. The thermal expansion/contraction in the a / b direction occurs rapidly from 100 up to 400 K, after which a more linear and gradual change in the lattice constant takes place. The volumetric expansion matches experiments quantitatively, but the individual lattice constant expansion only matches experiments qualitatively. Point defect formation energies and induced lattice strains are also determined as a function of temperature, providing insight on defect populations and the fundamentals of irradiation growth in α -U. Interstitials induce significantly more strain than vacancies, and the nature of that strain is highly dependent on the individual lattice directions. The direction of point defect-induced lattice strain is contrary to the irradiation growth behavior of α -U. This work shows that isolated point defects cannot be the primary driving force responsible for the significant irradiation-induced growth of α -U observed experimentally.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

The damage equivalence of electrons, protons, alphas and gamma rays in rad-hard MOS devices

This paper reports on a study of damage equivalence in rad-hard MOS devices with 100,000 rads (SiO2) capability. Damage sensitivities for electrons of 1, 2, 3, 5, and 7 MeV, protons of 1, 3, 7, 22, and 40 MeV, 3.4-MeV alphas, and Co-60 gammas were measured and compared. Results indicated that qualitatively the same charge recombination effects occurred in hard oxide devices for doses of 100,000 rads (SiO2) as in soft oxide parts for doses of 1 to 4 krads (SiO2). Consequently, damage equivalency or non-equivalency depended on radiation type and energy. However, recovery effects, both during and after irradiation, controlled relative damage sensitivity and its dependency on total dose, dose rate, supply bias, gate bias, radiation type, and energy. Correction factors can be derived from these data or from similar tests of other hard oxide type, so as to properly evaluate the combined effects of the total space environment.

Stassinopoulos, E. G.↗

Satellite radar for monitoring forest resources

An evaluation is made of the computer analysis results of a study which used Seasat satellite radar data obtained in 1978 and Shuttle Imaging Radar-B data obtained in 1984. The change-detection procedures employed demonstrate that deforestation and reforestation activities can be effectively monitored on the basis of radar data gathered at satellite altitudes. The computer-processing techniques applied to the data encompassed (1) overlay display, (2) ratios, (3) differences, (4) principal-component analysis, and (5) classification; of these, overlay display is noted to quickly and easily yield a qualitative display of the multidate data.

Hoffer, Roger M.↗

A multi-criteria CCUS screening evaluation of the Gulf of Mexico, USA

Continued research into reservoir characterization along with offshore carbon dioxide (CO 2 ) transportation and infrastructure assets is needed to facilitate development of safe and successful carbon capture, utilization, and storage (CCUS) projects. This paper outlines a multi-criteria evaluation methodology that incorporates disparate sets of quantitative, spatially variable data into a decision-making framework for screening the Gulf of Mexico (GOM) outer continental shelf (OCS) for potentially viable CO 2 storage and enhanced oil recovery (EOR) sites. Criteria categories include favorable geologic characteristics, logistics, and potential risks. Data compiled for 14 criteria from several publicly available geographic information system (GIS) layers was aggregated over 2559 spatially balanced points across the study area using the National Energy Technology Laboratory (NETL)-developed Cumulative Spatial Impact Layers™ (CSIL) GIS tool. Criteria are weighted by qualitative expert opinion relative to their perceived importance to given scenarios— the output of combined criteria values and weights enables regional CO 2 storage suitability differentiation. The methodology considers both technical and non-technical factors impacting CCUS decision-making. The flexible methodology enables a systematic approach to regional ranking at high spatial resolution over a large study domain. Additionally, the framework enables high-grading of priority sites that warrant further characterization and follow-on analysis. Areas along the Louisiana coast and Mississippi River Delta consistently rank high for all scenarios largely a result of the favorable geology with the potential for stacked storage, as well as the density of existing pipelines and platforms, and proximity to several onshore CO 2 sources. High-graded regions for the CO 2 EOR-related scenarios are typically located further offshore towards the middle and edge of the OCS compared to higher priority regions for the geologic storage scenarios which fall closer to the Louisiana coastline.

54 ENVIRONMENTAL SCIENCES↗

Tracer evolution in winds generated by a global spectral mechanistic model

The lower boundary of a spectral mechanistic model is prescribed with 100 hPa geopotentials, and its performance during a November 1989 through March 1990 integration is compared with National Meteorological Center observations. Although the stratopause temperatures quickly become biased near the pole in both hemispheres, the model develops a residual mean circulation which shows significant descent over the winter pole and ascent in the tropics and over the summer pole at pressures less than 10 hPa. The daily correspondence of observed to modeled features in the upper stratosphere and mesosphere degrades after one month. However, the long-term variability qualitatively follows the observations. The results of off-line transport experiments are also described. A passive tracer is instantaneously injected into the flow over the poles and evolves in a manner which is consistent with the residual mean circulation. It demonstrates a significant cross-equatorial flux in the mesosphere near solstice, and air which originates in the southern hemisphere polar mesosphere can be found descending deep into the nothern polar stratosphere at the end of the integration. Nitrous oxide is also transported, and its ability to act as a dynamical tracer is evaluated by comparison to the evolution of the passive tracer.

Nielsen, J. E.↗