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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 559 records · Page 31

Development of Multicomponent EAM Potential for Ni-Based Superalloy

We initiated the development of multi-component EAM potentials for Aluminides and Carbides, key phases in Ni-based Superalloys. The goal is to utilize the MD simulation to understand the deformation dynamics that contribute to the formation of voids and creep initiation. For this purpose, we constructed the raw data from ab-initio (molecular dynamics) MD simulations fed into the potential development code and used Nickel as the base metal with the addition of a number of various elements including Aluminum, Chromium, Tungsten. We then developed the EAM potentials for the aluminide and carbide phases using the force-fitting code MEAMfit. Our generated potential reproduces the fundamental properties of the Ni3Al and Mo23C6 phases. We verified further the EAM potential through the thermal stability test at different temperatures and by reproducing the elastic constants consistent with the experimental values.

36 MATERIALS SCIENCE↗

Task 2.3: Continuous Counter-Current Chromatography

This task in the Separations Consortium focuses on the development of counter-current chromatography (CCC), which is an advanced liquid-liquid chromatography method. Today, CCC is primarily practiced in batch mode operation, but continuous operation will be required for at-scale deployment in a biorefinery setting. In this task, we are developing a continuous CCC process in collaboration with a company that builds CCC units. This work will be demonstrated on the biorefining challenge of lignin valorization. Specifically, we demonstrate use of continuous CCC for both monomer-monomer and monomer-oligomer separations in multiple lignin streams of relevance to the biorefining industry. Breakthroughs in this area would be useful for BETO goals in both sustainable aviation fuel and biochemicals production, including directly contributing to BETO's 2030 lignin valorization goal. Our approach includes developing new computational modeling approaches to optimize both batch and continuous CCC processes, experimental work to determine optimal solvent systems for multiple lignin streams sourced from BETO-funded projects and industrial collaborators, and techno-economic analysis and life cycle assessment to identify the most impactful areas to ultimately enable this approach in the biorefinery. This task overall will enable high-resolution, multi-component, continuous separations at scale, demonstrated on a grand challenge biorefining problem.

BIOMASS FUELS↗

Ultra-high temperature carbide foams and methods of fabricating the same

Ultra-high temperature carbide (UHTC) foams and methods of fabricating and using the same are provided. The UHTC foams are produced in a three-step process, including UHTC slurry preparation, freeze-drying, and spark plasma sintering (SPS). The fabrication methods allow for the production of any kind of single- or multi-component UHTC foam, while also providing flexibility in the shape and size of the UHTC foams to produce near-net-shape components.

Agarwal, Arvind↗

HIGH-LOW FIDELITY THERMAL HYDRAULIC COUPLING USING AI/MACHINE LEARNING ALGORITHMS

The primary goal of the US Department of Energy (DOE) office of Nuclear Energy Integrated Energy Systems (IES) program is to develop the tools and framework for coupling multi-scale and multi-physical thermal and electrical energy usage and storage systems. High- and low-fidelity (high–low) coupling is a key feature of multi-scale, multi-component systems and has been an important focus of research in the nuclear energy community for the past two decades. An essential feature of demonstrating the capability to couple high-fidelity and low-fidelity systems for real-time applications are surrogate/reduced order models (ROM). For the purposes of this study, surrogate models are essentially Blackbox models, typically developed using supervised Machine learning (ML) algorithms. The surrogate models can be used to mimic the response of high-fidelity models to represent large historical datasets and coupled with more general low-fidelity system models distributed as Functional Mock-up Interface (FMI) or Functional Mock-up Units (FMU) modules. The example is demonstrated with Spallation Neutron Source (SNS) First Target Station flow loop data. The flow loop is a liquid mercury loop with a pump, piping, heat exchange, and internal heat generation in the target window. This work elucidates some of the potential benefits and future needs of developing tools for high–low system coupling of energy systems.

Williams, Wesley↗

Ultra-high temperature carbide foams and methods of fabricating the same

Ultra-high temperature carbide (UHTC) foams and methods of fabricating and using the same are provided. The UHTC foams are produced in a three-step process, including UHTC slurry preparation, freeze-drying, and spark plasma sintering (SPS). The fabrication methods allow for the production of any kind of single- or multi-component UHTC foam, while also providing flexibility in the shape and size of the UHTC foams to produce near-net-shape components.

Agarwal, Arvind↗

Numerical Simulation and Model Analyses of In-situ Biogeochemical Remediation of Chromium at the LANL - 18306

Environmental management problems associated with contamination of groundwater resources with heavy metals (such as chromium) typically require complex biogeochemical model simulations and analysis of in situ remediation. Frequently, the in situ remediation is the only viable treatment option. In these cases, a three-dimensional reactive transport model of relevant biogeochemical processes is invaluable. Recently, we have developed a novel unique biogeochemical simulator called CHROTRAN (http://chrotran.lanl.gov; Hansen et al. 2017, Vesselinov et al. 2018a) capable to represent the full three-dimensional dynamics of processes associated with in situ biogeochemical remediation of heavy metals in heterogeneous aquifers. CHROTRAN accounts for spatial and temporal transients of (1) the heavy metal to be remediated, (2) introduced amendments (e.g., through well injection), and (3) biomass growth and decay. The introduced amendments can include (1) an electron donor (e.g., molasses), (2) a nontoxic-conservative bio-inhibitor (e.g., ethanol), and (3) a biocide (e.g., dithionite). In addition, direct abiotic reduction by donor-metal interaction as well as donor-driven biomass growth and bio-reduction are modeled in CHROTRAN. Other critical processes, such as donor sorption, bio-fouling and biomass death are also modeled. CHROTRAN can simulate the groundwater flow dynamics introduced due a series of injection and extraction wells and account for reduction of aquifer permeability near the wells due bio clogging. CHROTRAN is based on the existing PFLOTRAN (http://pflotran.org; Lichtner et al, 2017a) code framework, taking advantage of the reaction interface allowing for implementation of complex model features and leverage other facets of PFLOTRAN, such as multi-component geochemistry and high-performance computing. Here, we present numerical simulations and model analyses related to the Los Alamos National Laboratory (LANL) chromium site. The analyses are performed by coupling of CHROTRAN with MADS (Model Analysis and Decision Support; http://mads.lanl.gov; Vesselinov et al., 2018b). We present analyses related to uncertainty quantification of model predictions, sensitivity of model parameters and remedial decision support. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Multicomponent Nanoparticle Synthesis for Advanced Manufactured Melt Wire Development

Additive manufacturing (AM) based direct-write technologies have emerged as a predominant enabler for the fabrication of advanced passive sensors in-pile applications. This work continues previous efforts with the modification and optimization of synthesis methods for multi-component nanoparticle systems used to support the development, fabrication and testing of AM sensors for peak temperature detection. For this report, bismuth, bismuth/platinum, tin, tin/silver, tin/zinc, indium, and indium/silver bi-metallic nanoparticles were synthesized using the wet chemical methods. The nanoparticles were then characterized with x-ray fluorescence to evaluate the elemental composition and differential scanning to determine the melting point and mass loss of the samples. Results continue to show that bi-metallic nanoparticles are a viable pathway for the fabrication of high-resolution AM melt wires.

36 MATERIALS SCIENCE↗

Accelerating Thermochemical Equilibrium Calculations for Nuclear Reactor Applications

Thermochemical properties play a key role in modeling and simulation of several key phenomena in nuclear reactors. There has been an increasing interest in incorporating CALPHAD-based formulations in multiphysics simulations including for Molten Salt Reactors where knowledge of phase evolution of the salt and the chemical potentials of various elements are of utmost importance in source term analyses and redox control. However, the size of such simulations is often limited by the high computational cost of full thermodynamic equilibrium calculations. This work discusses the current efforts aimed at accelerating thermochemical equilibrium calculations for multiphysics simulations performed using the open-source finite element / finite volume code Multiphysics Object Oriented Simulation Environment (MOOSE) [1]. While several methods have been proposed for accelerating phase equilibrium calculations [2], most focus on relatively small systems and often rely on a- priori knowledge of the state-space of the system. Nuclear materials, however, are often multi-component systems owing to the evolution of composition under irradiation and an approach based on a-priori mapping of phase diagram is often not enough. This work is aimed at demonstrating an on-the-fly surrogate modeling framework that uses active learning to reduce the number of full equilibrium calculations that must be performed. By combining with efficient coupling approaches, the surrogate framework helps in reducing the computational cost of thermodynamic equilibrium informed multiphysics simulations of nuclear materials. The performance is benchmarked against full coupling with the thermochemistry library Thermochimica [3]. This work uses a machine learning based approach for constructing surrogate models to predict the stable phases in a multicomponent system. The surrogates were constructed using neural networks and Gaussian process classification. In this work, we compare the relative performance of the two methods. We also demonstrate the use of caching previous calculations by interpolating the values from nearest neighbors. References [1] Lindsay, A.D., et al. "2.0 – MOOSE: Enabling massively parallel multiphysics simulation", SoftwareX, 20 (2022): 101202. [2] Roos, W.A. and Zietsman J.H. "Accelerating complex chemical equilibrium calculations – A Review", Calphad, 77 (2022): 102380. [3] Piro, M.H.A., et al. "The thermochemistry library Thermochimica", Computational Materials Science, 67 (2013): 266-272.

36 MATERIALS SCIENCE↗

Elucidating the Radiation-Induced Redox Chemistry of Plutonium Under Used Nuclear Fuel Reprocessing Conditions

Plutonium plays a critical role in the development of sustainable nuclear fuel cycles, and yet, our fundamental understanding of this element’s inherent radiation-induced redox chemistry and associated impacts on nuclear fuel cycle technologies is limited. Unanticipated changes in oxidation state distribution can influence the speciation and transport of plutonium in a given process. Control of these parameters is especially important for used nuclear fuel reprocessing technologies, wherein the separation and recovery of plutonium is typically achieved by the selective formation, maintenance, and complexation of specific oxidation states. Furthermore, plutonium’s inherent radiation-induced redox chemistry has the capacity to influence the radiolytic behavior of its complexes, the longevity of which are critical in the design of efficient and cost-effective advanced reprocessing technologies. These radiation-induced processes are unavoidable under fuel cycle conditions owing to the inherency of ionizing radiation fields to the decay of plutonium’s isotopes and to the various other radioisotopes generated by nuclear fission and neutron-capture process and the subsequent radioactive decay of their products. As such, mechanistically understanding the response of plutonium’s multiple oxidation states to multi-component ionizing radiation fields is essential for predicting the behavior of this critical element under used nuclear fuel reprocessing conditions. Here, through a combination of time-resolved (electron pulse) and steady-state (alpha and gamma) irradiation experiments complemented by quantitative, multiscale modeling calculations, we present advances in our understanding of radiation-induced plutonium redox chemistry!

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Optimization of Rocket Engine Components using Multi-Metallic Additive Manufacturing

Additive manufacturing (AM) is advancing many applications of component design for liquid rocket engines. AM has been demonstrated in various rocket component applications using a variety of monolithic metal alloys, many of which are traditional alloys for extreme environments. NASA and industry partners have focused in recent years to advance processing to create bimetallic and multicomponent AM processes and materials. The role of multi-metallic AM offers advantages since it can further optimize weight, optimize reliability and performance by increasing the strength to weight ratio of a component, and can optimize materials for various engineering requirements. NASA’s Rapid Analysis and Manufacturing Propulsion Technology (RAMPT) project has designed and manufactured a series of additively manufactured (AM) coupled combustion chambers, nozzles, and other engine components to advance new AM processes and materials with the goal of reducing cost and schedule for engine manufacturing. These designs incorporated multimetallic AM, which further enabled carbon-fiber composite overwrap to reduce overall thrust chamber assembly (TCA) mass. Various AM processes were demonstrated on these components using a copper-based alloy/superalloy bimetallic solution. The AM processes being explored individually and in combination for bimetallic applications include Laser Powder Bed Fusion (L-PBF), Laser Powder Directed Energy Deposition (LP-DED), and cold spray. The combination of bimetallic material combinations explored in this research include GRCop-based alloys and superalloys, Inconel 625 or NASA HR-1. One unique development that will be presented is the combustion chamber and nozzle as a single component by using freeform integrated DED to build the nozzle directly onto the aft end of the chamber. The various aspects of the additive manufacturing processes and challenges, materials characterization and mechanical testing, and hot-fire testing of bimetallic components in a relevant rocket engine environment will be discussed.

Additive Manufacturing↗

Development of Digital Twin Predictive Model for PWR Components: Updates on Multi Times Series Temperature Prediction Using Recurrent Neural Network, DMW Fatigue Tests, System Level Thermal-Mechanical-Stress Analysis

The long-term operation (LTO) of nuclear power plant (NPP) beyond their original design life of 40 years, can lead to more material damage associated with cyclic fatigue under thermal-mechanical loading cycles and associated long-term exposure of reactor material to the deleterious reactor-coolant environments. However, under this LTO condition the reactor components can still safely operate but may require more frequent Nondestructive Evaluation (NDE) of reactor components. Frequent NDE requirement may lead to frequent shutdown of the NPP. This in turn can lead to power outage and additional NDE-inspection-cost related economic loss. The economic loss can be minimized by reducing uncertainty in life estimation of safety-critical pressure boundary components and by implementing more digital approach such as by using upcoming digital-twin (DT) technology for predicting the structural states (e.g., time and location dependent inside/outside thickness temperature, stress, strain, plastic deformation, etc.) and associated fatigue life of a component in real time. Towards this goal Argonne National Laboratory (ANL) with the sponsorship of DOE Light Water Reactor Sustainability (LWRS) program is working on the development of a DT framework that can be used for real time environmental fatigue prediction of reactor components. The DT framework is based on limited experiment-data, Artificial-intelligence (AI) – Machine-Learning (ML) - Deep-Learning (DL) based techniques and Multiphysics-computational-mechanics such as finite element (FE) based modeling tools. Towards this overall goal, following are some of the major contributions made during the FY21: 1) Multiple 82/182 dissimilar metal weld (DMW) specimens (both solid-weld and joint-weld representing the actual reactor multi-metal nozzles) were fatigue tested. The resulting fatigue lives were compared to the NUREG-6909 based best-fit and design fatigue curves. Additionally, the results of 52/152 DMW fatigue specimens (which were recently tested at Republic of Korea under the sponsorship of International Nuclear Energy Research Initiative - INERI program) were compared to the NUREG-6909 based best-fit and design fatigue curves. From the comparison of 82/182 and 52/152 DMW test data with NUREG-6909 best-fit curve, most of the reported test data fall way away from the NUREG-6909 suggested best-fit or mean curve. The NUREG-6909 suggested best-fit curve is the best-fit curve of austenitic stainless steel and due to lack of enough data on Nickel-based welds, this is currently being used for predicting the life of Nickel-alloy-based welded components. However, the above observation may require higher scaling factor (e.g., ASME suggested factor of 20 on cycles rather than the current NUREG-6909 suggested factor of 12 on cycles) for scaling the austenitic-stainless-steel best-fit-curve for estimating the design or safe-life of a welded component. Accordingly, for example, if a DMW component experience a strain amplitude of 0.6% the PWR-water life of the component would be 52 cycles instead of 85 cycles. However, more DMW tests are required to further ascertain the above-mentioned observations. 2) A system level CAD and finite element model were developed which consists of reactor pressure vessel (RPV), part of steam generator (SG), part of pressurizer (PRZ), hot leg (HL), and surge line (SL). This is with detailed nozzle geometry and thermal-mechanical material properties of different metals to simulate realistic thermal-mechanical stress under connected system global thermal-mechanical boundary conditions. 3) Different system level heat transfer analyses were performed with estimation of relevant heat transfer coefficients. The resulting data were used in subsequent system level thermal-mechanical stress analysis and for generating spatial-temporal training and validation data for a system level digital-twin based temperature predictor. Transient heat transfer analyses were performed considering thermal boundary condition under design-basis (DB) loading and EDF (Électricité de France) data-based grid-load-following (EDF-GLF) loading cycles. 4) System level thermal-mechanical stress analysis was performed for identifying damage-prone hotspots and for future extension of the model for cyclic state prediction. From the system-level model simulation under DB loading cycle it is found that HL and the SL nozzle that connect to the HL can experience significant stress and strain and could be one of the weakest links in the overall reactor coolant system (RCS). 5) An AI/ML based DT model was developed for multi-time-series temperature prediction at any inside/outside thickness locations of PWR pressure boundary components. This is by using Recurrent-neural-network (RNN) and keras machine learning libraries. The RNN model was validated against two laboratory test-based data sets with one obtained through ANL’s in-air fatigue test system and other through PWR-water test loop. The experimentally validated DT model further validated against FE model results to predict thermal scarification related spatialtemporal temperatures at random locations of a component. The well validated DT model was then used for demonstrating spatial-temporal temperature prediction under 100+ years of reactor operation subjected to combined DB, EDF-GLF and randomized grid-load-following (RANDOMGLF) loading Cycles. The expert-elicitation DT model framework was developed assuming field/input/process measurements can be available from a few existing plant sensors and can readily be used by the NPP operators. The above temperature prediction model will feed to the next-step stress analysis model based on which the life of a component can be predicted in realtime, which is one of our future works.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Impact of Heat Input and Step Over Distance on Part Geometry for Multi-Bead WAAM Components

Abstract This study investigates the impact of heat input and overlap ratio or stepover distance on part geometry in wire arc additive manufacturing (WAAM). In this work, an experimental approach was taken to quantify the variation in height and aspect ratio of walls at different combinations of overlap and heat input. Multi-bead walls were deposited with the overlap ratio varying from ½, ⅔, and 1 at a low, medium, and high-power set point on the welding power supply. A relationship between heat input, overlap ratio, and the resultant part geometry is established. Trials with an overlap ratio of one and low to medium heat input exhibited greater lack of fusion defects than the high heat input trials. At higher heat input levels, the as-deposited geometry was found to have less variation in height and an increase in aspect ratio compared to lower heat input trials. The aspect ratio of deposited walls ranged from approximately 1, for the low-power trial with an overlap ratio of ½, to approximately 7, for the high-power trial with an overlap ratio of 1. Additionally, the low and medium power trials with an overlap ratio of ⅔ exhibited the least height variation in the top surface for those heat input levels with an average range of 2.9 mm and 1.8 mm respectively. For the high heat input trials, an overlap ratio of 1 was observed to have the least variation in height with a standard deviation of 0.42 mm and an average range of 1.7 mm; however, lack of fusion defects were present in the top surface and the part cross section.

Hussein, Zaky↗

New component development for multi-100 kW low-cost solar array applications

Studies of the cost and performance of flexible arrays have shown that the most dramatic reductions in the $/Watt figure of merit are achieved by increasing performance. An examination of those properties that contribute to array performance indicated areas where radical changes in current design practice and philosophy would result in significant cost and performance impacts. To take advantage of the predicted cost reductions, modules were fabricated and tested that had ultra-thin superstrates as a load carrying member and large area dielectric wraparound (DWA), gridded back surface and copper contacted solar cells.

Pack, G. J.↗

Multi-phase magnetic component and method of forming

A magnetic component including first and second regions, and a method of varying the magnetization values in different regions of the magnetic component are disclosed. The first and the second regions are characterized by a nitrogen content that is different from each other. At least one of the first region and the second region is partially-magnetic and has a nitrogen content in a range from about 0.1 weight % to about 0.4 weight % of that region. A concentration of carbon, if present, of both the first and second regions is less than about 0.05 weight % of the respective regions.

36 MATERIALS SCIENCE↗

Design, process development, manufacture, test and evaluation of boron-aluminum for space shuttle components

A multi phase boron-aluminum design and evaluation program for space shuttle components was conducted, culminating in the fabrication of a 1.22 m (48 inch) x 1.83 m (72 inch) boron-aluminum compression panel capable of distributing a point load of 1555 kN (350,000 lbs) into a uniform running load at a temperature of 589 K (600 F). This panel was of the skin-stringer construction with two intermediate frame supports; seven unidirectional stringers varied in thickness from 5 plies to 52 plies and the skin was contoured to thicknesses ranging from 10 plies to 62 plies. Both the stringers and the skin incorporated Ti-6Al-4V titanium interleaves to increase bearing and in-plane shear strength. The discrete program phases were materials evaluation, design studies, process technology development, fabrication and assembly, and test and evaluation.

Garrett, R. A.↗