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At least 1,225 records · Page 68

All sources NASA NTRS DOE OSTI

DOE OSTI2021

Process-Structure-Property Relations for As-Deposited Solid-State Additively Manufactured High-Strength Aluminum Alloy

Solid-state additive manufacturing methods provide innovative solutions to circumvent problems associated with materials susceptible to hot cracking by avoiding liquid solid phase transformations. In this work, the process parameter influence on microstructural evolution and mechanical response of a fully dense aluminum alloy 7050 (AA7050) component manufactured via a rapid, solid-state additive manufacturing process known as Additive Friction Stir Deposition (AFS-D) was quantified for the first time. Three sections (starting dwell, transient, crossover of roads) of the deposition that exhibit differing thermomechanical processing histories were evaluated for the resulting microstructure and mechanical response. The microstructural characterization was performed on the as-deposited AA7050 via Electron Backscatter Diffraction (EBSD), TEM, optical microscopy, and Scanning Electron Microscopy (SEM). The microstructural characterization revealed refined constituent particles and grains throughout the as-deposited AA7050 microstructure. Furthermore, quasi-static tensile experiments were conducted in both the build and transverse directions, in order to quantify the orientation influence on tensile properties of the as-deposited AA7050 build. Spatially dependent tensile properties were observed in the material due to heat input variation coarsening of secondary phases towards the initial layers of the AFS-D build. Post-mortem analysis revealed that voids nucleated and coalesced from the overgrowth of the strengthening precipitates present in the material, resulting in fracture.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Implications of Underground Nuclear Explosion Cavity Evolution for Radioxenon Isotopic Composition

Abstract Isotopic ratios of radioxenons sampled in the atmosphere or subsurface can be used to verify the occurrence of an underground nuclear explosion (UNE). Differences in the half-lives of radioactive xenon precursors and their decay-chain networks produce different time-dependent concentration profiles of xenon isotopes allowing isotopic ratios to be used for tracking UNE histories including estimating the time of detonation. In this study, we explore the potential effects of post-detonation cavity processes: precipitation of iodine precursors, gas seepage, and prompt venting on radioxenon isotopic evolution which influences UNE histories. Simplified analytical models and closed-form solutions yielding a potentially idealized radioactive decay/ingrowth chain in a closed and well-mixed system typically have limited application by not including the partitioning of the radionuclide inventory between a gas phase and rock melt created by the detonation and by ignoring gas transport from the cavity to host rock or ground surface. In reality, either subsurface transport or prompt release that is principally responsible for gas signatures violates the closed-system (or batch-mode) assumption. A closed-form solution representing time-dependent source-term activities is extended by considering the cavity partitioning process, slow seepage, and/or prompt release of gases from the cavity and applied to realistic systems.

Sun, Yunwei (ORCID:0000000194801439)↗

DOE OSTI2023

Predicting chatter using machine learning and acoustic signals from low-cost microphones

Machining chatter is a phenomenon resulting from self-oscillation between a machining tool and workpiece. This self-oscillation results in variation on the machined product that reduces the ability to meet desired specifications. Chatter is a widely studied topic as it directly relates to the quality of machined products. Here, this study details the application of a Random Forest (RF) classifier with Recursive Feature Elimination (RFE) to machining audio collected by a single microphone during down-milling operations. This approach allows straightforward feature elimination that results in an easily understood set of analyzed dimensions. Stability is predicted solely based on the classification output of the RF classifier. Our approach proves highly predictive with consistent machining setup and a small sample set. We also review transferability between machining setups and present key findings. Our RF approach demonstrates the ability to analyze and classify chatter through a low-cost approach with limited training data required. The motivation for using a single microphone is to enable detection on machines without other sensors, such as accelerometers, present in the machining setup. The value of the in-process sensor and chatter classifier is highlighted because the machining setup included asymmetric dynamics that reduced the accuracy of the traditional analytical stability solution. We see a natural progression to deploying this audio-only methodology with real-time processing and classification using either a laptop or smartphone. This progression will allow visual indicators during the machining process that can alert machinists of progression into unstable machining processes.

42 ENGINEERING↗

DOE OSTI2024

Moderate active Fe 3+ doping enables improved cationic and anionic redox reactions for wide-voltage-range sodium storage

Layered metal oxides are promising cathode materials for sodium-ion batteries (SIBs) due to their high theoretical specific capacity and wide Na + diffusion channels. However, the irreversible phase transitions and cationic/anionic redoxes cause fast capacity decay. Herein, P2-type Na 0.67 Mg 0.1 Mn 0.8 Fe 0.1 O 2 (NMMF-1) cathode material with moderate active Fe 3+ doping has been designed for sodium storage. Uneven Mn 3+ /Mn 4+ distribution is observed in NMMF-1 and the introduction of Fe 3+ is beneficial for reducing the Mn 3+ contents both at the surface and in the bulk to alleviate the Jahn–Teller effect. The moderate Fe 3+ /Fe 4+ redox can realize the best tradeoff between capacity and cyclability. Therefore, the NMMF-1 demonstrates a high capacity (174.7 mAh g -1 at 20 mA g -1 ) and improved cyclability (78.5% over 100 cycles) in a wide-voltage range of 1.5–4.5 V (vs. Na + /Na). In-situ X-ray diffraction reveals a complete solid-solution reaction with a small volume change of 1.7% during charge/discharge processes and the charge compensation is disclosed in detail. This study will provide new insights into designing high-capacity and stable layered oxide cathode materials for SIBs.

25 ENERGY STORAGE↗

DOE OSTI2023

In Situ Imaging of Faujasite Surface Growth Reveals Unique Pathways of Zeolite Crystallization

Zeolite crystallization occurs by complex processes involving a variety of possible mechanisms. The sol gel media used to prepare zeolites leads to heterogeneous mixtures of solution and solid states with diverse solute species. At later stages of zeolite synthesis when growth occurs predominantly from solution, classical two-dimensional nucleation and spreading of layers on crystal surfaces via the addition of soluble species is the dominant pathway. At earlier stages, these processes occur in parallel with nonclassical pathways involving crystallization by particle attachment (CPA). The relative roles of solution- and solid-state species in zeolite crystallization have been a subject of debate. Here, in this work, we investigate the growth mechanism of a commercially relevant zeolite, faujasite (FAU). In situ atomic force microscopy (AFM) measurements reveal that supernatant solutions extracted from a conventional FAU synthesis at various times do not result in growth, indicating that FAU growth predominantly occurs from the solid state through a disorder-to-order transition of amorphous precursors. Elemental analysis shows that supernatant solutions are significantly more siliceous than both the original growth mixture and the FAU zeolite product; however, in situ AFM studies using a dilute clear solution with a lower Si/Al ratio revealed three-dimensional growth of surfaces that is distinct from layer-by-layer and CPA pathways. This unique mechanism of growth differs from those observed in studies of other zeolites. Given that relatively few zeolite frameworks have been the subject of mechanistic investigation by in situ techniques, these observations of FAU crystallization raise the question whether its growth pathway is characteristic of other zeolite structures.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Mk-IV Salt Crystallization Hot Finger Apparatus for Partitioning Used Electrorefiner Salt

Electrorefining is a controlled redox process used to regulate the behavior of ionic species. Through this process, metals can be deposited onto a cathode from an electrolyte solution in a controlled manner. The Mk-IV electrorefiner (Mk-IV ER) at Idaho National Laboratory is an engineering-scale, molten salt-based electrorefining cell that has been used for decades to recover metallic uranium from spent fuel. As a result, highly stable fission product chlorides have accumulated in the electrolyte. This accumulation results in changes to the salt’s properties, such as melting temperature, thermal conductivity, and density, as well as elevated product impurity and fissile materials criticality margin. These factors prompt the need for a salt regeneration process, such as melt-crystallization and species drawdown. This work focuses on providing a conceptual design to regenerate ER salt from used Mk-IV-ER salt in-situ, while minimizing salt waste volumes by concentrating the fission products in a final processed salt heal. We propose using a hot-finger crystallization apparatus design to fractionally crystallize salt in the Mk-IV-ER head space (or baffle space), allowing the collection of solid and liquid fractions. By using a cup-drain design, the used salt will be allowed to slowly solidify on the walls of a stainless-steel cup. The apparatus drain plug will then open to allow the liquid salt phase to drain to a lower cup, effectively separating the liquid phase from the solid phase. Under the hypothesis that the liquid phase salt concentrates the fission products, which is under examination in the accompanying work package, this separation allows the recovered solid salt to be reused while minimizing the high-level salt waste volume of used ER salt.

36 - MATERIALS SCIENCE↗

DOE OSTI2020

Electrolytically Assisted Surface Decontamination (EASD{sup TM}) for POCO Operations - 20282

NNL in collaboration with C-Tech Innovation Ltd and Sellafield Ltd has been exploring innovative technologies to enable a significant reduction of radiological hazards within facilities during the Post Operational Clean Out (POCO) phase of a nuclear plant's life cycle. Reducing the hazard by effectively decontaminating plants in-situ during POCO delivers huge cost reductions for future decommissioning operations. These cost reduction benefits are realized by reducing the number and complexity of remote operations as well as lowering the long-term waste disposal costs. Whilst chemical decontamination can achieve the desired level of decontamination, applying aggressive chemical reagents is hazardous, potentially difficult to control and requires there to be complimentary effluent treatment and waste routes. This work has aimed to develop flexible and controllable decontamination processes which could be operated without the additional complexity and issues associated with chemical decontamination. The processes needed to be relatively fast and effective to minimize the time operators would spend in an active area. In addition, there was a driver to produce decontamination methodologies which generated a secondary waste compatible with current routes and which takes advantage of current waste capacity. The strategy therefore was to come up with a solution that works with, rather than against, the science and engineering behind process plants at Sellafield. Electrolytically Assisted Surface Decontamination (EASD{sup TM}) is an innovative electrochemical decontamination process (developed by NNL and C-Tech Innovation Ltd) that can remove activity from contaminated metal in very short time periods. Application of the patented electric waveform to the surface when treating contaminated metal with nitric acid has been shown to significantly enhance the decontamination performance. When compared to proposed baseline washout procedures at Sellafield, the only change to the process is the applied electrical waveform which is temporary and controllable. The current causes dissolution of the metal surface being decontaminated which leads to activity transferring from the plant item into the nitric acid effluent stream. This innovation has the potential to transform the POCO process and allow a nitric acid based washout approach to deliver POCO quickly and cost effectively within the existing infrastructure. Several devices have now been designed that incorporate this EASD{sup TM} technology and enable the decontamination process to be applied to a range items commonly identified as being contaminated during nuclear decommissioning programmes such as pipework, tanks and hotspots of walls/floors. Inactive and active laboratory-scale testing has been completed using both simulated and 'real-life' contaminated (low level waste) metallic items retrieved from different nuclear sites. Active trials demonstrated that contaminated items could be treated to free release levels within minutes. Engineering scale tests are currently being performed, with guidance from Sellafield's system engineers and plant managers, to provide the necessary re-assurance the designed devices could be successfully deployed in an on-plant scenario. The final stage of this development work is to carry out an active demonstration of the decontamination technology on Thorp at Sellafield. This paper aims to highlight progress made to date with the EASD{sup TM} technology and, more specifically, the development of an in-situ decontamination device for deployment within radioactive pipework. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2026

Nanoengineering of non-aqueous liquid electrolyte solutions for future lithium metal batteries

Research and development of non-aqueous electrolyte solutions are essential for practical advancement towards the production of high-energy lithium metal batteries (LMBs). An ideal LMB electrolyte solution should enable highly efficient, uniform and prolonged lithium metal plating and stripping, preserve the electrodes’ electro(chemo)mechanical properties and ensure compatibility with all cell components. However, despite extensive research efforts, scientists have yet to achieve an electrolyte design that meets these requirements simultaneously. Here, by examining the nanoengineering aspects of various non-aqueous electrolyte solution designs, we elucidate the understanding of the nanoscale physicochemical and electrochemical processes taking place in LMBs, which are mainly governed by the thermodynamic and kinetic properties of the electrolyte system. We also explore emerging research directions and propose an accelerated, iterative framework that integrates nanoengineering principles with machine learning, high-throughput computation and experimentation to facilitate the development of next-generation non-aqueous electrolyte solutions for practical LMBs.

Weintz, Dominik↗

DOE OSTI2024

Feasible Actuator Range Modifier (FARM), a Tool Aiding the Solution of Unit Dispatch Problems for Advanced Energy Systems

Integrated energy systems (IESs) seek to minimize power generating costs in future power grids through the coupling of different energy technologies. To accommodate fluctuations in load demand due to the penetration of renewable energy sources, flexible operation capabilities must be fully exploited, and even power plants that are traditionally considered as base-load units need to be operated according to unconventional paradigms. Thermomechanical loads induced by frequent power adjustments can accelerate the wear and tear. If a unit is flexibly operated without respecting limits on materials, the risk of failures of expensive components will eventually increase, nullifying the additional profits ensured by flexible operation. In addition to the bounds on power variations (explicit constraints),the solution of the unit dispatch problem needs to meet the limits on the variation of key process variables, including temperature, pressure and flow rate (implicit constraints).The FARM (Feasible Actuator Range Modifier) module was developed to enable existing optimization algorithms to identify solutions to the unit dispatch problem that are both economically favorable and technologically sustainable. Thanks to the iterative dispatcher–validator scheme, FARM permits addressing all the imposed constraints without excessively increasing the computational costs. In this work, the algorithms constituting the module are described, and the performance was assessed by solving the unit dispatch problem for an IES composed of three units, i.e., balance of plant, gas turbine, and high-temperature steam electrolysis. Finally, the FARM module provides dedicated tools for visualizing the response of the constrained variables of interest during operational transients and a tool aiding the operator at making decisions. These techniques might represent the first step towards the deployment of an ecological interface design (EID) for IES units.

47 OTHER INSTRUMENTATION↗

DOE OSTI2020

Closed-Form Solutions for the Equations of Motion of the Heavy Symmetrical Top with One Point Fixed

The Equations of Motion (EOM) for the Heavy Symmetrical Top with One Point Fixed are highly non-linear. The literature describes the numerical methods that are used to resolve this Classical system including modern tools i.e. the Runge-Kutta Fourth Order method. It is more difficult to derivate closed-form solutions for the EOM and as mentioned in the literature it is not always possible to find the close-form solution for all the EOM. Fortunately, there are a few examples available that will serve as a guide to move further on in this topic. It is the purpose of this paper to find a methodology that will produce the solutions for a given subset of EOM that fulfill certain requisites. The report is organized as follows: it starts with a very short summary of the literature available on this topic and quickly follows into the derivation of the EOM using the Euler-Lagrange method. The Routhian will be used to reduce the size of the expression. It continues with the formulation of the Classical cubic function (f(u)) through a novel process. The roots of f(u) are of the outmost importance to be able to find the EOM closed-form solution, and once the final roots are selected the general method that will produce the closed-form solutions is presented. Two sets of examples are included to show the validity of the process and comparisons of the results from the closed-form solutions vs. the numerical results for these examples are shown.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2020

Versatile coating with multifunctional performance for solar steam generation

In this work, a new kind of material, composite complex coating (CCC), with multifunctional performance has been developed for solar steam generation. The CCC has many advantages: (a) Scalability. The fabrication process is facile and mild; it can be realized in aqueous solution at room temperature, without high pressure, toxic organic solvents, or complex equipment. (b) Cost-effectiveness. The reagents used for preparation of CCC are low-cost and readily available. (c) Universality and stability. CCC firmly adheres on surfaces of various substrates with diverse shapes (cotton, filter paper, wood, polyurethane sponge, and even chemically inert and highly hydrophobic polyvinylidene fluoride membranes), and can withstand rinsing treatment (3000 r/min for 96 h), cyclic frost-thaw test (-18 °C ⇌ 30 °C, 90 times), and both high and low pH environments. In addition, many other reported coatings, such as carbon black, fail under similar process strain. (d) Anti-crude oil-fouling property. The CCC possesses stable superhydrophilicity and underwater superoleophobicity, which collectively endow substrates with the ability to resist fouling by oils. (e) Broad and strong light absorption. CCC can transform various substrates with diverse shapes into black materials with broadband light absorption due to its d-d transitions and rough surface. Together, these properties of CCC enable substrates with nearly any structural design to be easily transformed into photothermal materials for efficient solar steam generation. Furthermore, as a proof of concept, poplar wood is treated with CCC, achieving a water evaporation rate of ~1.8 kg m-2 h-1 (one sun), which is a record among wood-based photothermal materials.

14 SOLAR ENERGY↗

DOE OSTI2023

Organic acid solution having at least one ionic salt and at least one organic acid which is used for rare earth extraction

One or more embodiments relates to a process for extracting Rare Earth Elements (REEs) from REE-bearing underclays, claystones, shales, coal-mining waste, and waste coal. In at least one embodiment the process includes contacting the REE-bearing underclays, claystones, shales, coal-mining waste, and waste coal with an Organic Acid Solution (OAS) comprising at least one organic acid and at least one ionic salt at a predetermined ambient temperature and predetermined pH; and separating the REE from the REE-bearing underclays, claystones, shales, coal-mining waste, and waste coal, forming REE+Yttrium (REY) concentrate.

Verba, Circe↗

DOE OSTI2020

Technical Resilience Navigator

The Technical Resilience Navigator (TRN) is a systematic approach to identifying vulnerabilities with energy and water systems, and prioritizing solutions that reduce risk. The ultimate outcome of the TRN is a set of actionable resilience solutions that address the site's most important gaps in resilience and enhance the ability to maintain mission continuity. The TRN is designed to step users through this planning process, providing a framework to: assign roles and responsibilities; collect and document information and data; document key inputs and outputs for each of the TRN modules (Site Level Planning, Baseline Development, Risk Assessment, Solution Development, and Solution Prioritization); document prioritized list of resilience solutions; and track progress through the entire process. Currently "software as a service" at the listed website.

Rotondo, Julia↗

DOE OSTI2022

Compressed basis GMRES on high-performance graphics processing units

Krylov methods provide a fast and highly parallel numerical tool for the iterative solution of many large-scale sparse linear systems. To a large extent, the performance of practical realizations of these methods is constrained by the communication bandwidth in current computer architectures, motivating the investigation of sophisticated techniques to avoid, reduce, and/or hide the message-passing costs (in distributed platforms) and the memory accesses (in all architectures). This article leverages Ginkgo’s memory accessor in order to integrate a communication-reduction strategy into the (Krylov) GMRES solver that decouples the storage format (i.e., the data representation in memory) of the orthogonal basis from the arithmetic precision that is employed during the operations with that basis. Given that the execution time of the GMRES solver is largely determined by the memory accesses, the cost of the datatype transforms can be mostly hidden, resulting in the acceleration of the iterative step via a decrease in the volume of bits being retrieved from memory. Together with the special properties of the orthonormal basis (whose elements are all bounded by 1), this paves the road toward the aggressive customization of the storage format, which includes some floating-point as well as fixed-point formats with mild impact on the convergence of the iterative process. We develop a high-performance implementation of the “compressed basis GMRES” solver in the Ginkgo sparse linear algebra library using a large set of test problems from the SuiteSparse Matrix Collection. We demonstrate robustness and performance advantages on a modern NVIDIA V100 graphics processing unit (GPU) of up to 50% over the standard GMRES solver that stores all data in IEEE double-precision.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Static and Dynamic Gradient Based Directional Transportation of Neutral Molecules in Swollen Polymer Films

Abstract Materials which selectively transport molecules offer powerful opportunities for concentrating and separating chemical agents. Here, utilizing static and dynamic chemical gradients, transport of molecules within swollen crosslinked polymers is demonstrated. Using an ≈200 μm static hydroxyl to hexyl gradient, the neutral ambipolar nerve agent surrogate diethyl (cyanomethyl)phosphonate (DECP) is directionally transported and concentrated 60‐fold within 4 hours. To accelerate transport kinetics, a dynamic gradient (a “travelling wave”) is utilized. Here, the non‐polar dye pyrene was transported. The dynamic gradient is generated by an ion exchange process triggered by the localized introduction of an aqueous NaCl solution, which converts the gel from hydrophobic to hydrophilic. As the hydrophilic region expands, associated water enters the gel, and pyrene is pushed ahead of the expansion front. The dynamic gradient provides about 10‐fold faster transport kinetics than the static gradient.

Ali, Mohammad A.↗

DOE OSTI2022

Static and Dynamic Gradient Based Directional Transportation of Neutral Molecules in Swollen Polymer Films

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

A Study on Recycled Polymers Recovered from Multilayer Plastic Packaging Films by Solvent–Targeted Recovery and Precipitation (STRAP)

Multilayer plastic film use increased in multiple packaging applications due to its versatility and overall increased performance over monolayer structures. However, the performance gains from multiple layers also make recycling difficult because they contain multiple polymers that can be immiscible and burdensome to traditional mechanical recycling operations. A possible solution is the solvent-targeted recovery and precipitation (STRAP) process, but the effect on the retrieved polymer is still unknown. Here, the STRAP process is applied to two different multilayer films and samples of recovered polymers are evaluated for physical, molecular, and thermal properties. Changes in the molecular weight are not significant, but differences in thermal properties are reported along with the coprecipitation of different polymers. Solvent retention in the polymer matrix from STRAP reduced the glass transition temperature of samples, but enhanced drying recovered it. Heavy metals, such as Cd, Cr, and Pb are not detected, indicating regulatory compliance for different applications.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Use of a Pressurized Water Treatment to Prevent Cracking of Internal Gelation Sol-Gel Microspheres

Pressurized water treatments were investigated as a means to prevent cracking of internal gelation sol-gel microspheres upon drying and heating. A batch of gelled cerium oxide microspheres was prepared, split into two samples that were processed with and without a pressurized water treatment, and dried in air at room temperature. Thermal gravimetric analysis was used to compare the mass loss profiles between the two samples and to understand volatile emissions from cerium oxide microspheres during heat treatments up to 600 °C. Microspheres that were processed without a pressurized water treatment lost approximately 4.6 times more mass upon heating than microspheres that were subjected to a pressurized water treatment. Comparison of the cracking behavior of microspheres prepared with and without a pressurized water treatment indicated that microspheres subjected to a pressurized water treatment were virtually crack-free after heat treatments. Conversely, microspheres processed without a pressurized water treatment, which is typical of traditional washing processes, exhibited extensive cracking. Analysis of residues dried from pressurized water treatment effluents indicated that hexamethylenetetramine and urea, which are excess reactants from the internal gelation process, were removed from gelled microspheres during the pressurized water treatment step. Traditional processing methods for preparing internal gelation microspheres use specific feed solution and gelation parameters to reduce subsequent cracking upon drying and heating. Results from this study indicate that more aggressive gel-forming conditions may be used to produce crack-free microspheres, if a pressurized water treatment step is included after washing and before air-drying.

cerium oxide, internal gelation, microsphere, TRIS↗