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At least 703 records · Page 39

Determining anisotropic slip system rate sensitivities of Ti-6Al-4V using high-energy X-ray diffraction microscopy

Variation of strain rate sensitivity among different families of slip systems in the hexagonal close-packed (α) phase of titanium (Ti) alloys has the potential to alter microscale load redistribution during both creep and dwell fatigue loading. However, existing literature contains conflicting reports regarding the degree of anisotropy present in the strain rate sensitives between α slip system families across Ti alloys. Here, we quantify the strain rate sensitivity of α slip system families in Ti-6Al-4V using high-energy X-ray diffraction microscopy (HEDM). We present a novel procedure in which we utilize the HEDM-measured grain-scale stress states during stress relaxation to determine the strain rate sensitivities of the basal $\langle a \rangle$ , prismatic $\langle a \rangle$, and first-order pyramidal $\langle c + a \rangle$ slip system families. In addition, we measure the strain rate sensitivity exponent of the macroscopic response and the α phase for comparison. We find rate sensitivities for the different slip system families to range from 0.02 to 0.04, which—while varied—are relatively isotropic in comparison with some values presented in the literature. We also demonstrate the effects of the measured anisotropic rate sensitivities using crystal plasticity finite element simulations.

Peterson, Kenneth M. [Pennsylvania State Univ., Un↗

Welded and Hydrogen Charged Zircaloy-4 and Welded Stainless Steel 347 Property Data and Microstructures for the Target Solution Vessel and Support Lines of SHINE

SHINE Medical Technologies is developing a facility that will produce molybdenum-99 for medical isotope procedures. As part of this facility, a metal tank, called the target solution vessel (TSV), will hold a uranyl sulfite solution. The TSV must withstand neutron irradiation near room temperature and potential corrosion from the aqueous solution. The large cylindrical TSV will be fabricated by welding and will have numerous pipes and connections also attached via welding. The vessel and those pipes will have varying thicknesses so both gas tungsten arc welding (GTAW) and flux-cored arc welding (FCAW) will be necessary to fabricate different sections. The original material under consideration for the TSV was Zircaloy-4 (Zry-4), but it is known to form a hydride which can degrade its mechanical properties. Thus, some investigation here is focused on the effects of hydrogen uptake in the Zry-4. Additionally, the alternative material being considered is AISI 347, a stainless steel. Both materials have little existing data for their neutron irradiation behavior below 100°C, and both have open questions on the weld behavior under neutron irradiation. Testing has focused on characterizing their weld properties with tensile tests and performing neutron irradiation of samples in the High Flux Isotope Reactor (HFIR) at Oak Ridge National Laboratory (ORNL).

07 ISOTOPE AND RADIATION SOURCES↗

Neutrino-nucleus cross section impacts on neutrino oscillation measurements

The challenges in neutrino-nucleus cross section modeling and its impact on neutrino oscillation experiments are widely recognized. However, a comprehensive and theoretically robust estimation of cross section uncertainties has been lacking, and few studies have quantitatively examined their impact on oscillation measurements. In this work, we evaluate the effect of cross section uncertainties on oscillation parameters using setups inspired by NOvA and DUNE. To characterize these uncertainties, we adopt multiple neutrino-nucleus event generators and simulate a realistic experimental procedure that incorporates near-detector data and near-to-far-detector extrapolation. Our results confirm that cross section uncertainties cannot significantly bias oscillation results in current statistics-dominated experiments like NOvA. However, they could lead to substantial bias for future systematics-dominated experiments like DUNE, even when near-detector data are employed to mitigate uncertainties. These findings underscore the need for further studies on the quantitative impacts of cross section modeling, improved strategies to utilize near-detector data and the PRISM concept, and more robust cross section models to optimize the success of future experiments.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

CHARACTERIZATION ON ANISOTROPIC THERMAL CONDUCTIVITY FOR BIG AREA ADDITIVE MANUFACTURING WITH POLYMERS

Additive manufacturing with polymers has been used mainly for prototyping. A recent development of Big Area Additive Manufacturing (BAAM) at Oak Ridge National Laboratory has opened its applications in the mold and die industry. A numerical simulation and prediction for a mold heating performance requires accurate anisotropic thermal properties of the printed material, which are challenging to obtain, and often requires the use of multiple techniques. The transient plane source (TPS) technique has been widely used due to its ability to measure the thermal properties of an extensive range of materials (solids, liquids, powder). Despite the capability to characterize thermal conductivity k of isotropic and anisotropic materials, the measurements of latter materials are limited to the cases, where the samples have the same thermal conductivity k along x- and y-axis that form the radial plane. In this work, the method for a characterization of k in all three dimensions is developed, and the application of TPS is extended to the determination of thermal properties along the x-, y-, and z-axis individually. The materials are represented by additively manufactured polymers including polylactic acid (PLA) and styrene maleic anhydride (SMA). The developed method consists of (1) a determination of the heat capacity of the polymers by means of TPS in combination with the developed in this work data analysis procedure, (2) a machining three types of cylindrical samples from the same material, with the height corresponding either to x-, y-, or z-direction of printing, and (3) a determination of axial thermal conductivity employing anisotropic model and using previously determined heat capacity

Trofimov, Artem↗

Automated Gold Nanorod Spectral Morphology Analysis Pipeline

The development of a colloidal synthesis procedure to produce nanomaterials with high shape and size purity is often a time-consuming, iterative process. This is often due to quantitative uncertainties in the required reaction conditions and the time, resources, and expertise intensive characterization methods required for quantitative determination of nanomaterial size and shape. Absorption spectroscopy is often the easiest method for colloidal nanomaterial characterization. However, due to the lack of a reliable method to extract nanoparticle shapes from absorption spectroscopy, it is generally treated as a more qualitative measure for metal nanoparticles. This work demonstrates a gold nanorod (AuNR) spectral morphology analysis tool, called AuNR-SMA, which is a fast and accurate method to extract quantitative structural information from colloidal AuNR absorption spectra. To demonstrate the practical utility of this model, we apply it to three distinct applications. First, we demonstrate this model's utility as an automated analysis tool in a high-throughput AuNR synthesis procedure by generating quantitative size information from optical spectra. Second, we use the predictions generated by this model to train a machine learning model to predict the resulting AuNR size distributions under specified reaction conditions. Third, we apply this model to spectra extracted from the literature where no size distributions are reported and impute unreported quantitative information on AuNR synthesis. This approach can potentially be extended to any other nanocrystal system where absorption spectra are size dependent, and accurate numerical simulation of absorption spectra is possible. In addition, this pipeline could be integrated into automated synthesis apparatuses to provide interpretable data from simple measurements, help explore the synthesis science of nanoparticles in a rational manner, or facilitate closed-loop workflows.

36 MATERIALS SCIENCE↗

Supernova pointing capabilities of DUNE

The determination of the direction of a stellar core collapse via its neutrino emission is crucial for the identification of the progenitor for a multimessenger follow-up. A highly effective method of reconstructing supernova directions within the Deep Underground Neutrino Experiment (DUNE) is introduced. The supernova neutrino pointing resolution is studied by simulating and reconstructing electron-neutrino charged-current absorption on 40 Ar and elastic scattering of neutrinos on electrons. Procedures to reconstruct individual interactions, including a newly developed technique called “brems flipping,” as well as the burst direction from an ensemble of interactions are described. Performance of the burst direction reconstruction is evaluated for supernovae happening at a distance of 10 kpc for a specific supernova burst flux model. The pointing resolution is found to be 3.4 degrees at 68% coverage for a perfect interaction-channel classification and a fiducial mass of 40 kton, and 6.6 degrees for a 10 kton fiducial mass respectively. Assuming a 4% rate of charged-current interactions being misidentified as elastic scattering, DUNE’s burst pointing resolution is found to be 4.3 degrees (8.7 degrees) at 68% coverage.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

A scalable and autoclavable oxygen nanosensor platform for metabolic monitoring of Saccharomyces cerevisiae in a bioreactor and other in situ systems

Polymer-encapsulated dye nanoparticle sensors are a valuable approach to achieving in situ analyte measurements with luminescence; however, typical emulsion-based nanosensors are poorly suited for large-scale biological samples due to limitations of synthesis scalability and stability. Branched polyethylenimine (PEI) is a versatile polymer scaffold ideal for constructing nanoparticles with various covalently conjugated moieties due to their high density of reactive primary amines, high water solubility, and biological stability. In this work, we used branched polyethylenimine as a scaffold-based approach for making a stable and scalable ratiometric oxygen sensor. Pt (II) tetracarboxyporphine was used as an oxygen-sensing dye and coumarin 343 as a reference dye, all covalently linked to the PEI scaffold producing a product that could withstand sterilization procedures and easily be scaled. To minimize toxicity from the PEI scaffold, we conjugated it with 2000 MW PEG. The applicability of the sensors was demonstrated in a 200 mL Saccharomyces cerevisiae yeast culture, using orthogonal luminescent and electrochemical oxygen measurements to validate sensor response and measure the metabolic activity of the yeast in our culture. Further, this approach was able to match the sensitivity of our electrochemical measurements while improving upon drawbacks of other luminescent methods of oxygen detection, demonstrating effective monitoring for at least 20 h. Our scaffold-based approach is a modular and easily translatable technology that could be useful in various biotechnological applications.

59 BASIC BIOLOGICAL SCIENCES↗

Emergence of vorticity and viscous stress in finite-scale quantum hydrodynamics

The Madelung equations offer a hydrodynamic description of quantum systems, from single particles to quantum fluids. In this formulation, the probability density is mapped onto the fluid density and the phase is treated as a scalar potential generating the velocity field. As examples of potential flows, quantum fluids described in this way are inherently irrotational, but quantum vortices may arise at discrete points where the phase is undefined. In this paper, starting from this irrotational description of a quantum fluid, a coarse-graining procedure is applied to arrive at a macroscopic description of the quantum fluid in terms of a hierarchy of moments in which the role of velocity is played by a Favre average of the microscopic velocity field. This hierarchy is truncated using an explicit closure derived from an expansion in a finite length scale. The resulting coarse-grained fields are shown to allow for finite vorticity at any point in the fluid. Additionally, it is shown that this vorticity obeys a similar equation to the vorticity equation in classical hydrodynamics and includes a vortex-stretching term. The particular closure employed here also gives rise to a novel stress term in the fluid equations, which in the appropriate limit appears analogous to an artificial viscous stress from computational fluid dynamics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Review of Presentation by Carter Wolf

The presentation was informative on the different techniques used to study the electronic dynamics of materials on the femtosecond scale, such as ARPES and TR ARPES. The presentation also discussed in depth code analysis, and the procedure used to remove noise from noisy data via machine learning procedures. The presentation first focused on an overview of the ARPES technique, and how TR-ARPES differs from it. The presentation then explored computational techniques used for fitting ARPES and TR-ARPES data, using the pyARPES framework. After that, the presentation discussed machine learning approaches for denoising noisy data such as Noise2Noise and Noise2Self. The main issue of denoising existing ARPES data and the necessity of machine learning approaches due to the lack of clean ARPES data were very clearly articulated as a major part of the project. The implementation, training and refinement and optimization were clearly detailed, along with a full documentation of attempts that worked and attempts that did not, thus thoroughly and clearly showing the research process. Experimental techniques regarding ARPES were also briefly documented.

36 MATERIALS SCIENCE↗

Joint Modeling of Wind Speed and Wind Direction Through a Conditional Approach

Atmospheric near surface wind speed and wind direction play an important role in many applications, ranging from air quality modeling, building design, wind turbine placement to climate change research. It is therefore crucial to accurately estimate the joint probability distribution of wind speed and direction. In this work, we develop a conditional approach to model these two variables, where the joint distribution is decomposed into the product of the marginal distribution of wind direction and the conditional distribution of wind speed given wind direction. To accommodate the circular nature of wind direction, a von Mises mixture model is used; the conditional wind speed distribution is modeled as a directional dependent Weibull distribution via a two-stage estimation procedure, consisting of a directional binned Weibull parameter estimation, followed by a harmonic regression to estimate the dependence of the Weibull parameters on wind direction. A Monte Carlo simulation study indicates that our method outperforms two other approaches in estimation efficiency: one that utilizes periodic spline quantile regression and another that generates data from the commonly used Abe-Ley distribution for cylindrical data. We illustrate our method by using the output from a regional climate model to investigate how the joint distribution of wind speed and direction may change under some future climate scenarios. Our method indicates significant changes in the variation of wind speed with respect to some directions.

17 WIND ENERGY↗

Out-of-Pile Testing and Instrumentation Transient Water Irradiation System

Current initiatives to increase the burnup of conventional nuclear fuels past the approximate 62 GWd/t limit have been spurred on by direct savings to refueling and waste storage. The technical justification for a new license limit requires extensive qualification through experimental testing. Unlike beginning-of-life fuels, high-burnup fuels are more susceptible to fuel fragmentation, relocation, and dispersal (FFRD), therefore more data is needed to characterize fuels under key accident scenarios. The Transient Reactor Test Facility (TREAT) located at the Idaho National Laboratory has developed a testing apparatus architecture to test fuels and claddings at prototypic conditions. The Transient Water Irradiation System (TWIST) is the latest iteration of a testing device capable of conducting loss of coolant accidents (LOCAs) in TREAT. The Out-of-Pile Testing and Instrumentation TWIST (OPTI-TWIST) is an electrically heated device that is analogous to TWIST. OPTI-TWIST allows for detailed instrumentation and thermal-hydraulic characterization. TWIST ultimately aims to conduct the most advanced in-situ diagnostics to evaluate FFRD in a prototypic LOCA. Moreover, it will explore the phenomenological bifurcation of a decay-energy heat up driven LOCA and a stored-energy heat up driven LOCA. The instrumentation suite includes conventional thermocouples and pressure transducers in addition to an electro impedance sensor, an acoustic emission sensor, an optical pressure sensor, and an optical pyrometer. Characterizing these instruments in OPTI-TWIST eliminates complications of irradiation effects while preserving extreme thermal-hydraulic conditions. Finally, benchmarking both devices to a thermal-hydraulic code like the Reactor Excursion and Leak Analysis Program (RELAP)5-3D provides a unique opportunity for iteration. Pre-test predictions and post-test interpretations inform the physical designs, operational procedures, test conditions, and instrumentation types and positions.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

In-situ polymerized and crosslinked electrolytes with interchangeable Li/Na transport for battery applications

The next generation of batteries requires electrolytes with high conductivity, mechanical stability, good adhesion with electrodes, wide electrochemical windows, and scalability. The present study introduces a concept of doped quasi single-ion conducting copolymers based on methacrylate-(trifluoromethanesulfonyl)imide (TFSI) and vinyl ethylene carbonate which at room temperature are mechanically robust and display ionic conductivities of ~0.1 mS/cm. These electrolytes can be polymerized/crosslinked in-situ, making them easily implementable in current battery manufacturing technologies. They also allow for switching between Li + and Na + transport using simple chemistry procedures. To demonstrate their potential for battery applications, the newly developed Li conductors have been tested in symmetric cells, exhibiting overall impedance below 350 Ohm and plating/stripping stability up to 1 mA/cm 2 . Moreover, lithium metal batteries incorporating this electrolyte and high-voltage Lithium Nickel Manganese Cobalt Oxide (NMC) cathodes show good capacity retention (~79%) during charging and discharging for 80 cycles at C/10 rate and a Coulombic efficiency close to 100% in the entire measurement range. The compositional, mechanical and electrochemical versatility of these electrolytes opens new venues for the design of polymer-based batteries capable of fast charging and extended cycle life, aligning with the current global green energy storage strategies.

Polymer electrolytes↗

Development of a robust damage analysis scheme at the National Ignition Facility

The onset of laser-induced damage in optical materials is a limiting factor in the design and operation of most high-energy laser systems. As such, significant effort has been dedicated to developing laser damage testing protocols and procedures to inform laser system design and operating limits. These tests typically rely on multiple laser exposures for statistical validation. Historically, small beam single fluence (N / 1) or ramped fluence (R / 1) tests have been used to quantify the “laser-induced damage threshold” of a material. However, due to various distributions in damage precursor populations, the laser fluence at which damage occurs for a given sample varies with beam size and is therefore better described as the onset of observed damage for that testing geometry. In conclusion, we document the development of irradiation, measurement, and analysis methods for damage testing resulting in damage initiation density as a function of incident fluence or ρ(ϕ) which is suitable for both small and large beam area testing and more conducive to extrapolating from one to the other.

Beam diameter↗

Creep-fatigue Behavior and Damage Accumulation of a Candidate Structural Material for Concentrating Solar Power Solar Thermal Receiver (Final Technical Report)

Creep-fatigue deformation is an important consideration for a thermal receiver in Concentrating Solar Power systems due to the constant static stress or pressure, diurnal cycling, and elevated service temperatures required for efficient operation. An accurate description of the creep-fatigue behavior, not available for five of the six candidate materials, is important for assessment of preliminary designs. This project has provided a detailed analysis of the creep-fatigue behavior and damage accumulation of Alloy 740H, a candidate structural material for a CSP solar thermal receiver to address a critical knowledge barrier for receiver designs identified in the CSP Gen3 Demonstration Roadmap. This project was divided in to three tasks, split between two general categories: Experimental and design methodology. Tasks 1 and 3, relating to the collection of data on Alloy 740H plate and sheet forms, respectively, were performed at the Idaho National Laboratory and used as input to Task 2, the development of design methodology performed at Argonne National Laboratory. Experimental work covered limited tensile and creep testing to fill gaps in available data that is currently available and to demonstrate how the plate of Alloy 740H tested in this work compared to historical data. A more substantial testing program for fatigue and creep-fatigue was performed, with particular emphasis on creep-fatigue as there is little available data and it is necessary to understand the creep-fatigue interaction and develop related design models. This effort includes the development of rules for the design of solar receiver components against high temperature creep-fatigue and ratcheting failure modes. The ASME Code rules for high temperature nuclear components was used to the basis of the method but adjustments will be made to reflect the generally shorter, diurnal operating cycles of thermal receivers and the relative consequences of failure, comparing nuclear to solar components. This work has provided guidance for the design of components for concentrating power facilities operating at high temperatures and undergoing high, secondary thermal stresses relative to the applied primary pressure stress. The design rules were developed for the design of Generation 3 CSP tubular receivers manufactured from Alloy 740H, but are generally applicable to a wide range of component types undergoing similar loads. Procedural design rules for components to be used in conjunction with the 2019 edition of the ASME Boiler & Pressure Vessel Code and the corresponding design data for Alloy 740H have been developed. A commentary describing the rationale behind the design rules and the data underlying the design material properties, as well as an extensive set of worked sample problems detailing the application of the rules to CSP components were developed as a part of this project, with a separate report covering these aspects in detail and included in the Appendix of this report.

14 SOLAR ENERGY↗

Characterization of Infrequent Samples from The Concentration, Storage, And Transfer Facility: Leak Detection Box (LDB) Drain Cell Sample: February 26, 2023, Sample

Savannah River Mission Completion Engineering (SRMC-E) requested that the Savannah River National Laboratory (SRNL) analyze the Concentration, Storage, and Transfer Facility (CSTF) samples from the following Tank Farm areas: the sump encasement, catch tank, drain cell, and waste tank annulus. In general, these CSTF samples will be analyzed on an infrequent basis and analyses will include detection for total beta/gamma activities, total alpha activity, free hydroxide, and pH measurements. This report presents characterization results for the leak detection box (LDB) February 26, 2023, drain cell sample. The sample was clear and colorless with no visible particulates. The results are measurements for total gamma, total alpha, total beta, free hydroxide, pH, and density. These analyses were performed in triplicate. A summary of the average analytical results for the LDB sample includes the following. The directly measured pH for the LDB February 26, 2023 "as-received" drain cell sample range was 7.12-7.16, and the free hydroxide concentration was <0.02 M. The density of the "as-received" drain cell sample determined at 25 °C was 1.02±0.00 g/mL. The total alpha activity for the LDB February 26, 2023, sample is reported as a less than value (Upper Limit) because of possible spectral interferences. Thus, the total alpha activity averaged <3.52E+02 dpm/mL. This value is less than 4.83E+03 dpm/mL, which is the procedural limit for non-waste determination. The total beta activity in the LDB February 26, 2023, drain cell sample is above the instrument detection limits and average 9.76E+03±5.94E+02 dpm/mL. The total beta activity in the LDB February 26, 2023, drain cell sample is above he instrument detection limits and averaged 7.76E+03±5.94E+02 dpm/mL. The average measured cesium-137 activity (dominant beta emitter) in the LDB February 26, 2023, drain cell sample is 7.76E+03±2.35E+02 dpm/mL. The corresponding Ba-137m (dominant gamma emitter) activity, calculated as 94.6% of the Cs-137 values, is 7.34E+03±2.23E+02 dpm/mL. The total empirical activity of the beta and gamma emitting (represented by the sum of total beta and Ba-137m activities) averaged 1.71E+04±8.18E+02 dpm/mL. This value is less than 8.69E+05 dpm/mL, which is the procedural limit for non-waste determination.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Spectrally Stabilized Interface Capturing Formulation and Implementation in Nek5000/NekRS

This report documents the formulation of a novel level-set method for incompressible two-phase flows in the continuous Galerkin (CG) high order spectral element framework. The overall method hinges on a novel implementation of the spectral vanishing viscosity (SVV) operator for the stabilization of linear/non-linear hyperbolic problems. The multidimensional SVV convolution kernels, which in essence, have a similar effect as a high pass filter applied to the derivatives, are formulated by exploiting the tensor product form, analogous to the construction of the usual stiffness matrix system. The resulting kernels are directionally decoupled and ensure a linear, symmetric positive definite, elliptic matrix operator. The SVV formulation is demonstrated to provide a robust stabilizing mechanism through challenging linear and non-linear hyperbolic problems, including problems pertinent to the level-set formulation. The two-phase framework conceptualized herein is based on the conservative level-set (CLS) method which represents the interface between the fluids by the 0.5 iso-contour of the smoothed Heaviside function. The CLS method is augmented with a preconditioning procedure for interface normals using the signed distance function which precludes the manifestation of spurious oscillations in the vicinty of the interface. Further, the existing mixed explicit-implicit approach for the solution of Navier-Stokes equations in Nek5000, as described in Tomboulides et al, is augmented with a pressure coefficient splitting approach for the Poisson equation, which greatly accelerated the convergence of pressure solver for two-phase systems with large density ratio. The robustness and accuracy of the overall two-phase method is demonstrated through canonical challenging problems involving high density and viscosity ratios, with and without surface tension. The two-phase formulation is wholly implemented in Nek5000 and the SVV stabilization method is implemented in NekRS, which is the essential precursor to the two-phase framework, undergoing active development.

97 MATHEMATICS AND COMPUTING↗

Second-order renormalized Hamiltonian of Yukawa theory

Using the renormalization group procedure for effective particles we calculate the effective Hamiltonians in the theory of a fermion field coupled to a scalar field via the Yukawa interaction. The theory is renormalized by the addition of counterterms. Necessary counterterms are determined by computing matrix elements of the effective Hamiltonian. All calculations are performed up to the second order in the expansion in powers of the coupling constant. Renormalized effective Hamiltonians are well-defined symmetric forms acting in the Fock space as opposed to the renormalized bare Hamiltonian, which is not well defined without regularization. We introduce computational techniques that should streamline higher-order calculations and may be of independent interest.

Ab initio calculations↗

Lessons Learned from the Clean Energy to Communities (C2C) Peer-Learning Cohort Incorporating Community Priorities into Electric Vehicle Plans and Projects

The National Renewable Energy Laboratory (NREL), with support from World Resources Institute (WRI), designed and led a six-month peer-learning cohort from January through July 2024 on "Enhancing Resilience at Critical Facilities through Solar, Storage, and Microgrids" as part of the U.S Department of Energy's Clean Energy to Communities (nrel.gov/c2c) (C2C) program. Representatives from 15 municipalities, municipal utilities, colleges, and Tribes from across the United States participated in monthly workshops covering best practices for planning and deploying local resilience projects. This document shares key takeaways, lessons learned, and resources from the cohort including key steps that can be taken to help entities design effective community engagement processes around clean mobility.

ADVANCED PROPULSION SYSTEMS,ENERGY PLANNING, POLIC↗