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At least 685 records · Page 38

Probabilistic Predictions for Fastener Failure in the Sandia Mechanics Challenge Using the Discrete-Direct Uncertainty Quantification Approach

This paper documents the blind and post-blind analysis predictions for the 2023 Sandia Mechanics Challenge (SMC), which involved predicting the behavior of a threaded fastener joint structure subjected to shock loading. Utilizing repeat sets of fastener calibration data from various experimental configurations including tension, double shear, and joint tension, we developed a library of calibrated models which were propagated through the application model using the Discrete-Direct (DD) uncertainty quantification (UQ) approach. Although the initial blind predictions did not incorporate spare-sample processing to quantify fastener failure probabilities, the analyses yielded reasonable conclusions aligned with experimental results. In the post-blind analysis phase, we focused on enhancing the fidelity of the aluminum constitutive model and innovating the DD approach to obtain probabilistic predictions for fastener failure, particularly when quantities of interest (QoIs) approach their bounds. The improved aluminum model captures the behavior of the cantilever under shock loading more accurately, predicting both partial and complete cracks, although it tends to underpredict failure propagation. The enhanced DD approach facilitates probabilistic predictions that reflect the interdependent failure mechanisms of the fasteners and the cantilever, revealing that while certain fasteners are more likely to fail, the failure does not necessarily follow a progressive pattern. Overall, the post-blind analyses significantly improved the predictive capabilities of the model, providing valuable insights into the SMC application and establishing a robust foundation for informed engineering decisions. The methodology demonstrates a cost-effective and extensible approach suitable for a wide range of applications, highlighting the importance of uncertainty quantification to provide context for engineering decision making.

42 ENGINEERING↗

Omics-Lethal Human Viruses, MERS-CoV Experiment MFB002

The purpose of this experiment was to evaluate the human host response to wild-type Middle Eastern Respiratory Syndrome coronavirus (icMERS-CoV, EMC2012) and mutant virus infection. Sample data was obtained from primary human fibroblasts for mRNA, miRNA, proteomics, lipidomics, and metabolomics 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, lipidomics, and transcriptomics dataset downloads each have a direct relationship to a primary sample submission corresponding to a specific MERS-CoV virus infection.

59 BASIC BIOLOGICAL SCIENCES↗

Omics-Lethal Human Viruses, MERS-CoV Experiment MFB003

The purpose of this experiment was to evaluate the human host response to wild-type Middle Eastern Respiratory Syndrome coronavirus (icMERS-CoV, EMC2012) virus infection. Sample data was obtained from primary human fibroblasts for mRNA, miRNA, proteomics, lipidomics, and metabolomics 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, lipidomics, and transcriptomics dataset downloads each have a direct relationship to a primary sample submission corresponding to a specific MERS-CoV virus infection.

59 BASIC BIOLOGICAL SCIENCES↗

Omics-Lethal Human Viruses, MERS-CoV Experiment MHAE002

The purpose of this experiment was to evaluate the human host response to wild-type Middle Eastern Respiratory Syndrome coronavirus (icMERS-CoV, EMC2012) virus infection. Sample data was obtained from human microvascular endothelial cells for mRNA, proteomics, lipidomics, and metabolomics 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, lipidomics, and transcriptomics dataset downloads each have a direct relationship to a primary sample submission corresponding to a specific MERS-CoV virus infection.

59 BASIC BIOLOGICAL SCIENCES↗

Omics-Lethal Human Viruses, MERS-CoV Experiment MMVE002

The purpose of this experiment was to evaluate the human host response to wild-type Middle Eastern Respiratory Syndrome coronavirus (icMERS-CoV EMC2012) virus infection. Sample data was obtained from primary human fibroblast cells for mRNA, proteomics, lipidomics, and metabolomics 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, lipidomics, and transcriptomics dataset downloads each have a direct relationship to a primary sample submission corresponding to a specific MERS-CoV virus infection.

59 BASIC BIOLOGICAL SCIENCES↗

Omics-Lethal Human Viruses, MERS-CoV Experiment MMVE003

The purpose of this experiment was to evaluate the human host response to wild-type Middle Eastern Respiratory Syndrome coronavirus (icMERS-CoV EMC2012) virus infection. Sample data was obtained from human microvascular endothelial cells for mRNA, proteomics, lipidomics, and metabolomics 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, lipidomics, and transcriptomics dataset downloads each have a direct relationship to a primary sample submission corresponding to a specific MERS-CoV virus infection.

59 BASIC BIOLOGICAL SCIENCES↗

Excitation mechanisms in 1 mJ picosecond laser induced low pressure He plasma and the resulting spectral quality enhancement

We report in this paper the results of an experimental study on the spectral and dynamical characteristics of plasma emission induced by 1 mJ picoseconds (ps) Nd-YAG laser using spatially resolved imaging and time resolved measurement of the emission intensities of copper sample. This study has provided the experimental evidence concerning the dynamical characteristics of the excitation mechanisms in various stages of the plasma formation, which largely consolidate the basic scenarios of excitation processes commonly accepted so far. However, it is also clearly shown that the duration of the shock wave excitation process induced by ps laser pulses is much shorter than those observed in laser induced breakdown spectroscopy employing nanosecond laser at higher output energy. This allows the detection of atomic emission due exclusively to He assisted excitation in low pressure He plasma by proper gating of the detection time. Furthermore, the triplet excited state associated with He I 587.6 nm is shown to be the one most likely involved in the process responsible for the excellent spectral quality as evidenced by its application to spectrochemical analysis of a number of samples. The use of very low energy laser pulses also leads to minimal destructive effect marked by the resulted craters of merely about 10 μm diameter and only 10 nm deep. It is especially noteworthy that the excellent emission spectrum of deuterium detected from D-doped titanium sample is free of spectral interference from the undesirable ubiquitous water molecules without a precleaning procedure as applied previously and yielding an impressive detection limit of less than 10 μg/g. Finally, the result of this study also shows a promising application to depth profiling of impurity distribution in the sample investigated.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Omics-Lethal Human Viruses, Ebola Experiment EHUH003

The purpose of this experiment was to evaluate the human host response to Zaire Ebola wild-type virus infection. Samples were obtained from human hepatoma carcinoma cells (HUH-7) infected with Zaire Ebola ΔVP30-WT background for mRNA and miRNA transcriptome 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. Transcriptomics dataset downloads have a direct relationship to a primary sample submission corresponding to a specific Ebola virus infection.

59 BASIC BIOLOGICAL SCIENCES↗

Linking Home Plate and Algonquin Class Rocks through Microtextural Analysis: Evidence for Hydrovolcanism in the Inner Basin of Columbia Hills, Gusev Crater

Examining the his-tory of a rock as the summed history of its constituent grains is a proven and powerful strategy that has been used on Earth to maximize the information that can be gleaned from limited samples. Grain size, sorting, roundness, and texture can be observed at the handlens scale, and may reveal clues to transport regime (e.g. fluvial, glacial, eolian) and transport distance. Diagenetic minerals may be of a form and textural context to allow identification, and to point to dominant diagenetic processes (e.g. evaporitic concentration, intermittent dissolution, early vs. late diagenetic emplacement). Handlens scale features of volcaniclastic particles may be diagnostic of primary vs recycled (by surface processes) grains and may provide information about eruptive patterns and processes. When the study site is truly remote, such as Mars, and when there are severe limitations on sample return or sample analysis with other methods, examination at the hand lens scale becomes critical both for extracting a maximum of information, and for best utilizing finite analytical capabilities.

Mittlefehldt, David W.↗

Deformation Behavior and Microstructure Evolution of Powder Metallurgy Ti6Al4V Alloy During Hot Compression

In order to determine appropriate workability parameters for cross-wedge rolling products of powder metallurgy (PM) Ti6Al4V alloys, thermal compression experiments were carried out within the temperature range of 850-1050 °C, the strain rate range of 0.1-10 s{sup −1}, and with a height decrease of 60%. The compression deformation behavior was investigated. A strain-compensated constitutive model was established based on the flow stress curves corrected by the friction, which can predict the flow behaviors under the entirety of the experimental deformation conditions. Moreover, the processing map was developed, and stable and unstable deformation regimes were established. The microstructure analysis illustrated that globularization and dynamic recrystallization were the main deformation mechanisms. The porosity of the compressed samples was greatly reduced and influenced by the temperature and strain rate. Considering the material flow stress, hot processing map, microstructure and porosity, the appropriate hot deformation parameters for PM Ti6Al4V alloy preforms are suggested.

36 MATERIALS SCIENCE↗

Tank Waste Characterization: History, Challenges, and Success Stories

The preparation and chemical and radiochemical analysis of Hanford tank waste samples can be performed with standard laboratory equipment and instruments as relatively routine processes that are not particularly challenging. Rather, the main challenges of tank waste characterization are associated with radiological dose and sampling limitations. Accurate, representative and effective sampling techniques are difficult with the waste tanks because they were not designed for routine sampling. There are a finite number of sampling locations for each tank based on riser positioning, depth and the operational functionality of the sampling riser. For example, in one recently emptied SST, there was one riser that was found to have had concrete dumped down it, thereby eliminating that sampling port. Additionally, the waste within the tank; especially true for the saltcake and sludge, is not homogenous. The ability to adequately mix a million-gallon double shell tank (DST) is a concern for data reproducibility. Another real challenge that must be addressed for sampling single shell tanks, is how to dissolve the salt cake waste in a compromised (leaking) SST. These physical constraints mean that uncertainty in the representativeness of samples must be considered when applying analytical results to the bulk contents of the tank. The tank waste is highly radioactive and thus can only be handled initially by facilities that can receive samples into concrete-shielded hot cells with remote operation with an example provided in Figure 1. The shielding protects the worker from the radiological dose while mineral oil windows and remotely operated manipulators enables the samples to be handled. At Hanford, analytical laboratories with these hot cell capabilities are limited to the Pacific Northwest National Laboratory and the main Hanford operations support laboratory, 222-S Laboratory. Because of their highly radioactive nature, samples must be sufficiently diluted to facilitate their analysis outside of a shielded cell. In some cases, this means some accuracy must be compromised to complete the analysis beyond that normally encountered for non-radioactive material.

Waste Characterization, BBI, PHOENIX: Tank Farms: ↗

Molecular simulation of CO chemisorption on Co(0001) in presence of supercritical fluid solvent: A potential of mean force study

For several decades, heterogeneous catalytic processes have been improved through utilizing supercritical fluids (SCFs) as solvents. While numerous experimental studies have been established across a range of chemistries, such as oxidation, pyrolysis, amination, and Fischer-Tropsch synthesis, still there is little fundamental, molecular-level information regarding the role of the SCF on elementary heterogeneous catalytic steps. In this study, the influence of hexane solvent on the adsorption of carbon monoxide on Co(0001), as the first step in the reaction mechanism of many processes involving syngas conversion, is probed. Simulations are performed at various bulk hexane densities, ranging from ideal gas conditions (no SCF hexane) to various near- and super-critical hexane densities. For this purpose, both density functional theory and molecular dynamics simulations are employed to determine the adsorption energy and free energy change during CO chemisorption. Potential of mean force calculations, utilizing umbrella sampling and the weighted histogram analysis method, provide the first commentary on SCF solvent effects on the energetic aspects of the chemisorption process. Simulation results indicate an enhanced stability of CO adsorption on the catalyst surface in the presence of supercritical hexane within the reduced pressure range of 1.0–1.5 at a constant temperature of 523 K. Furthermore, it is shown that the maximum stability of CO in the adsorbed state as a function of supercritical hexane density at 523 K nearly coincides with the maximum isothermal compressibility of bulk hexane at this temperature.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Twin related domains in 3D microstructures of conventionally processed and grain boundary engineered materials

The concept of twin-limited microstructures has been explored in the literature as a crystallographically constrained grain boundary network connected via only coincident site lattice (CSL) boundaries. The advent of orientation imaging has made classification of twin-related domains (TRD) or any other orientation cluster experimentally accessible in 2D using EBSD. With the emergence of 3D orientation mapping, a comparison of TRDs in measured 3D microstructures is performed in this paper and compared against their 2D counterparts. The TRD analysis is performed on a conventionally processed (CP) and a grain boundary engineered (EM) high purity copper sample that have been subjected to successive anneal procedures to promote grain growth. Finally, the EM sample shows extremely large TRDs which begin to approach that of a twin-limited microstructure, while the TRDs in the CP sample remain relatively small and remote.

36 MATERIALS SCIENCE↗

Optical vibrational spectroscopic signatures of ammonium diuranate process parameters

Ammonium diuranate (ADU) is commonly encountered in the nuclear fuel cycle; however, previous investigations have shown that ADU is a complex mixture of distinct compounds. Moreover, production parameters are known to heavily influence the composition of the resulting ADU. Here, we examine four samples of ADU prepared at Oak Ridge National Laboratory (ORNL), and one sample of ADU made at Pacific Northwest National Laboratory (PNNL), with the goal of further characterizing and elucidating the effect of processing parameters such as stir rate, strike direction, and temperature on material composition. Process parameters during ADU precipitation at ORNL and PNNL were well documented, and we relate process variables to optical vibrational spectroscopic signatures observed using Raman and infrared (IR) spectroscopy. In addition, powder X-ray diffraction (PXRD) reveals differences in the solid-phase composition of ADU precipitates, but we find that the primary phase is similar to the uranyl oxyhydroxyhydrate mineral metaschoepite. Despite the significant phase contributions of a metaschoepite-like phase, spectroscopic evidence of both nitrate and ammonium are observed for all samples. To gain a more holistic understanding of spectroscopic features of process parameters in ADU, principal component analysis (PCA) is employed and results in observable signatures that relate to the stir rate used during synthesis. These results provide further information about the process-dependence of ADU precipitate composition.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Dielectric relaxation of NdMnO{sub 3} nanoparticles

Graphical abstract: (a) TEM image of particle distribution of NMO. (b) HRTEM image of a single NMO particle under 4,000,000× magnification. (c) SAED pattern of a single NMO nanoparticle. - Highlights: • NdMnO{sub 3} nanoparticles are synthesized by sol–gel process. • TEM micrograph shows a granular characteristic with an average particle size of ∼50 nm. • HRTEM is consistent with the spacing between the (2 0 0) planes of the orthorhombic NdMnO{sub 3}. • Band gap is found to be 4.4 eV. • Cole–Cole model has been used to explain the dielectric relaxation in the material. • The activation energy of the material is found to be ∼0.43 eV. - Abstract: The neodymium manganate (NdMnO{sub 3}) nanoparticles are synthesized by the sol–gel process. The phase formation and particle size of the sample are determined by X-ray diffraction analysis and transmission electron microscopy. The band gap of the material is obtained by UV–visible absorption spectroscopy using Tauc relation. Dielectric properties of the sample have been investigated in the frequency range from 42 Hz to 1 MHz and in the temperature range from 303 K to 573 K. The dielectric relaxation peaks are observed in the frequency dependent dielectric loss spectra. The Cole–Cole model is used to explain the dielectric relaxation mechanism of the material. The complex impedance plane plot confirms the existence of both the grain and grain-boundary contribution to the relaxation. The temperature dependence of both grain and grain-boundary resistances follow the Arrhenius law with the activation energy of 0.427 and 0.431 eV respectively. The frequency-dependent conductivity spectra follow the power law.

36 MATERIALS SCIENCE↗

Property-Graded Stainless Steel 316L by Selective Laser Melting: Characterization & Design

Abstract The purpose of this research work is to characterize and inform the design of (mechanical) property-graded bulk structures made from a single metallic alloy via a laser powder bed fusion (LPBF) process, with an end goal of creating repeatable/reproducible functionally-graded additively manufactured (FGAM) parts. This paper specifically investigates the manufacture of stainless steel (SS) 316L structures via a pulsed selective laser melting (SLM) process, and the underlying causes of property variations (within a functionally-acceptable range) through various material characterization techniques. For this, a design of experiments spanning the volumetric energy density (VED) based process parameter design space was utilized to investigate the range of functionally-acceptable physical/mechanical properties achievable in SS 316L. Five sample conditions (made via different process parameter combinations) were down-selected for in-depth microstructure analysis and mechanical/physical property characterization; these were suitably selected to impart a wide and controllable property range (209–318 HV hardness, 90–99.9% relative density, and 154–211 GPa modulus). It was observed that property variations resulted from combinations of porosity types/amounts, martensitic phase fractions, and grain sizes. Based on these findings, property-graded standard test specimens were designed and manufactured for further investigation—tensile specimens having a monotonic hardness change along its gauge length, four-point bending specimens with varying elastic moduli as a function of the distance from the neutral axis, and Moore’s rotating beam fatigue specimens with moduli variations based on the distance from the center. Altogether, this work lays the foundation for understanding and designing the local and global mechanical performance of FGAM bulk structures.

Engineering↗

Prediction of Thermal Conditions of DED With FEA Metal Additive Simulation

This paper presents the integration of wire-arc additive manufacturing (WAAM) using Gas Metal Arc Welding (GMAW) into a machine tool to create a retrofit hybrid computer numeric control (CNC) machine tool. GMAW, along with other direct energy deposition systems, has the capacity to deposit material faster than the excess thermal energy can dissipate. This results in the need to allow the part to cool between consecutive layers, which is the most time-consuming part of the additive process. Finite element analysis (FEA) was used in conjunction with monitored build plate surface temperatures during deposition samples to improve adequate dwell time prediction and to develop a cooling system. A deposition was completed where no dwell time was used and the build plate along with the machine table temperatures were monitored. A second deposition was completed where only one bead was deposited and the traverse speed was increased. The GMAW welder was mounted on a 3-axis CNC machine where two square deposition samples were completed. A FEA model was designed and verified using the monitored samples. The model will be used to determine improved depositions speeds and whether forced cooling would allow for an increased deposition rate without structural failure. It was determined the FEA software can be used to accurately model and predict the thermal response of WAAM AM components.

Heinrich, Lauren↗

Characterization and operation optimization of large aperture optical interferometers using binary pseudorandom array test standards

Recently, a technique for calibration of the Modulation Transfer Function (MTF) of a broad variety of metrology instrumentation has been established. The technique is based on test samples structured according to binary pseudorandom (BPR) one-dimensional sequences and two-dimensional arrays. The inherent power spectral density of BPR gratings and arrays, has a deterministic white-noise-like character that allows a direct determination of the MTF with a uniform sensitivity over the entire spatial frequency range and field-of-view of an instrument. As such, the BPR samples satisfy the characteristics of a test standard: Functionality, ease of specification and fabrication, reproducibility, and low sensitivity to manufacturing error. Here we discuss our recent developments working with support of the U.S. Department of Energy on industrialization of the technique. The goal is to develop affordable BPR test samples, application procedures, and data processing software, suitable for thorough characterization of optical interferometers and microscopes, as well as x-ray, electron (scanning and transmission), and atomic force microscopes. We report on the development of BPR array test samples optimized for advanced characterization (including the instrumental MTF and aberrations) and operation optimization of large aperture optical interferometers. We describe the sample fabrication process and tests to verify the compliance to desired surface topography. The data acquisition and analysis procedures for application of the technique for precise focusing of Fizeau interferometer are discussed in detail.

Yashchuk, VV↗