Results for “recycling behavior” — Page 5

DOE OSTI2020

Structural Modifications of Single-Crystal Aragonite CaCO 3 Beginning at ~15 GPa: In Situ Vibrational Spectroscopy and X-Ray Diffraction Evidence

The structural chemistry of carbonates under mantle conditions facilitates our understanding of carbon recycling pathways in the earth’s interior. It also has impacts on the dynamics of mantle–slab interactions. Aragonite is a common calcium carbonate mineral in pelagic marine sediments. The structural chemistry of single-crystal aragonite during successive compression and the behavior of a structural H+ have been investigated by micro-vibrational spectroscopy and synchrotron X-ray diffraction techniques in diamond anvil cells. We describe a reduction of the b-axial compressibility beginning at ~15 GPa, and the related discontinuities in the first-order derivatives of the vibrational modes. The structural modifications of aragonite are manifested by mutations occurring in the pressure relations of the wavenumbers of the O-C-O bending modes, and of the bandwidth and band intensities of the measured internal and external modes. These anomalies are indicative of changes occurring in the force constant of the C-O bonds, and possibly a second-order phase transition. Besides, the [CaO 9 ] polyhedra begin to deform, possibly with some Ca-O bonds becoming elongated and the others shortening. An increase in the co-ordination number for the Ca 2+ sites could be expected under higher pressures. Additionally, the weakening of the OH modes may imply H + -loss from the aragonite lattice above 11.5 GPa.

58 GEOSCIENCES↗

DOE OSTI2023

Selective Pb 2+ removal and electrochemical regeneration of fresh and recycled FeOOH

Heavy metal pollution is a key environmental problem. Selectively extracting heavy metals could accomplish water purification and resource recycling simultaneously. Adsorption is a promising approach with a facile process, adaptability for the broad concentration of feed water, and high selectivity. However, the adsorption method faces challenges in synthesizing high-performance sorbents and regenerating adsorbents effectively. FeOOH is an environmentally friendly sorbent with low-cost production on a large scale. Nevertheless, the selectivity behavior and regeneration of FeOOH are seldom studied. Therefore, we investigated the selectivity of FeOOH in a mixed solution of Co 2+ , Ni 2+ , and Pb 2+ and proposed to enhance the capacity of FeOOH and regenerate it by using external charges. Without charge, the FeOOH electrode shows a Pb 2+ uptake capacity of 20 mg/g. After applying a voltage of –0.2/+0.8 V, the uptake capacity increases to a maximum of 42 mg/g and the desorption ratio is 70%–80%. In 35 cycles, FeOOH shows a superior selectivity towards Pb 2+ compared with Co 2+ and Ni 2+ , with a purity of 97% ± 3% in the extracts. The high selectivity is attributed to the lower activation energy for Pb 2+ sorption. The capacity retentions at the 5 th and the 35 th cycles are ca. 80% and ca. 50%, respectively, comparable to the chemical regeneration method. With industrially exhausted granular ferric hydroxide as the electrode material, the system exhibits a Pb 2+ uptake capacity of 37.4 mg/g with high selectivity. Our work demonstrates the feasibility of regenerating FeOOH by charge and provides a new approach for recycling and upcycling FeOOH sorbent.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Numerical investigation of micro-galvanic corrosion in Mg alloys: Role of the cathodic intermetallic phase size and spatial distributions

Magnesium alloys are of increasing interest in structural applications due to their low-density, moderate specific strength and stiffness, recyclability, and high damping among other properties. However, the wide-scale applicability of magnesium alloys in structural applications has been limited due to many factors including its poor corrosion resistance. In this work, a numerical investigation to simulate the micro-galvanic corrosion behavior was performed to examine the influence of size and distribution of cathodic intermetallic phase (ß-Mg17Al12) in a Mg matrix. The ratio of cathodic to anodic surface area was kept constant in each simulation condition to understand the effect of size and spacing distributions. In general, fragmentation of a larger intermetallic particle into smaller ones was found to enhance the localized current density. However, the uniform distribution of this small intermetallic phase throughout the matrix was found to reduce the overall dissolution current density and hence, pitting corrosion severity.

Beura, Vikrant↗

DOE OSTI2021

First evidence of dominant influence of E × B drifts on plasma cooling in an advanced slot divertor for tokamak power exhaust

Addressing power exhaust in tokamaks is presently recognized as one of the major remaining open issues for the development of fusion reactors. At the forefront of this endeavor is the effort to develop an advanced divertor by maximizing dissipation of plasma power and momentum inside the divertor. Here, we demonstrate, for the first time, that the electromagnetic (E × B) drifts exert a key influence on plasma and gas dynamics in a new advanced slot divertor in the DIII-D tokamak, named the small angle slot (SAS). SAS leverages the effect of drifts to achieve a highly dissipative divertor with electron temperature T e ≲ 10 eV over a wide range of plasma densities, for ion B × ∇B away from the divertor, as used for advanced tokamak operation on DIII-D. Modeling with the SOLPS-ITER code shows that for this drift direction, the E × B flow carries particles toward the outer common flux region (CFR) via the private flux region (PFR), reinforcing neutral recycling and enhancing divertor dissipation. In contrast, for the opposite field direction, the E × B flow carries particles away from the outer CFR into the PFR, offsetting the anticipated SAS geometric effects. Furthermore, this finding is an important step in the understanding of the behavior of advanced divertors for achieving a power exhaust solution for fusion reactors.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

Advanced Fuels Campaign Execution Plan

The Advanced Fuels Campaign (AFC) Execution Plan outlines the strategy, mission, scope, near-term and long-term goals, structure, and organization associated with nuclear fuels and materials research, development, and demonstration activities within the Department of Energy’s (DOE) Nuclear Fuel Cycle and Supply Chain (NFCSC) program. NFCSC has been given responsibility to identify and mature advanced fuel technologies for the DOE using a science-based approach, focused on developing a fundamental understanding of nuclear fuels and materials to drive development of integrated nuclear fuel and materials technology. This science-based approach combines theory, experiments, and multiscale modeling and simulation to achieve a predictive understanding of relevant behaviors ranging from fuel fabrication processes (and their resulting fuel microstructures) through fuel/cladding performance under irradiation (in contrast to more empirical, observation-based approaches frequently used in fuel performance modeling and fuel qualification). The traditional scope of AFC includes the evaluation and development of multiple fuel forms to support two fuel cycle options: once-through and full recycle. The word “fuel” is used generically to include conventional fuels, transmutation targets, and any associated cladding or duct materials. The once-through fuel cycle addresses advanced light water reactor fuels with enhanced performance, extended burnup, and reduced waste generation. In fiscal year (FY) 2012, AFC’s scope expanded to include research, development, and demonstration (RD&D) for light water reactor (LWR) fuels with enhanced accident tolerance. Fuel fabrication activities include the development of innovative methods to enhance process efficiencies, reduce waste, and improve control over as-fabricated fuel microstructural properties to achieve desired in-reactor performance. Using modern modeling and simulation approaches, the objective is to predict fresh fuel properties given the feedstock characteristics and fabrication process parameters. The performance-related activities include small-scale, in-reactor, and out-of-reactor phenomenological testing (distinct from, but synergistic with, integral prototypic testing) and extensive, quantitative characterization (focusing on characterization of fuel and cladding materials at the scale of microstructure) both before and after testing. Larger-scale, prototypic experiments are conducted in concert with phenomenological testing to drive a Fuel Development and Qualification program, incorporating a fundamental understanding of fuel behavior performance characteristics. Then, using the tools developed under the productive science-based approach, fuels will be optimized to meet specific performance requirements, thereby minimizing the need to repeatedly perform large-scale, integral experiments over a wide parametric range as a means of experimental exploration. Two significant initiatives are underway within AFC. First, a gap analysis completed in early FY 2019 identified critical irradiation testing needs that are lacking within the national light water reactor (LWR) fuels testbed since the shutdown of the Halden Reactor in 2018. The identified gaps are for instrumented, prototypic testing of LWR fuels, especially under boiling water reactor conditions, ramp conditions, and conditions leading to fuel failure; these needs exist for supporting current LWR fuels and their possible extension to higher burnups, but are especially urgent relative to near-term development and qualification of accident-tolerant fuels. Recommendations that resulted from the Halden Gap Analysis focused on enhancements at Advanced Test Reactor (ATR) and Transient Reactor Test Facility (TREAT) to fill gaps in testing capabilities relative to these needs. Second, a concerted effort to develop and demonstrate a systematic approach to accelerating the development, testing, and qualification of new fuel systems has been initiated. This is highlighted by a test strategy that combines the considerable advances in multiscale, mechanistic fuel modeling of recent years with a MiniFuel separate effects test program in the High Flux Isotope Reactor (HFIR) and a Fission Accelerated Steady-state Testing (FAST) semi-integral accelerated test program in ATR. This approach is being tested/demonstrated using the metallic fuel system, but if successful it is expected to be extensible to multiple fuel types and diverse applications. This document includes an overview of the NFCSC program, a definition of science-based development of nuclear fuels, near-term goals for Advanced LWR fuels (ALFs), and longer-term goals for Advanced Reactor Fuels (ARFs) RD&D. This includes the activities that will be conducted to achieve success toward the grand challenge, as well as the goals and milestones to be achieved over the next few decades of research and development. Long-term goals are based on the DOE Office of Nuclear Energ

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

Advanced Fuels Campaign Execution Plan

The Advanced Fuels Campaign (AFC) Execution Plan outlines the strategy, mission, scope, near-term and long-term goals, structure, and organization associated with nuclear fuels and materials research, development, and demonstration activities within the Department of Energy’s (DOE) Nuclear Fuel Cycle and Supply Chain (NFCSC) program. NFCSC has been given responsibility to identify and mature advanced fuel technologies for the DOE using a science-based approach, focused on developing a fundamental understanding of nuclear fuels and materials to drive development of integrated nuclear fuel and materials technology. This science-based approach combines theory, experiments, and multiscale modeling and simulation to achieve a predictive understanding of relevant behaviors ranging from fuel fabrication processes (and their resulting fuel microstructures) through fuel/cladding performance under irradiation (in contrast to more empirical, observation-based approaches frequently used in fuel performance modeling and fuel qualification). The traditional scope of AFC includes the evaluation and development of multiple fuel forms to support two fuel cycle options: once-through and full recycle. The word “fuel” is used generically to include conventional fuels, transmutation targets, and any associated cladding or duct materials. The once-through fuel cycle addresses advanced light water reactor fuels with enhanced performance, extended burnup, and reduced waste generation. In fiscal year (FY) 2012, AFC’s scope expanded to include research, development, and demonstration (RD&D) for light water reactor (LWR) fuels with enhanced accident tolerance. Fuel fabrication activities include the development of innovative methods to enhance process efficiencies, reduce waste, and improve control over as-fabricated fuel microstructural properties to achieve desired in-reactor performance. Using modern modeling and simulation approaches, the objective is to predict fresh fuel properties given the feedstock characteristics and fabrication process parameters. The performance-related activities include small-scale, in-reactor, and out-of-reactor phenomenological testing (distinct from, but synergistic with, integral prototypic testing) and extensive, quantitative characterization (focusing on characterization of fuel and cladding materials at the scale of microstructure) both before and after testing. Larger-scale, prototypic experiments are conducted in concert with phenomenological testing to drive a Fuel Development and Qualification program, incorporating a fundamental understanding of fuel behavior performance characteristics. Then, using the tools developed under the productive science-based approach, fuels will be optimized to meet specific performance requirements, thereby minimizing the need to repeatedly perform large-scale, integral experiments over a wide parametric range as a means of experimental exploration. Two significant initiatives are underway within AFC. First, a gap analysis completed in early FY 2019 identified critical irradiation testing needs that are lacking within the national light water reactor (LWR) fuels testbed since the shutdown of the Halden Reactor in 2018. The identified gaps are for instrumented, prototypic testing of LWR fuels, especially under boiling water reactor conditions, ramp conditions, and conditions leading to fuel failure; these needs exist for supporting current LWR fuels and their possible extension to higher burnups, but are especially urgent relative to near-term development and qualification of accident-tolerant fuels. Recommendations that resulted from the Halden Gap Analysis focused on enhancements at Advanced Test Reactor (ATR) and Transient Reactor Test Facility (TREAT) to fill gaps in testing capabilities relative to these needs. Second, a concerted effort to develop and demonstrate a systematic approach to accelerating the development, testing, and qualification of new fuel systems has been initiated. This is highlighted by a test strategy that combines the considerable advances in multiscale, mechanistic fuel modeling of recent years with a MiniFuel separate effects test program in the High Flux Isotope Reactor (HFIR) and a Fission Accelerated Steady-state Testing (FAST) semi-integral accelerated test program in ATR. This approach is being tested/demonstrated using the metallic fuel system, but if successful it is expected to be extensible to multiple fuel types and diverse applications. This document includes an overview of the NFCSC program, a definition of science-based development of nuclear fuels, near-term goals for Advanced LWR fuels (ALFs), and longer-term goals for Advanced Reactor Fuels (ARFs) RD&D. This includes the activities that will be conducted to achieve success toward the grand challenge, as well as the goals and milestones to be achieved over the next few decades of research and development. Long-term goals are based on the DOE Office of Nuclear Energ

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2021

A Circular Economy for Lithium-Ion Batteries Used in Mobile and Stationary Energy Storage: Drivers, Barriers, Enablers, and U.S. Policy Considerations

As large-format battery energy storage (BES) capacity increases in the United States, so will the volume of spent lithium-ion batteries (LiBs) (Bade 2019). Estimates based on a 10-year lifetime assumption found that the volume of LiBs that have reached the end of their utility for electric vehicle (EV) applications could total two million units (four million metric tons) annually by 2040 in the United States (Richa et al. 2014; Ai and Borucki 2018). Although there is currently no publicly available decommissioning or end-of-life (EoL) projection for stationary BES systems, the U.S. energy storage market is expected to grow from an annual deployment of 523 megawatts in 2013 to 7.3 gigawatts in 2025 (Wood MacKenzie and ESA 2020; Wesoff 2020). Despite potential secondary market opportunities and the potential benefits associated with the reuse/recovery of LiB material, anecdotal evidence suggests that in the United States most decommissioned LiBs from EVs are landfilled or otherwise disposed of (Steward et al. 2019; Salim et al. 2019; CPUC 2019; DTSC 2019d; NREL 2019b; Jacoby 2019; DOE 2019). The reuse of large-format LiBs is not at commercial scale and to date consists of only a handful of U.S.-led pilot projects. Similarly, less than 5% of LiBs from EVs are sent to recycling facilities in the United States (Steward et al. 2019; Jacoby 2019; America Made 2019; Patel 2017). As awareness of current practices grows, and the demand for critical LiB materials increases, U.S. industry stakeholders, regulators, and policymakers are starting to (1) consider solutions to drive and enable environmentally sustainable materials management decisions and behaviors and (2) identify barriers to a circular economy for LiBs (Figure 1). Circular economy principles (Figure 1) attempt to transition from a “take-make-consume-dispose” linear economic system to a circular system that allows for the long life, high performance, and the reuse/recovery of products and materials (Ellen MacArthur Foundation 2016). We begin this report by summarizing drivers, barriers, and enablers to a circular economy for LiBs used in mobile and stationary BES systems in the United States. We then report on our analysis of federal and state regulatory considerations that may impact the reuse/recovery and disposal of LiBs, and potential civil and criminal liabilities associated with noncompliance. We conclude by highlighting state policies and initiatives in the United States that expressly address reuse/recovery and disposal of large-format LiBs. Our results are based on legal and literature-based research and interviews with mobile and stationary BES industry stakeholders, regulators, and policymakers. While this report addresses stationary BES, as well as mobile BES, much of the information and experience with LiB decommissioning and EoL material management is derived from the increasing management of spent EV LiBs in the United States.

25 ENERGY STORAGE↗

DOE OSTI2020

Shock Initiation of PBX 9502: Material Lots 006 and 007 heated to 76 Celsius

Two shock initiation experiments have been carried out on PBX 9502 material Lots 006 and 007 heated to 76 Celsius. The purpose of these shots is to assess the reactant equation of state and shock-todetonation transition behavior relative to previously characterized lots of heated PBX 9502. PBX 9502 consists of 95% tri-amino-tri-nitro-benzene (TATB) and 5% Kel-F 800 (a copolymer derived from the monomers chlorotrifluorethylene (CTFE) and vinylidine fluoride) by weight. The experiments carried out at the TA-40 Chamber 9 gas gun facility were subject to shock pressures of 12.01 and 11.44 GPa for shots 2s-1129 and 2s-1130 respectively. These pressures resulted in run-to-detonation transitions of 7.91 and 8.73 mm from the impact plane. Unfortunately, due to a series of problems with the heating system the Lot 007 shot was subject to temperature cycling twice before the experiment was fired. The results do not indicate that this had any effect on the sensitivity of the explosive. In terms of shock sensitivity the Lot 006 and 007 PBX 9502 was found to be much less sensitive than the recycled lot 004 when heated to 76 Celsius. The data actually lies closer to the suit of ambient data on the Pop Plot.

36 MATERIALS SCIENCE↗

DOE OSTI2022

High-Fidelity Simulations of Supercritical CO2 Based Oxy-Combustion with Non-Ideal Equation of State

The supercritical carbon dioxide (sCO2) Allam-Fetvedt cycle employs high-temperature oxy-combustion using sCO2 as the working fluid, leading to a unique and challenging environment for materials. In this cycle, pressurized gaseous fuel is combusted in the presence of a hot oxidant flow containing a mixture of CO2 and oxygen and a hot CO2 diluent recycle stream at approximately 300 bar under lean combustion conditions. We present high-fidelity reacting simulations of this oxy-combustor environment and compare the results when performing simulations with ideal and non-ideal equations of state. By doing so, we identify if the combustor behavior at the regime of interest is sensitive enough to the equation of state to justify the added computational cost incurred with a non-ideal equation of state.

equation of state↗

DOE OSTI2023

Advanced biorefinery feedstock from non-recyclable municipal solid waste by mechanical preprocessing

Because of accelerated urbanization and the development of a global economy, a large quantity of municipal solid waste (MSW) has been collected and disposed of by the municipalities. Due to this drastic increase in the disposal of MSW, the need for its management is a must to preserve the environment. Currently, approximately 50% of the total MSW generated in the United States has been utilized through various recycling, combustion, and composting technologies, which means the remaining 50% is sent to landfill; this is often known as non-recyclable MSW (nMSW). As this nMSW is physically and chemically heterogenous and contains very high amounts of inorganic material, processing is required prior to using it as a biorefinery feedstock. Thus, this study focused on how mechanical preprocessing advanced the physical and chemical properties of nMSW. The physical and chemical properties were investigated in terms of particle size distribution, bulk density, ultimate and proximate analysis, and the higher heating value (HHV). The combustion properties were examined in terms of ignition temperature, peak heat release rate, and combustion efficiency. Results showed that the variability of physical and chemical properties of nMSW can be reduced by mechanical preprocessing. For example, the variability of the bulk density of the as-received nMSW was approximately 17.3% while it reduced to 5.8% when the sample size was reduced to 2 mm. Similarly, the variability of ash and HHV reduced from 49.2% to 11.0% and 13.4%–4.2%, respectively. Combustion thermograms showed that the size reduction positively improved the combustion properties. For example, 2 mm of spec sample started to ignite approximately 4 times earlier and took 6.5 folds less time to reach the peak heating rate compared to as-received nMSW. Overall, the mechanical preprocessing reduced the variability of physical and chemical properties in addition to the improvement of combustion behavior of the nMSW which is one step forward toward the biorefinery feedstock.

09 BIOMASS FUELS↗

DOE OSTI2025

Compatibilization Strategy and Mechanism for Co-stabilizing Commingled Plastics and Pyrolyzed Rubber in Asphalt

Hot mix asphalt mixture is considered the ideal approach to reuse waste plastics in high-value applications because of its very high amount of usage in highway construction. However, the differences in polarity and density between polymers and asphalt lead to polymer coalescence and therefore the poor storage stability of modified asphalt. These challenges are exalted when recycling commingled plastics. This study introduced an innovative compatibilization strategy and mechanism for co-stabilizing commingled plastics and pyrolyzed rubber in asphalt. Commingled plastics were first grafted with maleic anhydride for surface activation, followed by reactive kneading with pyrolyzed rubber and crosslinking agent to form an integrated thermoplastic elastomer (ITPE) for asphalt modification. The mechanical, thermal, and interfacial behaviors of the ITPE were evaluated through tensile testing, thermogravimetric analysis, and scanning electron microscopy. The storage stability and rheological properties of the modified binder blends were evaluated through the cigar tube test and dynamic shear rheometer testing. Results demonstrated a successful formation of imide bonds in the ITPE, which can improve the strength, ductility, and thermal stability of rubber–plastic composites. Appropriate utilization of crosslinking agents can improve both rutting and fatigue resistance of ITPE-modified asphalt with good storage stability because of the co-existence of rigid plastic and soft rubbery regimes and the formation of a crosslink network. Furthermore, excessive content of crosslinker led to severe phase separation and reduced storage stability of modified binder blends. Extra crosslinker tended to float in asphalt because of its low density and caused an excessive formation of the crosslink network in the top section of the asphalt.

asphalt binder modifiers↗

DOE OSTI2021

Role of the social factors in success of solar photovoltaic reuse and recycle programmes

By 2050, the cumulative mass of end-of-life photovoltaic (PV) modules may reach 80 Mt globally. The impacts could be mitigated by module recycling, repair and reuse; however, previous studies of PV circularity omit the consideration of critical social factors. Here we used an agent-based model to integrate social aspects with techno-economic factors, which provides a more realistic assessment of the circularity potential for previously studied interventions that assesses additional interventions that cannot be analysed using techno-economic analysis alone. We also performed a global sensitivity analysis using a machine-learning metamodel. We show that to exclude social factors underestimates the effect of lower recycling prices on PV material circularity, which highlights the relevance of considering social factors in future studies. Interventions aimed at changing customer attitudes about used PV boost the reuse of modules, although used modules can only satisfy one-third of the US demand during 2020–2050, which suggests that reuse should be complemented by recycling.

14 SOLAR ENERGY↗

DOE OSTI2026

Influence of Powder Characteristics and Processing Methods on Creep Performance of Powder Metallurgy Hot Isostatic Pressed SS316

The U.S. nuclear energy expansion goals are driving the demand for manufacturing routes that can rapidly produce large, complex, near net shape components. Powder metallurgy hot isostatic pressing (PM HIP) is an advanced manufacturing technique that can be economically scaled-up, while alleviating the supply chain challenges that forging and casting face in terms of cost and lead time constraints. This makes PM-HIP a viable technology to aid and accelerate large-scale part manufacturing for nuclear applications. However, large-scale qualification and deployment of this technology require a thorough understanding of the influence of powder feedstock quality, powder handling history, hot isostatic pressing (HIP) parameters, and subsequent heat treatment on microstructural evolution and elevated temperature mechanical performance. The present work focusses on 316 austenitic stainless steel (SS316) which is most commonly used in high temperature environments for nuclear applications Results from this study show that PM HIPed SS316 meets ASME tensile requirements at room temperature and at elevated temperature. However, creep performance of PM-HIPed SS316 remains inferior to its wrought counterpart, demonstrating that tensile performance alone is not a reliable metric for long duration high temperature integrity. Further, this report delineates powder derived microstructural features that govern creep damage, with key evidences pointing to “microstructural inheritance” from gas atomized powder feedstocks. Commercial SS316 powders of varying chemical compositions and recycling histories were studies, and the results showed large differences in elemental segregation, oxide surface layers and secondary phase distributions. Multi-scale characterization revealed segregation of chromium, molybdenum, manganese and silicon at the boundaries and the precipitation of manganese-, silicon-, and molybdenum-oxides. During HIP consolidation, these surface oxides transform into decorated prior particle boundaries (PPBs) and grain boundary inclusions that persist through conventional post-HIP solution annealing treatment. The retained oxides in post-HIP microstructures were found to influence grain growth, precipitation behavior, and ultimately creep cavitation and fracture. Such post-HIP heat treatments are therefore limited by a complex trade-off between grain growth, and oxide coarsening which aggravate creep damage by acting as nucleation sites for cavities. The objective of this work is to establish an integrated processing–structure–property framework for PM-HIP 316 stainless steel by investigating the influence of powder feedstock characteristics in pre- and post-HIP processing as well as to understand the significance of post-HIP heat treatment on microstructural evolution and creep properties. The results from this report emphasize the significance of powder feedstock integrity in improving creep performance of PM-HIPed SS316, by highlight the effect of rapid solidification, elemental segregation, oxide formation and powder recycling on microstructural defect inheritance following HIP consolidation. Rather than considering HIP processing, solution annealing, and mechanical performance independently, this report treats powder production, HIP consolidation, post-HIP thermal processing, and creep deformation as interconnected stages within a continuous metallurgical process. The resulting framework will provide a scientific basis for developing feedstock engineering strategies capable of improving long-term reliability of PM-HIP stainless steels and accelerating their qualification for advanced nuclear applications.

Ajjarapu, Pavan [Oak Ridge National Laboratory (OR↗

DOE OSTI2022

Diels–Alder Augmented Epoxies with Plasmonic Nanoparticle Fillers for Efficient Photothermal Depolymerization

Thermally reversible epoxies through the Diels–Alder (DA) reaction have been used for applications such as recycling, self-healing, and 3D printing. Depolymerization by bulk heating, however, would be a slow and inefficient process due to its low thermal conductivity. In this paper, photothermal conversion using refractory plasmonic titanium nitride (TiN) nanoparticles was employed for efficient and rapid depolymerization of reversible epoxies. TiN nanoparticles have superior thermal stability, broader light absorption, and higher light-to-heat conversion efficiency. They are also less expensive than more common plasmonic gold nanoparticles. Photothermal behavior of TiN nanoparticle-filled reversible epoxies was investigated as a function of concentration of TiN nanoparticles and as a function of the intensity of a light source. TiN nanoparticles could induce sufficient heat for depolymerization with a trace content, 0.01% by weight, under a broad-spectrum white light of intensity 1760 mW/cm 2 instead of a strong light source such as a laser. The reversible epoxies were prepared by a reaction between furan precursors and a bismaleimide compound. Crosslinking density was controlled by altering the architecture of furan precursors and the feed ratio between the furan precursor and the bismaleimide compound. These changes in chemical structure and degree of crosslinking permit the control of the thermomechanical properties of the reversible epoxy from soft elastomers to hard elastomers. Here, the reversible epoxies display a flow region at around 110 °C. Depolymerization through the retro-DA was confirmed by Fourier transform infrared spectroscopy as a function of duration at a high temperature. Light-induced removability and recyclability were demonstrated by adhesion tests using the reversible epoxy/nanoparticle composites.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Exploring Social Dynamics of Hard-Disk Drives Circularity with an Agent-Based Approach

By 2025, it is estimated that installed data storage in the U.S. will be 2.2 Zettabytes, generating about 50 million units of end-of-life hard-disk drives (HDDs) per year. The circular economy (CE) tackles waste issues by maximizing value retention in the economy, for instance, through reuse and recycling. However, the reuse of hard disk drives is hindered by the lack of trust organizations have toward other means of data removal than physically destroying HDDs. Here, an agent-based approach explores how organizations' decisions to adopt other data removal means affect HDDs' circularity. The model applies the theory of planned behavior to model the decisions of HDDs end-users. Results demonstrate that the attitude (which is affected by trust) of end-users toward data-wiping technologies acts as a barrier to reuse. Moreover, social pressure can play a significant role as organizations that adopt CE behaviors can set an example for others.

28 EE - Advanced Manufacturing Office (EE-5A)↗

DOE OSTI2022

3D printing of a recycled copolyester of terephthalic acid, cyclohexanedimethanol and tetramethylcyclobutanediol

2,2,4,4-Tetramethyl-1,3-cyclobutanediol (TMCD) is a diol monomer for terephthalic acid (TPA) class of copolyesters that can increase the glass transition temperature and mechanical strength in comparison to conventional TPA polyesters. TMCD-modified poly (1,4-cyclohexylenedimethylene terephthalate) (PCTT) has been used to manufacture consumer products with good toughness, heat resistance and clarity. However, the suitability of PCTT in 3D printing had not been evaluated. Therefore, consumer plasticware was used as the starting material to investigate the suitability of this copolyester for fused deposition modeling (FDM). Here, chemical structure, mechanical properties, thermal behavior and viscoelastic properties of this copolyester were studied. NMR spectroscopy found that the copolyester had cyclohexanedimethanol (CHDM) and TMCD contents at 76.5 mol% and 20 mol% of total diol, respectively. 280 °C printing temperature and 110 °C bed temperature were suitable conditions for printing. T g of PCTT was 103 °C (25 °C higher than PETG). Young's modulus and impact strength of printed PCTT were at least 100% and 65% higher than printed PETG, respectively. The ease of printing, superior mechanical properties and T g (103 °C) make the PCTT random copolyester highly applicable in additive manufacturing.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Plasma Surface Interactions: Predicting the Performance and Impact of Dynamic PFC Surfaces

This project focused on the development and integration of high-performance simulation tools to predict the operating behavior of Plasma-Facing Components in magnetic confinement fusion systems. A key objective at Illinois was to assess the impact of the dynamic interplay between the evolving material surface and the magnetized plasma sheath, and characterize the impact of tungsten-based PFCs on plasma contamination, including phenomena such as surface erosion, dynamic recycling of fuel species, and tritium retention, which are critical for the success of future magnetic fusion devices.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

Deep learning techniques to disentangle water use efficiency, climate change, and carbon sequestration across ecosystem scales

Focal Areas: We plan to use machine learning (ML) to disentangle the impact of climate change on plant water use efficiency (WUE) across the leaf level, structured canopy, and community ecosystem scales. Due to the complex behavior of modeling plant WUE’s connection to carbon storage (and hidden co-varying interactions) we suggest that physics-based deep learning must be utilized. The second topic we propose is, based on a better understanding of WUE response to climate change, there is a need to predict how WUE will limit or enhance the recycling of water from transpiration by vegetation back to the land surface worldwide, and thus impact water storage capacity (i.e., natural and reservoirs), using machine learning optimization techniques such as genetic algorithms.

54 ENVIRONMENTAL SCIENCES↗