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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Vapor-induced phase-separation-enabled versatile direct ink writing

Abstract Versatile printing of polymers, metals, and composites always calls for simple, economic approaches. Here we present an approach to three-dimensional (3D) printing of polymeric, metallic, and composite materials at room conditions, based on the polymeric vapor-induced phase separation (VIPS) process. During VIPS 3D printing (VIPS-3DP), a dissolved polymer-based ink is deposited in an environment where nebulized non-solvent is present, inducing the low-volatility solvent to be extracted from the filament in a controllable manner due to its higher chemical affinity with the non-solvent used. The polymeric phase is hardened in situ as a result of the induced phase separation process. The low volatility of the solvent enables its reclamation after the printing process, significantly reducing its environmental footprint. We first demonstrate the use of VIPS-3DP for polymer printing, showcasing its potential in printing intricate structures. We further extend VIPS-3DP to the deposition of polymer-based metallic inks or composite powder-laden polymeric inks, which become metallic parts or composites after a thermal cycle is applied. Furthermore, spatially tunable porous structures and functionally graded parts are printed by using the printing path to set the inter-filament porosity as well as an inorganic space-holder as an intra-filament porogen.

42 ENGINEERING↗
NASA NTRS2016

Additive Manufacturing, Design, Testing, and Fabrication: A Full Engineering Experience at JSC

I worked on several projects this term. While most projects involved additive manufacturing, I was also involved with two design projects, two testing projects, and a fabrication project. The primary mentor for these was Richard Hagen. Secondary mentors were Hai Nguyen, Khadijah Shariff, and fabrication training from James Brown. Overall, my experience at JSC has been successful and what I have learned will continue to help me in my engineering education and profession long after I leave. My 3D printing projects ranged from less than a 1 cubic centimeter to about 1 cubic foot and involved several printers using different printing technologies. It was exciting to become familiar with printing technologies such as industrial grade FDM (Fused Deposition Modeling), the relatively new SLA (Stereolithography), and PolyJet. My primary duty with the FDM printers was to model parts that came in from various sources to print effectively and efficiently. Using methods my mentor taught me and the Stratasys Insight software, I was able to minimize imperfections, hasten build time, improve strength for specific forces (tensile, shear, etc...), and reduce likelihood of a print-failure. Also using FDM, I learned how to repair a part after it was printed. This is done by using a special kind of glue that chemically melts the two faces of plastic parts together to form a fused interface. My first goal with SLA technology was to bring the printer back to operational readiness. In becoming familiar with the Pegasus SLA printer, I researched the leveling, laser settings, and different vats to hold liquid material. With this research, I was successfully able to bring the Pegasus back online and have successfully printed multiple sample parts as well as functional parts. My experience with PolyJet technology has been focused on an understanding of the abilities/limits, costs, and the maintenance for daily use. Still upcoming will be experience with using a composite printer that uses FDM technology to print plastic while laying an internal filament of Kevlar or carbon-fiber inside the printed material. It has been incredible being exposed to this range of technologies and I feel very fortunate to be ready for virtually any kind of printing technology I come across in the future. Design work played a part in my internship this term as well. Working with Hai Nguyen, I was able to design a set of testing tips and a test frame for use with an Arcjet. The testing tips will be made of several different materials that will possibly be used in the heat shield of the Orion space craft. These designs included technical drawings that were presented to the fabrication shop. The frame design was created from 80/20 (a popular brand of frame construction equipment) and included an order form with pricing for fabrication. An independent design was also done for the virtual reality lab. This design was to create a hand-controller based on a previous design. This final design was sent directly to a 3D printer without technical drawings. Overall, my design work has given me experience with using 80/20, helped improve my CAD (Computer Aided Design) proficiency, and increased my knowledge of how to set up technical drawings for fabrication. The final role I have played in this internship has been to assist with testing of the inflatable technology materials working Khadijah Shariff. I began the internship assisting with permeability testing with the initial plan to continue the testing independently after training. Unfortunately, the testing apparatus suffered a technical failure and had funding pulled which cancelled that portion of the project. Further testing with inflatable technology continued with tensile testing of various stitching methods. This testing took place over a two-days and concluded successfully. Final testing was to be more tensile testing but of straps used to connect various inflatable sections. Unfortunately, the needed grips for the tensile tests could not be located and put the testing on hold. It is possible this round of testing will still take place by the end of the internship if the grips can be found. Overall, this portion of the internship has helped me become familiar with one kind of permeability test as well as a popular tensile/compression testing machine. Finally, I also had the chance to be trained using a metal lathe for making very small tips for a soldering iron. These tips will be used to melt threaded brass inserts into 3D printed plastic. Working with James Brown, I was able to successfully machine a brass rod down to as little as 0.064 inches plus or minus 0.001 inches. It was very rewarding to learn how to best use the machine and become familiar with a skill that will undoubtedly be used again in the future. I have been told by several professional engineers that learning to use a lathe and mill will be invaluable skills in the field. This knocks 50 percent of that goal off and I look forward to learning the mill at some point in the future. As is apparent with this list of projects, my internship was not focused on a single over-arching goal. Instead, I was able to gain experience in a myriad of very different areas. I feel like my time here was spent bouncing from one project to the next. Though sometimes difficult to switch gears, it was very rewarding to be a part of so much in so little time. My career and education will be positively impacted by what I have learned at JSC. My experience with 3D printing has improved my ability to handle many issues that may come up in the future with multiple different technologies. The design work I took part in, especially creating technical drawings, will help me better present designs to any engineer or shop I will encounter. My testing experience has helped me become familiar with a popular kind of tensile test machine that will likely be similar to the kinds I will encounter in the future. Finally, my experience with fabrication has given me a rare opportunity, as an engineer, to take part in the fabrication of a part. This experience will help me better tailor my future designs for the manufacturing process and has given me an appreciation for detailed/delicate machining work. My experience at JSC has been successful and will continue to assist me for a long time within the engineering field.

Zusack, Steven↗
DOE OSTI2021

A Graded, Porous Composite of Natural Biopolymers and Octacalcium Phosphate Guides Osteochondral Differentiation of Stem Cells

Abstract Lesions involving the osteochondral unit are difficult to treat. Biomimetic scaffolds are previously shown as promising alternative. Such devices often lack multiple functional layers that mimic bone, cartilage, and the interface. In this study, multilayered scaffolds are developed based on the use of natural extracellular matrix (ECM)‐like biopolymers. Particular attention is paid to obtain a complex matrix that mimics the native osteochondral transition. Porous, sponge‐like chitosan‐collagen‐octacalcium phosphate (OCP) scaffolds are obtained. Collagen content increases while the amount of OCP particles decreases toward the cartilage layer. The scaffolds are bioactive as a mineral layer is deposited containing hydroxyapatite at the bony side. The scaffolds stimulate proliferation of human adipose‐derived mesenchymal stem cells, but the degree of proliferation depends on the cell seeding density. The scaffolds give rise to a zone‐specific gene expression. RUNX2, COL1A1, BGLAP, and SPP1 are upregulated in the bony layer of the scaffold. SOX9 is upregulated concomitant with COL2A1 expression in the cartilage zone. Mineralization in presence of the cells is prominent in the bone area with Ca and P steadily increasing over time. These results are encouraging for the fabrication of biomimetic scaffolds using ECM‐like materials and featuring gradients that mimic native tissues and their interface.

Amann, Elisabeth↗
DOE OSTI2018

Assessment and Response of Treated Cocos nucifera Reinforced Toughened Epoxy Composite Towards Fracture and Viscoelastic Properties

The current research work is dedicated to addressing the fibre orientation problem and environmental issues through the development of micron-sized coir particle reinforced epoxy composite with enhanced fracture toughness and viscoelastic properties. A ‘specific grade’ standard epoxy adhesive based polymer composite is produced with reinforcement of surface modified coir particle filler. The surface modification on raw coir filler is carried out by NaOH and confirmed by Fourier transform infrared spectroscopy (FTIR), X-ray diffractogram and thermogravimetric analysis (TGA). The reduced intensity of hydroxide functional group as well as the enhanced thermal stability of surface modified coir filler is observed by FTIR and TGA respectively. The properties of produced composite samples are investigated by tensile test with low to high strain rate, fracture toughness test and dynamic mechanical analysis. The investigation revealed an improvement in tensile strength, fracture toughness and storage modulus values of toughened coir–epoxy composite with filler loading. The maximum value of ultimate tensile strength, modulus of elasticity and fracture toughness were 27.58 MPa, 0.738 GPa and 1.792 MPa m{sup 1/2}. The constraints like strain rate and filler content demarcated some critical effects on tensile strength, Young’s modulus and modulus of rupture. The research work suggests the applicability of the developed material as household items, replacement of timber product for indoor and outdoor decorations.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2018

Multiscale topology optimization using neural network surrogate models

In this study, we are concerned with optimization of macroscale elastic structures that are designed utilizing spatially varying microscale metamaterials. The macroscale optimization is accomplished using gradient-based nonlinear topological optimization. But instead of using density as the optimization decision variable, the decision variables are the multiple parameters that define the local microscale metamaterial. This is accomplished using single layer feedforward Gaussian basis function networks as a surrogate models of the elastic response of the microscale metamaterial. The surrogate models are trained using highly resolved continuum finite element simulations of the microscale metamaterials and hence are significantly more accurate than analytical models e.g. classical beam theory. Because the derivative of the surrogate model is important for sensitivity analysis of the macroscale topology optimization, a neural network training procedure based on the Sobolev norm is described. Since the SIMP method is not appropriate for spatially varying lattices, an alternative method is developed to enable creation of void regions. Lastly, the efficacy of this approach is demonstrated via several examples in which the optimal graded metamaterial outperforms a traditional solid structure.

42 ENGINEERING↗
DOE OSTI2021

A Risk-Informed Performance-Based Methodology to Manage Fire Protection Systems in Nuclear Facilities

Fire protection systems (FPSs) and features are installed in U.S. Department of Energy (DOE) Hazard Category 1, 2, or 3 nuclear facilities to protect property (maximum possible fire loss thresholds), life, and nuclear safety (i.e., structures, systems, and components). These FPSs and features are designed and maintained in accordance with the prescriptive guidance provided in applicable building codes and National Fire Protection Association codes and standards. Management, operations, and maintenance activities of FPSs involve significant effort. A DOE facility’s documented safety analysis or other safety basis document could also rely on FPSs to provide either a safety significant or safety class function to mitigate fire hazards and minimize radiological consequences. In some cases, the designation of safety significant or safety class may be determined to provide a layer of defense-in-depth to minimize nuclear safety risks independent of the fire risk. DOE standards allow the use of performance-based design alternatives developed by the fire industry but do not consider the defense-in-depth layers of protection provided in DOE facilities to prevent or mitigate the risks associated with unintended release of radioactive materials into the environment. Pacific Northwest National Laboratory developed a decision-making methodology tailored for DOE non-reactor nuclear facilities to manage FPSs and features by integrating nuclear safety risk insights into a performance-based analysis. This risk-informed, performance-based (RIPB) methodology can be used to provide the technical basis for classifying an FPS as safety class and safety significant, tailoring administrative controls (e.g., technical safety requirements), and ranking the importance of FPSs to prioritize maintenance, upgrades, and replacement activities. The RIPB methodology is a graded approach to inform DOE facility owners and Fire Protection Program managers of the most risk-significant FPSs and equipment, and those systems would be cost-beneficial to relax rigor if there is a need to re-design the FPS coverage or deviate from DOE and National Fire Protection Association standards for those systems that would be less significant. This paper describes the framework used to develop the RIPB methodology and the outcome of implementing this methodology in a use-case nuclear facility. This paper also discusses the impact to DOE policies and standards and the safety margins and defense-in-depth measures credited in nuclear safety assessments in a facility’s documented safety analysis and the benefits of implementing an RIPB methodology in lieu of a prescriptive method to comply with fire protection requirements.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2023

Vibration Analysis of a Unimorph Nanobeam with a Dielectric Layer of Both Flexoelectricity and Piezoelectricity

In this study, for the first time, free and forced vibrational responses of a unimorph nanobeam consisting of a functionally graded base, along with a dielectric layer of both piezoelectricity and flexoelectricity, is investigated based on paradox-free local/nonlocal elasticity. The formulation and boundary conditions are attained by utilizing the energy method Hamilton’s principle. In order to set a comparison, the formulation of a model in the framework of differential nonlocal is first presented. An effective implementation of the generalized differential quadrature method (GDQM) is then utilized to solve higher-order partial differential equations. This method can be utilized to solve the complex equations whose analytic results are quite difficult to obtain. Lastly, the impact of various parameters is studied to characterize the vibrational behavior of the system. Additionally, the major impact of flexoelectricity compared to piezoelectricity on a small scale is exhibited. The results show that small-scale flexoelectricity, rather than piezoelectricity, is dominant in electromechanical coupling. One of the results that can be mentioned is that the beams with higher nonlocality have the higher voltage and displacement under the same excitation amplitude. The findings can be helpful for further theoretical as well as experimental studies in which dielectric material is used in smart structures.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Consideration of Decabromodiphenyl Ether Flame Retardant in Thermal and Radiation Aging of Crosslinked Polyethylene Cable Insulation

Decabromodiphenyl ether (decaBDE) has been used as a flame-retardant additive in nuclear-grade electrical cable insulation. However, decaBDE has been identified as a persistent, bioaccumulative and toxic (PBT) substance, leading to regulatory scrutiny. On January 6, 2021, the Environmental Protection Agency (EPA) published a final rule to phase out decaBDE. The 2021 rule set a two-year compliance deadline for “processing and distribution in commerce of decaBDE for use in wire and cable insulation in nuclear power generation facilities.” In recognition of industry concerns following a sudden discontinuation of decaBDE-containing Class 1E wire and cable essential for nuclear power operations and the time needed for qualifying the individual components using the alternative insulation technology, an extended compliance deadline was set in the finalized amendments to the 2021 rule as published by the Environmental Appeals Board on November 12, 2024. The 2024 rule set the compliance deadline for processing and distributing decaBDE-containing wire and cable insulation until the end of the service life of these materials. Since decaBDE has long been relied upon as the flame retardant in one of the most common cross-linked polyethylene (XLPE) nuclear cable insulation formulations, RSCC Firewall III insulation, questions have naturally arisen regarding whether changes in cable performance might be expected for XLPE containing a decaBDE alternative, especially for safety-related cables that must perform their safety function in a design basis event such as a loss of coolant accident.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2018

Review Article: Stress in thin films and coatings: Current status, challenges, and prospects

The issue of stress in thin films and functional coatings is a persistent problem in materials science and technology that has congregated many efforts, both from experimental and fundamental points of view, to get a better understanding on how to deal with, how to tailor, and how to manage stress in many areas of applications. With the miniaturization of device components, the quest for increasingly complex film architectures and multiphase systems and the continuous demands for enhanced performance, there is a need toward the reliable assessment of stress on a submicron scale from spatially resolved techniques. Also, the stress evolution during film and coating synthesis using physical vapor deposition (PVD), chemical vapor deposition, plasma enhanced chemical vapor deposition (PECVD), and related processes is the result of many interrelated factors and competing stress sources so that the task to provide a unified picture and a comprehensive model from the vast amount of stress data remains very challenging. This article summarizes the recent advances, challenges, and prospects of both fundamental and applied aspects of stress in thin films and engineering coatings and systems, based on recent achievements presented during the 2016 Stress Workshop entitled “Stress Evolution in Thin Films and Coatings: from Fundamental Understanding to Control.” Evaluation methods, implying wafer curvature, x-ray diffraction, or focused ion beam removal techniques, are reviewed. Selected examples of stress evolution in elemental and alloyed systems, graded layers, and multilayer-stacks as well as amorphous films deposited using a variety of PVD and PECVD techniques are highlighted. Based on mechanisms uncovered by in situ and real-time diagnostics, a kinetic model is outlined that is capable of reproducing the dependence of intrinsic (growth) stress on the grain size, growth rate, and deposited energy. The problems and solutions related to stress in the context of optical coatings, inorganic coatings on plastic substrates, and tribological coatings for aerospace applications are critically examined. This review also suggests strategies to mitigate excessive stress levels from novel coating synthesis perspectives to microstructural design approaches, including the ability to empower crack-based fabrication processes, pathways leading to stress relaxation and compensation, as well as management of the film and coating growth conditions with respect to energetic ion bombardment. Future opportunities and challenges for stress engineering and stress modeling are considered and outlined.

36 MATERIALS SCIENCE↗
DOE OSTI2023

A novel method for quantifying irradiation damage in nuclear graphite using Raman spectroscopy

Raman spectroscopy has long been used in studying irradiation damage in carbon/graphite materials. It is however unclear if the measurements from different types of materials are directly comparable. Further, decoupling the contribution from irradiation temperature and fluence to the total damage in nuclear graphite possessing irradiation damage gradient is currently not readily feasible as it requires a complete set of test reactor irradiation experiments over the relevant temperature and fluence range. A novel methodology has therefore been proposed and developed to quantify total irradiation damage evolution at crystal level based on graphite Raman G-band position shift. Specifically, G-band positions derived from a large number of spectra collected from the fractured surface of microfine-grained POCO ZXF-5Q graphite possessing proton irradiation damage gradient were plotted with open literature Raman data on HOPG, BEPO (AXGP graphite), PCEA and IG-110 graphite as a function of dpa. The total damage level within 2σ beam radius in this POCO graphite was estimated to be equivalent to ~2–5 dpa at ~350–370 °C. Derived G-band positions were then mapped to the three-stage amorphization trajectory model indicating beam centre area has entered the second stage, i.e., transitioning from nanocrystalline graphite into amorphous carbon. G-band position relative shift (ΔG) curve with a ‘turn-around’ peak as a function of total damage can be used for in-service lifetime prediction. Importantly, the developed methodology has the potential to ‘unify’ total damage levels across different grades of nuclear graphite caused by ion, neutron and proton irradiation at different temperatures.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Determination of neutron irradiation temperatures of SiC using electrical resistivity method

The irradiation temperature of silicon carbide (SiC) was determined post-irradiation by examination of the recovery of the electrical resistivity due to thermal annealing in a rapid heating/cooling optical furnace. High-purity, high-resistivity grade SiC is routinely used as a passive temperature monitor in neutron irradiation studies at the High Flux Isotope Reactor (HFIR), and this paper presents an alternative automated technique for determination of the irradiation temperature the SiC experienced. Neutron collisions with the atoms results in displaced lattice atoms (interstitials) that act as electron donors yielding a significant decrease in electrical resistivity. The irradiation defects become thermodynamically unstable and start to recombine, when annealed above the irradiation temperature, resulting in a recovery of the electrical resistivity. The resistivity is measured at a fixed elevated temperature above ambient, which is below the target irradiation temperature. When the resistivity is plotted as a function of annealing temperatures, a clear increase is observed due to the recovery of irradiation defects. We have demonstrated that this electrical resistivity measurement of SiC is effective to determine irradiation temperature of SiC. In conclusion, energy levels of various defects in SiC were calculated from Arrhenius plots of electrical conductivity versus inverse temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Towards a Circular Economy for PET Bottles in the US

The United States generates the most plastic waste of any country. Along with that GHG emissions from the global plastic economy are expected to increase to 15% of the global carbon budget by 2050. It is imperative that plastic recycling is made a reality to reduce both plastic pollution in the environment and GHG emissions. A portfolio of end-of-life strategies must be implemented to minimize environmental impacts and retain valuable plastic material, but it is challenging to compare options that generate products with different utility and lifetime. Plastic use reduction, reuse and recycling are thus increasingly important, but making informed policy and research decisions within this space can be challenging given the diverse range of available solutions. The novel analysis framework, Plastic Parallel Pathways Platform (4P) has been equipped with consequential life cycle assessment, techno-economic analysis, and a plastic circularity indicator to estimate the greenhouse gas (GHG) emissions, circularity, and cost of polyethylene terephthalate (PET) down-cycling to lower-quality resin, closed-loop recycling to food-grade PET bottles, up-cycling to fiber-reinforced plastic (FRP), and conversion to non-plastic products (electricity, oil) on a United States economy-wide basis. Integrating system dynamics into this robust plastics model that already incorporates techno-economics, circularity, and environmental impacts will enable identification of key bottlenecks between manufacturers, waste sorters, and reclaimers that currently prevent rapid decarbonization of the plastics economy. System dynamics (SD) explore the evolution of activities and technologies based on changed macro parameters such as plastic demand and supply, market shifts, and cross-sectoral interactions. This project particularly aims to explore the interplay between, waste collection, plastic waste sorting, recycling, and manufacturing, as well as the effect of plastic bale quality and plastic reuse initiatives on the surrounding process stages. This functionality will facilitate combinatory analysis in which a portfolio of end-of-life pathways are assessed simultaneously, with the exact makeup of that portfolio affected by parameters such as technology scales, resource constraints, and waste mitigation efforts. Integrating SD with the 4P framework enables analyzing the effect of increased revenue and reinvestment into improving process efficiencies, sorting and collection quantities. Through that, market effects of increased recycled resin availability can be studied for the plastics systems model for the US. The results will help identify technical or economic bottlenecks that currently limit efforts to decarbonize the U.S. plastics economy.

circular economy↗
DOE OSTI2024

Towards a Circular Economy for PET Bottles in the U.S. - 4P Model

The United States generates the most plastic waste of any country. Along with that GHG emissions from the global plastic economy are expected to increase to 15% of the global carbon budget by 2050. It is imperative that plastic recycling is made a reality to reduce both plastic pollution in the environment and GHG emissions. A portfolio of end-of-life strategies must be implemented to minimize environmental impacts and retain valuable plastic material, but it is challenging to compare options that generate products with different utility and lifetime. Plastic use reduction, reuse and recycling are thus increasingly important, but making informed policy and research decisions within this space can be challenging given the diverse range of available solutions. The novel analysis framework, Plastic Parallel Pathways Platform (4P) has been equipped with consequential life cycle assessment, techno-economic analysis, and a plastic circularity indicator to estimate the greenhouse gas (GHG) emissions, circularity, and cost of polyethylene terephthalate (PET) down-cycling to lower-quality resin, closed-loop recycling to food-grade PET bottles, up-cycling to fiber-reinforced plastic (FRP), and conversion to non-plastic products (electricity, oil) on a United States economy-wide basis. Integrating system dynamics into this robust plastics model that already incorporates techno-economics, circularity, and environmental impacts will enable identification of key bottlenecks between manufacturers, waste sorters, and reclaimers that currently prevent rapid decarbonization of the plastics economy. System dynamics (SD) explore the evolution of activities and technologies based on changed macro parameters such as plastic demand and supply, market shifts, and cross-sectoral interactions. This project particularly aims to explore the interplay between, waste collection, plastic waste sorting, recycling, and manufacturing, as well as the effect of plastic bale quality and plastic reuse initiatives on the surrounding process stages. This functionality will facilitate combinatory analysis in which a portfolio of end-of-life pathways are assessed simultaneously, with the exact makeup of that portfolio affected by parameters such as technology scales, resource constraints, and waste mitigation efforts. Integrating SD with the 4P framework enables analyzing the effect of increased revenue and reinvestment into improving process efficiencies, sorting and collection quantities. Through that, market effects of increased recycled resin availability can be studied for the plastics systems model for the US. The results will help identify technical or economic bottlenecks that currently limit efforts to decarbonize the U.S. plastics economy.

carbon↗
DOE OSTI2024

Towards a Circular Economy for PET Bottles in the U.S. - 4P Framework

The United States generates the most plastic waste of any country. Along with that GHG emissions from the global plastic economy are expected to increase to 15% of the global carbon budget by 2050. It is imperative that plastic recycling is made a reality to reduce both plastic pollution in the environment and GHG emissions. A portfolio of end-of-life strategies must be implemented to minimize environmental impacts and retain valuable plastic material, but it is challenging to compare options that generate products with different utility and lifetime. Plastic use reduction, reuse and recycling are thus increasingly important, but making informed policy and research decisions within this space can be challenging given the diverse range of available solutions. The novel analysis framework, Plastic Parallel Pathways Platform (4P) has been equipped with consequential life cycle assessment, techno-economic analysis, and a plastic circularity indicator to estimate the greenhouse gas (GHG) emissions, circularity, and cost of polyethylene terephthalate (PET) down-cycling to lower-quality resin, closed-loop recycling to food-grade PET bottles, up-cycling to fiber-reinforced plastic (FRP), and conversion to non-plastic products (electricity, oil) on a United States economy-wide basis. Integrating system dynamics into this robust plastics model that already incorporates techno-economics, circularity, and environmental impacts will enable identification of key bottlenecks between manufacturers, waste sorters, and reclaimers that currently prevent rapid decarbonization of the plastics economy. System dynamics (SD) explore the evolution of activities and technologies based on changed macro parameters such as plastic demand and supply, market shifts, and cross-sectoral interactions. This project particularly aims to explore the interplay between, waste collection, plastic waste sorting, recycling, and manufacturing, as well as the effect of plastic bale quality and plastic reuse initiatives on the surrounding process stages. This functionality will facilitate combinatory analysis in which a portfolio of end-of-life pathways are assessed simultaneously, with the exact makeup of that portfolio affected by parameters such as technology scales, resource constraints, and waste mitigation efforts. Integrating SD with the 4P framework enables analyzing the effect of increased revenue and reinvestment into improving process efficiencies, sorting and collection quantities. Through that, market effects of increased recycled resin availability can be studied for the plastics systems model for the US. The results will help identify technical or economic bottlenecks that currently limit efforts to decarbonize the U.S. plastics economy.

circular economy↗
DOE OSTI2018

Kinetic Modeling of a Silicon Refining Process in a Moist Hydrogen Atmosphere

We developed a kinetic model that considers both silicon loss and boron removal in a metallurgical grade silicon refining process. This model was based on the hypotheses of reversible reactions. The reaction rate coefficient kept the same form but error of terminal boron concentration could be introduced when relating irreversible reactions. Experimental data from published studies were used to develop a model that fit the existing data. At 1500 °C, our kinetic analysis suggested that refining silicon in a moist hydrogen atmosphere generates several primary volatile species, including SiO, SiH, HBO, and HBO{sub 2}. Using the experimental data and the kinetic analysis of volatile species, we developed a model that predicts a linear relationship between the reaction rate coefficient k and both the quadratic function of p(H{sub 2}O) and the square root of p(H{sub 2}). Moreover, the model predicted the partial pressure values for the predominant volatile species and the prediction was confirmed by the thermodynamic calculations, indicating the reliability of the model. We believe this model provides a foundation for designing a silicon refining process with a fast boron removal rate and low silicon loss.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Advancements in Development and Testing of Thermal Power Dispatch Simulators

Flexible plant operations and generation (FPOG) offer nuclear power plants (NPPs) the chance to leverage alternative, non-electric revenue streams while ensuring their continued role as reliable, clean, and constant sources of baseload electrical power. The excess thermal energy generated from NPPs during periods of low electricity demand can be channeled as raw materials to numerous industrial processes via a thermal power dispatch (TPD) system. Hydrogen production via high-temperature steam electrolysis (HTSE) is an optimal use case based on technical and economic feasibility. Researchers at Idaho National Laboratory (INL) have conducted previous works that developed and implemented TPD system models within the GSE Solutions Generic Pressurized Water Reactor (GPWR) simulator to support human-in-the-loop (HITL) scenario-based evaluations. The first part of this report documents modifications made to the GPWR TPD model and HMI from the previous iteration in line with a new Sargent and Lundy (S&L) TPD design with an automatic control system. The was done in collaboration with Westinghouse using their three-loop pressurizer water reactor (W3LPWR) simulator which contains an industrial grade automatic control system for the TPD. This was installed in the Human Systems Simulation Laboratory (HSSL) at INL. The second part of the report documents findings from an all-hands-on-deck integration and verification workshop that was conducted in the HSSL over several days. The research team comprised INL human factors and TPD experts, a nuclear engineer from GSE Solutions who implemented the revised TPD model for GPWR, the human-machine interface (HMI) prototyping and human factors team from the University of Idaho, and personnel with operations experience with pressurized water reactors. The workshop provided time and expertise to conduct the final activities to bring the operations, HMI, and simulator into a functional state. The goals of the integration and verification workshop were: 1. to install the revised GPWR TPD model into the HSSL 2. verify the TPD HMI prototype was functional 3. integrate the HTSE Simulink model to GPWR. 3. Issues were identified for resolution, but overall the workshop accomplished its goal to integrated and verify the majority of the intended functional. Future work will resolve the identified issues and use the integrated simulation to support an evaluation and demonstration in the next fiscal year.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Synthetic Band Structure Engineering of Graphene Using Block Copolymer-Templated Dielectric Superlattices

Engineering the electronic band structure of two-dimensional (2D) materials by imposing spatially periodic superlattice (SL) potentials opens a pathway to unconventional electronics. Nanopatterning the gate electrode or surface dielectric near 2D crystals provides a powerful strategy for realizing electrostatically tunable “remote” SLs with flexibility in lattice design. Here, we demonstrate the effectiveness of block copolymer (BCP)-templated dielectric nanopatterns for fabricating etch-free high-grade metal oxide SLs. Alumina (AlO x ) nanopatterns with hexagonal symmetry and a 38 nm SL wavelength are produced as a model material by directly converting a self-assembled BCP film via block-selective vapor phase infiltration. Despite micrometer-scale rotational disorder inherent to BCP self-assembly, electronic transport measurements of graphene reveal replica Dirac points at zero field and Hofstadter mini-gaps under finite magnetic fields. These results indicate the successful formation of remote SL potentials in graphene resulting from optimized AlO x nanopattern fabrication to achieve consistent lattice symmetry and periodicity at a macroscopic scale. The findings of this study, combined with the versatile, scalable, and cost-effective nature of BCP nanopatterning, highlight the potential of BCP-templated nanostructures for remote SL engineering in 2D crystals.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Growth of Cd 0.9 Zn 0.1 Te 1-y Se y Single Crystals for Room Temperature Gamma-Ray Detection

Quaternary Cd 0.9 Zn 0.1 Te 1-y Sey (CZTS) single crystals, a novel room-temperature nuclear radiation detector semiconductor material, have been grown using a modified vertical Bridgman method (VBM) and a travelling heater method (THM). The percentage concentration of selenium in the VBM-grown crystal was 3% and that in the THM-grown crystal was 2%. While the THM Frisch collar detector (4.4 × 4.4 × 10.7 mm 3 ) produced a highly resolved pulse height spectra (PHS) with a resolution of ~1.06% for 662-keV gamma rays without any correction, the VBM-grown detector (10 × 10 × 2 mm 3 ) offered a high energy resolution of ~2% after application of a digital biparametric correction. The high-resolution performance of these detectors has been attributed to the addition of Se in the Cd 0.9 Zn 0.1 Te (CZT) matrix. Ab-initio calculations based on density functional theory (DFT) also confirmed that the addition of Se in the CZT matrix helps to reduce the formation of TeCd and the TeZn anti-sites. The VBM-grown crystals were characterized using powder x-ray diffraction (XRD) and energy dispersive x-ray spectroscopy (EDS). While XRD results revealed sharp diffraction peaks confirming the crystalline nature of the grown crystal, the EDS results confirmed the targeted stoichiometry of the elemental composition. The bulk resistivity of the grown crystal was calculated to be ~3 × 10 10 Ω-cm from current-voltage characteristics recorded at room temperature in a planar configuration, ensuring that the grown CZTS crystals have low dark current as required for detector-grade crystals.

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