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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 631 records · Page 35

Challenges in simulating ground interacting nuclear explosions

This paper summarizes recent above-ground nuclear explosion simulations as part of a broader effort to better characterize conditions within a fireball that may influence the chemical evolution of bomb materials and other materials entrained from the local explosion environment. A critical component of this work is validation against historic footage of atmospheric testing, requiring that we understand how the frequency-dependent sensitivity of the utilized film footage influences data captured in such images. We focus first on the early physics of a nuclear explosion in the atmosphere before discussing some of the technical challenges we seek to capture in late-time models that include more complex emplacement conditions and subsurface features. We discuss required physics packages (compressible hydrodynamics, radiation transport, as well as necessary ancillary tables such as equations of state (EOS) and opacities). Additionally, we note reasonable “shortcuts” one may make and their limitations, e.g., using ideal gas EOS, replacing spectrally resolved radiation with spectrally averaged radiation, and exchanging deterministic transport with diffusion. We then discuss an approach to achieving an equilibrated initial stress state for problems where buoyancy and subsurface lithostatic stress are important. Our methodology is presented in the context of LLNL’s ALE3D multiphysics code but may readily be implemented in other codes. In this paper, we start with a description of the challenges of NUDET simulations, followed by a presentation of the simulated intensity (flux) as it would appear on an analysis of the Dixie test. We then progressively introduce additional complexity in subsequent sections (near-surface burst and gravity initialization) before concluding.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Improving Trustworthiness of Data-Driven Power Grid Contingency Analysis With Bayesian Residual Graph Neural Networks

The evolving energy landscape requires novel tools to efficiently perform contingency analysis and reliability assessment of power grids, potentially in real-time. The high computational cost of traditional power flow solvers limits their applicability in practice. Machine learning (ML) surrogates such as deep neural networks (NNs) accelerate power flow solvers computations, enabling high-order contingency analysis and real-time decision-making by learning highly nonlinear functions and integrating grid topology via graph architectures. However, (graph) NNs lack predictive power away from training data and do not provide predictive confidence estimates. Here, we present a Bayesian residual graph NN that integrates knowledge from low-fidelity data via residual training and embeds granular quantification of uncertainties, improving trustworthiness critical for high-consequence decision-making. Applying Bayesian concepts to NNs is challenging due to the high-dimensionality of both the parameter space, complicating derivation of a meaningful prior, and the output space in large grid systems, requiring enhanced techniques to assess the predicted high-dimensional uncertainties. Our contributions include: (1) Deriving a prior for fully connected and graph NNs that leverages low-fidelity data to guide mean predictions and appropriately control prior predictive uncertainty. (2) Integrating this prior within an ensembling with anchoring scheme for efficient approximate posterior inference. (3) Deriving enhanced metrics to assess accuracy of both the mean and uncertainty predictions in high dimensions, appropriately accounting for correlations propagated through graph layers. The resulting Bayesian residual graph NN is tested on a contingency analysis task for 14-bus and 118-bus grids.

24 - POWER TRANSMISSION AND DISTRIBUTION↗

Assessment and Non-Destructive Evaluation of the Influence of Residual Solvent on a Two-Part Epoxy-Based Adhesive Using Ultrasonics

Polymers are increasingly being used in higher demanding applications due to their ability to tailor the properties of structures while allowing for a weight and cost reduction. Solvents play an important role in the manufacture of polymeric structures since they allow for a reduction in the polymer’s viscosity or assist with the dispersion of fillers into the polymer matrix. However, the incorrect removal of the solvent affects both the physical and chemical properties of polymeric materials. The presence of residual solvent can also negatively affect the curing kinetics and the final quality of polymers. Destructive testing is mainly performed to characterize the properties of these materials. However, this type of testing involves using lab-type equipment that cannot be taken in-field to perform in situ testing and requires a specific sample preparation. Here, a method is presented to non-destructively evaluate the curing process and final viscoelastic properties of polymeric materials using ultrasonics. In this study, changes in longitudinal sound speed were detected during the curing of an aerospace epoxy adhesive as a result of variations in polymer chemistry. To simulate the presence of residual solvent, samples containing different weight percentages of isopropyl alcohol were manufactured and tested using ultrasonics. Thermogravimetric analysis was used to show changes in the decomposition of the adhesive due to the presence of IPA within the polymer structure. Adding 2, 4, and 6 wt.% of IPA decreased the adhesive’s lap shear strength by 40, 58, and 71%, respectively. Ultrasonics were used to show how the solvent influenced the curing process and the final sound speed of the adhesive. Young’s modulus and Poisson’s ratio were determined using both the longitudinal and shear sound speeds of the adhesive. Using ultrasonics has the potential to non-invasively characterize the quality of polymers in both an in-field and manufacturing settings, ensuring their reliability during use in demanding applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Facile Tensile Testing Platform for In Situ Transmission Electron Microscopy of Nanomaterials

In situ tensile testing using transmission electron microscopy (TEM) is a powerful technique to probe structure-property relationships of materials at the atomic scale. In this work, a facile tensile testing platform for in situ characterization of materials inside a transmission electron microscope is demonstrated. The platform consists of: 1) a commercially available, flexible, electron-transparent substrate (e.g., TEM grid) integrated with a conventional tensile testing holder, and 2) a finite element simulation providing quantification of specimen-applied strain. The flexible substrate (carbon support film of the TEM grid) mitigates strain concentrations usually found in free-standing films and enables in situ straining experiments to be performed on materials that cannot undergo localized thinning or focused ion beam lift-out. The finite element simulation enables direct correlation of holder displacement with sample strain, providing upper and lower bounds of expected strain across the substrate. The tensile testing platform is validated for three disparate material systems: sputtered gold-palladium, few-layer transferred tungsten disulfide, and electrodeposited lithium, by measuring lattice strain from experimentally recorded electron diffraction data. The results show good agreement between experiment and simulation, providing confidence in the ability to transfer strain from holder to sample and relate TEM crystal structural observations with material mechanical properties.

2D materials↗

Failure analysis of field-failed bypass diodes

Defective bypass diodes are often found as the largest factor leading to power loss in solar modules. Here, we report on failure mechanisms by investigating shunted bypass diodes from a rooftop installation, using a combination of multiple characterizations including current–voltage analysis, thermal-runaway testing, X-ray computed tomography, lock-in thermography, focused ion-beam cross-section imaging, chemical decapsulation, optical microscopy, and scanning electron microscopy with energy-dispersive X-ray spectroscopy. Differing from static discharge typically associated with lightning strikes on modules, we found diode failure by the mechanism of thermal damage under continuous, long-term overstress in forward bias. Our conclusion is based on evidence of energy dissipated—the small to medium extent of melt-through on the Schottky diode face. The diode failure shows distortions or roughening of the Schottky diode metal-semiconductor interface with the die attach, and some failures are accompanied by die-attach solder melting. We propose that nonuniform irradiance on the modules caused diode shunting due to extended periods of heat dissipation in the modules, because modules in this string were placed in two different orientations. In contrast, a second parallel module string of the same module type on the same rooftop with a unique plane of array did not show any diode failures. The thermal damage failure of melt-through was caused by the long-term current generated by overstressing of diodes that may have had crystalline and impurity defects.

14 SOLAR ENERGY↗

Product Consistency Test Results for the High-Chromium Matrix Glasses

This report provides chemical analysis of a series of Product Consistency Test (PCT) leachates from simulated nuclear waste glasses. The resulting data will be used in the development of improved property/composition models. For some of the glass leachates, minor scatter among the triplicate values of some analytes was observed. For other leachates, there were more significant differences among the triplicate values. A review of the PCT data noted that there was little difference between the normalized values on the basis of targeted or measured glass composition. Several of the study glasses, both quenched and canister centerline cooled, have NC i values that are greater than the Hanford Tank Waste Treatment and Immobilization Plant immobilized low-activity waste constraint of 4 g/L for B, Na, and Si. For many of the study glasses, heat treatment had only a marginal impact on the NC i values. The samples of the Environmental Assessment (EA) reference glass included with each PCT set had inconsistent NC i values, although some degree of variation in NC i values for the EA glass is typical. The release rates for boron and sodium were highly correlated for the study glasses, while for the other analytes, less correlation was observed.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Concealed Cathode Degradation in Lithium-Ion Cells with a Ni-Rich Oxide

Difficulties with sourcing cobalt and the interest in increasing cell energy have motivated the development of Ni-rich oxide materials for lithium-ion battery cathodes. Despite the intense research on the topic, there is limited information available on the long-term performance of novel cathode formulations. Here, we evaluate the stability of LiNi 0.9 Mn 0.05 Co 0.05 O 2 in full-cells tested for over five months, assessing how cycling, voltage and electrolyte additives impact cathode aging. We use differential voltage analysis to extract insights about the cathode from the full-cell data and identify the isolation of cathode particles in the delithiated (charged) state as a relevant mode of aging. Importantly, this particular mechanism of cathode aging does not cause immediate cell capacity fade, causing the simple analysis of cell capacity retention to overestimate the cathode stability under the investigated conditions. So, our observations serve as cautionary tale indicating that careful analysis of data from extended testing may be required for assessing the performance of Ni-rich cathodes and for evaluating how these materials are affected by electrolyte additives.

25 ENERGY STORAGE↗

Analysis of Deformation and Fracture Mechanisms in the Harvested Low-Dose Baffle Former Bolt via Advanced Mechanical Tests

This report details the production of tensile specimens from in-service irradiated baffle former bolts (BFBs) and presents the results of a pilot in-situ SEM/EBSD test conducted at Oak Ridge National Laboratory’s Low Activation Materials Development and Analysis (LAMDA) facility. The SEM/EDS results confirmed that the material is AISI 316L steel, not AISI 347, and that no Nb addition was detected in several analyzed locations. EBSD analysis of the microstructure revealed in-grain misorientation gradients indicative of cold work, likely caused by material processing, and no retained ferrite was identified. During straining, dislocation channel formation was the primary deformation mechanism, with twinning also observed in favorably oriented grains at local strains as small as ~1.5%. No strain-induced phase instability was observed, likely due to the fact that the Ni and Cr content reached the upper limits for the 316L steel specification. Multiple microfracture events were observed during the tensile test. Fine strain-induced pores formed at the channel-grain boundary intersection points, while coarser microcracks were associated with non-metallic inclusions. Data analysis is ongoing, and additional tests are planned in the near future to provide more statistics and details.

36 MATERIALS SCIENCE↗

Increasing the Pressure‐Free Stripping Capacity of the Lithium Metal Anode in Solid‐State‐Batteries by Carbon Nanotubes

Abstract Lithium metal is the key anode material for solid‐state‐batteries as its successful implementation will drastically increase their energy and power densities. However, anode contact loss during stripping leads to dendrites upon plating and subsequent cell failure. Design strategies to mitigate these issues are crucial to enable the use of lithium metal anodes. This paper reports the dissolution kinetics of composite anodes made of lithium metal and carbon nanotubes (CNTs) with a garnet‐type solid electrolyte (SE). In addition to an enhancement of the effective diffusion within the anode, its dissolution is fundamentally changed from being 2D to 3D. By maintaining contact with the SE, the CNTs facilitate lithium transport to the interface, which yields more than 20 mAh cm −2 discharge capacity at 100 µ A cm −2 without the application of external stack pressure ( > 1 MPa). Conclusions drawn from electrochemical data on the anode microstructure are validated using cryo‐focused‐ion‐beam scanning electron microscopy and correlated with the mechanical properties. Micro‐indentation, acoustic analysis, and stress–strain testing show that mechanical properties of the anode, like yield strength and hardness, are adjustable. Overall, it is shown that the mechanical and electrochemical properties of Li–CNT composite electrodes can be tailored to suit the requirements of a practical cell.

Fuchs, Till↗

Novel Co 5 Cluster Based Triazole Bridged Cobalt-Fluorophosphate: Synthesis, Structure, Magnetic and Heterogeneous Catalytic Epoxidation Studies

A novel triazole bridged cobalt fluorophosphate coordination polymer with the formula {Co 5 (1,2,4-triazole) 2 (OH) 2 (PO 3 F) 4 } n has been synthesized. Single crystal X-ray studies reveal that the compound comprises of Co 5 clusters which ultimately build the whole framework, here all cobalt centers are in octahedral geometry established from continuous shape analysis. All the cobalt centers are in Co(II) oxidation state and the results are supported by the bond valence sum (BVS) calculation. The sample has been characterized by single crystal X-ray, powder X-ray, FTIR and TGA analysis. The compound was tested for olefin catalysis performance and magnetism. Magnetization measurements reveal overall antiferromagnetic interactions among the Co(II) ions. The compound is very active in the catalytic transformation of olefins to their corresponding epoxides. In conclusion, catalytic epoxidation studies reveal that cyclohexene and styrene can be converted up to 97% with almost 65% selectivity of products with higher TON numbers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Position-specific carbon isotope analysis of serine by gas chromatography/Orbitrap mass spectrometry, and an application to plant metabolism

Position-specific 13 C/ 12 C ratios within amino acids remain largely unexplored in environmental samples due to methodological limitations. We hypothesized that natural-abundance isotope patterns in serine may serve as a proxy for plant metabolic fluxes including photorespiration. Here we describe an Orbitrap method optimized for the position-specific carbon isotope analysis of serine to test our hypothesis and discuss the generalizability of this method to other amino acids. Position-specific carbon isotope ratios of serine were measured using a Thermo Scientific™ Q Exactive™ GC Orbitrap™. Amino acids were hydrolyzed from Arabidopsis biomass, purified from potential matrix interferences, and derivatized alongside standards. Derivatized serine (N,O-bis(trifluoroacetyl)methyl ester) was isolated using gas chromatography, trapped in a reservoir, and purged into the electron ionization source over tens of minutes, producing fragment ions containing different combinations of atoms from the serine-derivative molecule. The 13 C/ 12 C ratios of fragments with monoisotopic masses of 110.0217, 138.0166, and 165.0037 Da were monitored in the mass analyzer and used to calculate position-specific δ 13 C values relative to a working standard. This methodology constrains position-specific δ 13 C values for nanomole amounts of serine isolated from chemically complex mixtures. The δ 13 C values of fragment ions of serine were characterized with ≤1‰ precisions, leading to propagated standard errors of 0.7–5‰ for each carbon position. Position-specific δ 13 C values differed by up to ca 28 ± 5‰ between serine molecules hydrolyzed from plants grown under contrasting pCO 2 , selected to promote different fluxes through photosynthesis and photorespiration. The method was validated using pure serine standards characterized offline. Here this study presents the first Orbitrap-based measurements of natural-abundance, position-specific carbon isotope variation in an amino acid isolated from a biological matrix. We present a method for the precise characterization of isotope ratios in serine and propose applications probing metabolism in plants. We discuss the potential for extending these approaches to other amino acids, paving the way for novel applications.

59 BASIC BIOLOGICAL SCIENCES↗

Sensitization and Mechanical Response of Cu‐Containing Steel Rods

The iron and steel manufacturing sector significantly adds to global greenhouse gas emissions, caused primarily by the carbothermic reduction of iron ore. Recycling scrap steel offers an effective decarbonization strategy but introduces impurities like copper (Cu) that can negatively impact mechanical properties. This study investigates the effects of Cu content and heat treatment on the mechanical performance and sensitization of steel wire rods for tire manufacturing. Steel rods with 0.04 and 0.21 wt% Cu are heated to 1050 or 1200 °C, then air quenched, or furnace cooled. Tensile testing coupled with microscopic analysis is used to evaluate mechanical properties and assess the sensitization effects. Higher Cu content leads to larger sensitized zones with increased Cu precipitation along grain boundaries. Ductility and toughness, crucial for wire drawability, are found to be reduced, despite higher ultimate strength. Slower furnace cooling is seen to result in smaller sensitized zones compared to air quenching, suggesting a pivotal role of cooling rate in sensitization control. The findings provide insights into optimize heat treatment parameters and Cu content limits, balancing mechanical performance and maintaining drawability for enhanced scrap steel recycling in tire production.

copper↗

High-Throughput Statistical Interrogation of Mechanical Properties with Build Plate Location and Powder Reuse in AlSi10Mg

Abstract Additive manufacturing (AM) allows agile, rapid manufacturing of geometrically complex components that would otherwise be impossible through traditional manufacturing methods. With this maturing manufacturing technology comes the need to adopt testing methods that are commensurate with the speed of additive manufacturing and take advantage of its geometric flexibility. High-throughput tensile testing (HTT) is a technique that allows a large number of tensile bars to be tested in a short amount of time. In the present study, HTT is used to evaluate AM AlSi10Mg produced using powder bed fusion with a Renishaw AM250 machine. Three parameters were varied in this study: (1) powder reuse history, (2) location on the build plate, and (3) size of the tensile specimen. For all parameter combinations, at least 22 specimens were tested; in several cases, over 40 were tested. This large dataset, consisting of over 500 tensile tests, permits Weibull statistical analysis and provides sufficient fidelity to isolate subtle trends that would have likely been missed in smaller, traditional datasets. The observed trends are rationalized in terms of the role of porosity and surface crust on mechanical response.

Carroll, Jay D. (ORCID:0000000258184709)↗

Microstructurally driven self-sharpening mechanism in beaver incisor enamel facilitates their capacity to fell trees

Beavers ( Castor ) stand out among mammals for their unique capacity to fell trees using their large, ever-growing incisors. This routine consumption of resistant fodder induces prodigious wear in the lower incisors, despite this blunting effect the incisors maintain a remarkably sharp cutting edge. Notably, the enamel edges of their incisors show a highly complex two-part microstructure of which the biomechanical import is unknown. Here, using fracture analysis, nanoindentation, and wear testing on North American beaver ( C. canadensis ) incisors we test the microstructure's possible contribution to maintaining incisal sharpness. Although comparable in hardness, the inner enamel preferentially fails and readily wears at 2.5 times the rate of the outer enamel. The outer microstructure redirects all fractures in parallel, decreasing fracture coalescence. Conversely, the inner microstructure facilitates crack coalescence increasing the wear rate by isolating layers of enamel prisms that readily fragment. Together these two architectures form a microstructurally driven self-sharpening mechanism contained entirely within the thin enamel shell. Here, our results demonstrate that enamel microstructures exposed at the occlusal surface can markedly influence both enamel crest shape and surface texture in wearing dentitions. The methods introduced here open the door to exploring the biomechanical functionality and evolution of enamel microstructures throughout Mammalia.

59 BASIC BIOLOGICAL SCIENCES↗

Build Orientation Dependent Microstructure in Polymer Laser Sintering: Relationship to Part Performance and Evolution with Aging

Laser sintering (LS) is widely used to produce functional polymeric parts; however, the resulting parts are often limited by their porous structure, and performance of the part may be strongly anisotropic. Relating the structural features of parts to build process conditions or powder feedstock has been explored previously. In contrast, little is known regarding how the unique internal structures of LS parts evolve and relate to their performance later in their life cycle, for example, after use in a real-world operating environment. In this study, a tightly controlled LS build process and measurement campaign by standard X-ray computed tomography (XCT), supported by high-resolution synchrotron XCT, was used to benchmark the internal microstructure (e.g. porosity) as a function of four different build orientations in printed polyamide-12 (PA-12) parts. The initial performance of the parts after printing was characterized by tensile testing and dynamic mechanical analysis (DMA). Arrays of PA-12 parts in different build orientations were exposed to steam (under pressure) and air across multiple temperature and time points for the purposes of accelerated aging through oxidative and hydrolytic breakdown. Exposing parts to steam dramatically altered the internal microstructure and functional properties such as the glass transition temperature, tensile properties, and damping behavior. Notably, post-aging XCT revealed large microstructural changes after only 40 h of steam treatment relative to the as-printed specimens. Furthermore, pore reorganization and changes in crystallinity occurred regardless of whether the steam temperature was aggressive enough to induce a significant loss in mechanical properties. The build orientation dependence on the aging rate was minimal with the relative trend in performance persisting across most metrics among the different orientations even after aging.

36 MATERIALS SCIENCE↗

Effects of input gradient regularization on neural networks time-series forecasting of thermal power systems

This study proposes using neural networks, specifically gated recurrent unit (GRU), long-short-term memory (LSTM), and transformer networks, to improve control strategies in a 450 MW coal-fired power plant. However, neural networks face issues of becoming overly dependent on just a few variables to make predictions, which negatively impacts control decisions that rely on the model to determine the value of all manipulated variables. The paper introduces regularization techniques, including noise injection and input gradient regularization, during the training phase. Here, the work presents novel contributions in adapting neural networks to control industrial systems and applying regularization techniques from computer vision to industrial process control. Results demonstrate the effectiveness of input gradient regularization in reducing model dependence on subsets of variables, emphasizing the balance between fidelity and controllability. Further exploration is recommended, including the development of recurrent transformers, closed-loop control testing, and a sensitivity analysis on computer models to provide further insight.

20 FOSSIL-FUELED POWER PLANTS↗