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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Historical and Future Learning for the New Era of Multi-Terawatt Photovoltaics

Solar photovoltaics (PV) is entering a new era of multi-terawatt deployment, with 2 TW already in service and more than 75 TW predicted in many scenarios by 2050. This next era has been enabled by over five decades of cumulative advances in PV module cost reduction, performance and reliability. The current scale of deployment also introduces new needs, opportunities and challenges. In this Perspective we frame a path forwards based on learning, broadly defined as a combination of expansion of knowledge and advances through research and development, experience and collaboration. We discuss historical topics where learning has driven PV deployment until now, and emerging areas that are required to sustain high levels of future deployment. We expect progress to continue in terms of module price, performance and reliability, driven by advances in PV cell and module design, the emergence of tandem devices and increased focus on extending module lifetimes. Large-scale deployment also means large-scale sustainability and responsibility. We therefore posit that additional metrics, such as the impact on global CO2 emissions, resource consumption and design for reuse and recycling, will become increasingly important to the PV industry and provide opportunities for further learning.

14 SOLAR ENERGY↗
DOE OSTI2025

Catalytic Difunctionalization of Cyclic Dienes: Direct Entry to Novel ROMP Monomers

We developed a catalytic platform to convert simple hydrocarbon feedstocks into valuable, tunable materials by leveraging nickel-catalyzed difunctionalization of cyclic dienes to access a novel class of cyclic alkene monomers. These monomers undergo ring-opening metathesis polymerization (ROMP) to yield sequence-controlled polymers with defined stereochemistry. Through mechanistic studies and catalyst optimization, we established a scalable, gram-level synthesis for selective diarylation, and expanded the reaction scope to include arylalkylation through rationally tuning the organoboron coupling partner. The resulting polymers were systematically studied to understand how steric, electronic, and stereochemical features influence polymerization behavior and bulk material properties. Functionalized derivatives bearing sulfonated groups were explored as proton-exchange membranes, and chemical recycling pathways were developed to recover monomers from the final materials. This work bridges small-molecule catalysis and macromolecular design, enabling access to tunable, recyclable polymers from abundant hydrocarbon starting materials.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Circular Economy for Photovoltaics

NREL is working to enhance the sustainability of photovoltaic (PV) systems by increasing the energy these systems produce over their lifetimes, reducing the energy and materials consumed in their manufacture and installation, and enabling reuse or recycling. These efforts are designed to help transform the "linear economy" - where materials are simply used and disposed - into a circular one.

Circular economy↗
DOE OSTI2022

Performance Advantaged ..beta..-Ketone Containing Polymers - Benefits in Manufacturing, Performance, and End-of-Life

Biomass derived chemicals can possess extended functionality, often in the form of heteroatoms like oxygen and nitrogen, that can enable performance advantaged properties in emergent materials. These performance advantages can manifest in multiple ways such as reduced manufacturing intensity, better performance, or enhanced end-of-life options. One illustrative example of this concept is ..beta..-ketoadipic acid (..beta..KA), a C6 dicarboxylic acid with a ketone in its backbone. ..beta..KA can be obtained via biological cultivation from aromatic compounds, sugars, and even waste plastics. When ..beta..KA is implemented into polymers, namely nylons, in place of adipic acid the overall material properties are increased. Specifically, the glass transition temperature (which is the measurement at which temperature a plastic softens) is increased by 69 degrees C and the water permeability is reduced by 20%. Molecular dynamic (MD) simulations reveal that the ..beta..-ketone in ..beta..KA leads to restricted movement across multiple backbone carbons when compared to adipic acid. Furthermore, MD simulations reveal that the ..beta..-ketone, when compared to no-ketone or an a-ketone, can lead to an increase in hydrogen bonding between neighboring chains. Both phenomena may help explain the molecular origin of the increases in polymer performance. When implemented into polyesters, namely PET, ..beta..KA can maintain the requisite performance while enabling enhanced degradation. Aside from performance advantages in thermomechanical performance, the production of ..beta..KA also is advantaged in its manufacturing. Although estimates for the minimum selling price (MSP) of ..beta..KA exceed adipic acid the manufacture of ..beta..KAwould reduce supply chain energy and GHG emissions by >50% and >30% respectively. Further TEA analysis reveals that the MSP of ..beta..KA is primarily driven by the feedstock cost while the capital expenditures are driven largely by fermentation costs. Overall, the work presented within will be illustrative of how biomass derived molecules, namely ..beta..KA, can manifest performance advantages across multiple benchmarks and may enable a path to market for biomass-derived materials.

ADVANCED PROPULSION SYSTEMS,BIOMASS FUELS↗
DOE OSTI2026

Dynamic Diketoenamine Crosslinking Unlocks Vinyl Polymer Vitrimers From β ‐Triketone Chemistry

Covalent adaptable networks (CANs) offer a compelling strategy to unite the mechanical robustness of thermosets with the reprocessability of thermoplastics, yet achieving simultaneous durability, processability, and true recyclability remains challenging. We introduce diketoenamine (DKE) vitrimers derived from β-triketone methacrylate monomers and demonstrate how rational monomer design dictates network processability, viscoelasticity, and recyclability. By systematically varying the spacer length between the β-triketone (TK) moiety and the polymer backbone, we identify a key structure–property relationship that dictates vitrimer behavior. Networks bearing TK pendants minimally displaced from the backbone suppress creep but exhibit limited stress relaxation, whereas extended spacers yield lower glass transition temperatures, higher effective crosslink densities, and efficient stress dissipation, enabling optical transparency and reprocessability. Extending this platform to ultra-high molecular-weight prepolymers introduces physical entanglements as secondary crosslinks, further enhancing dimensional stability without compromising processability. Both mechanical and chemical recycling validate the closed-loop circularity of these materials. Furthermore, these results establish TK methacrylates as a versatile platform for designing high-performance vitrimers that integrate durability, reprocessability, and true closed-loop recyclability.

closed-loop recyclability↗
DOE OSTI2022

Vitrification of Hanford Tank Wastes for Condensate Recycle and Feed Composition Changeover Testing (Rev. 1)

During the vitrification of Hanford Site nuclear waste at the Waste Treatment and Immobilization Plant (WTP), which is a part of the safe and efficient retrieval, treatment, and disposal mission of the U.S. Department of Energy Office of River Protection, the offgas condensate generated from the waste-to-glass conversion is currently planned to be concentrated by evaporation in the Effluent Management Facility (EMF). This concentrated condensate can then be recycled back to the incoming waste and vitrified. To test the recycle process, an apparatus was designed and built to mimic the EMF evaporator and was then used to concentrate a volume of condensate produced during the vitrification of a sample of Hanford tank 241-AP-107 (referred to herein as AP-107) waste in a continuous laboratory-scale melter (CLSM). The concentrated condensate was added to an additional sample of AP-107 waste, to mimic one round of the recycle process, and the combined solution was vitrified, producing a second round of recycle condensate. In the current study, the EMF test apparatus was used to concentrate the second-round recycle condensate under evaporation conditions (at 45 °C and 1.4 psia) designed to emulate EMF operation. The condensate was successfully concentrated by a factor of ~10 while retaining over 95 % of the technetium-99 (99Tc), Cs, and I inventories in the concentrate. Another portion of AP-107 waste was retrieved by Washington River Protection Solutions, LLC (WRPS) and transferred to Pacific Northwest National Laboratory (PNNL), where it was pretreated and then combined with the second-round recycle AP-107 condensate concentrate and glass-forming chemicals (GFCs) to form the two-time recycle AP-107 melter feed, approximating a second round to the recycling action to be performed at the WTP. A portion of AP-105 waste was also retrieved by WRPS and provided to PNNL for pretreatment and combining with GFCs to form AP-105 melter feed. The two-time recycle AP-107 and AP-105 melter feeds were processed consecutively in the CLSM. The CLSM run proceeded for 13.63 hours, producing 9.70 kg of glass for an average glass production rate of 1464 kg m 2 d -1 during the two-time recycle AP-107 feed charging and 1568 kg m 2 d -1 during the AP-105 feed charging. The rate during AP-107 charging was essentially equivalent to the rate when processing no-recycle AP-107 feed and lower than that achieved when processing one-time recycle AP-107 feed. However, all rates were within the potential range of variability when processing melter feeds with similar composition in the CLSM. Likewise, the rate during AP-105 charging was higher than the previous rate processing AP-105, but within the potential CLSM range. The cold-cap characteristics changed from the typically thin AP-107 cold cap to a foamy-edged cold cap as previously seen with AP-105 shortly after transitioning to the AP-105 melter feed. The glass produced during the CLSM run was within 10 % of its target composition for the primary glass components. The CaO and Li 2 O targets varied by more than 1 wt% between the two-time recycle AP-107 and AP-105 glass targets and it took about 2 turnovers of the CLSM glass inventory to reach a relative chemical steady state in the glass for CaO and Li 2 O after the melter feed inputs were switched.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

Vitrification of Hanford Tank Wastes for Condensate Recycle and Feed Composition Changeover Testing

During the vitrification of Hanford Site nuclear waste at the Waste Treatment and Immobilization Plant (WTP), which is a part of the safe and efficient retrieval, treatment, and disposal mission of the U.S. Department of Energy Office of River Protection, the offgas condensate generated from the waste-to-glass conversion is currently planned to be concentrated by evaporation in the Effluent Management Facility (EMF). This concentrated condensate can then be recycled back to the incoming waste and vitrified. To test the recycle process, an apparatus was designed and built to mimic the EMF evaporator and was then used to concentrate a volume of condensate produced during the vitrification of a sample of Hanford tank 241-AP-107 (referred to herein as AP-107) waste in a continuous laboratory-scale melter (CLSM). The concentrated condensate was added to an additional sample of AP-107 waste, to mimic one round of the recycle process, and the combined solution was vitrified, producing a second round of recycle condensate. In the current study, the EMF test apparatus was used to concentrate the second-round recycle condensate under evaporation conditions (at 45 °C and 1.4 psia) designed to emulate EMF operation. The condensate was successfully concentrated by a factor of ~10 while retaining over 95 % of the technetium-99 ( 99 Tc), Cs, and I inventories in the concentrate. Another portion of AP-107 waste was retrieved by Washington River Protection Solutions, LLC (WRPS) and transferred to Pacific Northwest National Laboratory (PNNL), where it was pretreated and then combined with the second-round recycle AP-107 condensate concentrate and glass-forming chemicals (GFCs) to form the two-time recycle AP-107 melter feed, approximating a second round to the recycling action to be performed at the WTP. A portion of AP-105 waste was also retrieved by WRPS and provided to PNNL for pretreatment and combining with GFCs to form AP-105 melter feed. The two-time recycle AP-107 and AP-105 melter feeds were processed consecutively in the CLSM. The CLSM run proceeded for 13.63 hours, producing 9.70 kg of glass for an average glass production rate of 1464 kg m 2 d -1 during the two-time recycle AP-107 feed charging and 1568 kg m 2 d -1 during the AP-105 feed charging. The rate during AP-107 charging was essentially equivalent to the rate when processing no-recycle AP-107 feed and lower than that achieved when processing one-time recycle AP-107 feed. However, all rates were within the potential range of variability when processing melter feeds with similar composition in the CLSM. Likewise, the rate during AP-105 charging was higher than the previous rate processing AP-105, but within the potential CLSM range. The cold-cap characteristics changed from the typically thin AP-107 cold cap to a foamy-edged cold cap as previously seen with AP-105 shortly after transitioning to the AP-105 melter feed. The glass produced during the CLSM run was within 10 % of its target composition for the primary glass components. The CaO and Li 2 O targets varied by more than 1 wt% between the two-time recycle AP-107 and AP-105 glass targets and it took about 2 turnovers of the CLSM glass inventory to reach a relative chemical steady state in the glass for CaO and Li 2 O after the melter feed inputs were switched. The 99 Tc and total cesium content in the melter feeds were maintained at concentrations expected to be experienced at the WTP. During the CLSM run, while processing the two-time recycle AP-107 melter feed at a relative chemical steady state, the 99 Tc/Cs ratio was 10, and 34% of 99 Tc and 74% of Cs were retained in the glass. These values were higher than those measured in the CLSM run with one-time recycle AP-107 melter feed. After the transition to processing the AP-105 melter feed, when the production reached a relative chemical steady state, the 99 Tc/Cs ratio was 77 while 44% of 99 Tc was retained in the glass. The C's retention during this time frame reached 200% due to the excess C's in the glass after the target content decreased to 15% of its initial level in the two-time recycle AP-107 melter feed to the lower target in the Ap-105 melter feed. While iodine was below inductively coupled plasma mass spectrometry analytical reporting limits in the melter feed and glass samples, it was detected in quantities above the analytical reporting limits in the liquid and filter samples collected from the CLSM offgas treatment system. The behavior of iodine in the CLSM offgas treatment system followed a similar pattern to those of 99 Tc and Cs.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

A reduced-model (nSOLT) simulation of neutral recycling effects on plasma turbulence in the divertor region of MAST-U

The 2D scrape-off-layer turbulence code (nSOLT), which includes 1D kinetic neutral–plasma interactions, is applied to study effects of neutral recycling on plasma turbulence for parameters illustrative of the MAST-U divertor region. Neutral recycling is modeled by injecting a fraction of the parallel plasma flux to the divertor back into the simulation domain as a source of Franck–Condon-distributed neutrals. Stationary sources, concentrated at the magnetic separatrix, model plasma streaming into the divertor region from the upstream scrape-off-layer and sustain plasma turbulence absent neutral recycling. Starting from one such no-neutrals equilibrium, we initiate recycling in a numerical experiment designed to diagnose and identify the effects of various neutral–plasma interactions on the divertor plasma, divertor turbulence, and plasma exhaust. The onset of recycling triggers an initial burst of enhanced cross field plasma transport that is quelled by ionization cooling and charge–exchange (CX) friction, with growing neutral pressure, leading to a quiescent, turbulence-free state. Diagnosis of this transient burst reveals that (1) the sudden increase in plasma density due to ionization dominates the onset of the burst, (2) electron cooling due to ionization increases collisionality and disconnects blob filaments from the sheath, and (3) CX friction drives tripole polarization of a blob that can dominate the curvature-driven dipole polarization, leading to the stagnation of blob propagation and reduced radial turbulent transport. It is shown that CX friction is negligible compared to sheath physics in determining equilibrium mean flow shearing rates, for parameters considered herein (specifically a short connection length to the divertor target), while it can significantly reduce interchange-instability growth rates.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

CE ABM (Circular Economy Agent-Based Model) [SWR 20-113]

The CE ABM framework aims to evaluate the techno-economic, market, and social conditions that maximize the value retention and minimize raw material inputs of different circular economy (CE) strategies. Several types of agents are defined in the model, such as asset owners, service providers, recyclers, and manufacturers and modeled CE strategies are design-for-circularity, products and components reuse, and recycling. In addition to techno-economic relations, the CE ABM framework accounts for behavioral factors such as social norms and trust. (Title previously known as "ABSiCE (Agent-Based Simulations of the Circular Economy)". Updated Oct 27, 2023)

Walzberg, Julien↗
DOE OSTI2023

Large-scale computational polymer solubility predictions and applications to dissolution-based plastic recycling

Dissolution-based plastic recycling is a promising approach to separate and recover high quality pure polymer resins from multicomponent plastic waste by exploiting differences in polymer solubility. The design of a dissolution-based polymer recycling process requires the selection of appropriate solvent systems and operating temperatures to dissolve only target polymers. Determining these parameters experimentally is challenging due to the wide range of solvents and temperatures possible for a given set of target polymers. In this work, we report a computational scheme that employs molecular dynamics simulations and the Conductor-like Screening Model for Realistic Solvents to predict polymer solubilities. Using this scheme, we established a computational solubility database for 8 common polymers and 1007 solvents at multiple temperatures and measured selected solubilities experimentally to validate computational predictions. Analysis of functional groups within this large database then provides chemical heuristics relating the molecular structures of good and non-solvents for selected polymers. We further developed a tool that automates the selection of solvents for all possible sequences in which target polymers can be selectively dissolved to guide the design of dissolution-based plastic recycling processes. Here, we demonstrate the application of these methods via multiple experimental case studies of representative dissolution-based polymer recycling processes in which pure polymer resins were successfully recovered from physical mixtures of polymers.

42 ENGINEERING↗
DOE OSTI2026

Effect of polymer structure and material properties on mechanochemical reaction environments for polymer recycling

Plastic waste accumulation necessitates innovative recycling approaches to achieve sustainability goals. Mechanochemical depolymerization offers a solvent-free, energy-efficient route to convert polymers into valuable monomers. In addition to their chemical properties, the way that polymers absorb kinetic energy is a key parameter of any mechanochemical process. This perspective explores the principles underpinning mechanochemical recycling, emphasizing how deformation and localized transient heating mediate energy transfer between impacts and localized excitations. Key factors such as polymer crystallinity, molecular weight, viscoelasticity, and thermal effects are analyzed to elucidate their role in energy transfer mechanisms during ball milling. This work establishes a foundational framework for the design and optimization of mechanochemical recycling by connecting polymer response to mechanical energy with the intention to improve depolymerization efficiency. Future research opportunities are outlined to advance the integration of polymer science and mechanochemistry for scalable, sustainable plastic upcycling.

ball mill↗
DOE OSTI2022

American Made Challenges Battery Voucher Program Cooperative Research and Development Agreement (Cooperative Research and Development Final Report, CRADA Number CRD-21-17533)

Renewance is a Phase II winner of the U.S. Department of Energy Lithium-ion Battery Recycling Prize. The Prize is designed to incentivize American entrepreneurs to develop and demonstrate processes that, when scaled, have the potential to profitably capture 90% of all discarded or spent lithium-based batteries (LIB) in the Unites States for eventual recovery of key materials for re-introductions into the U.S. supply chain. The objective of this work is to enable a more efficient evaluation of battery sources for second life applications prior to ultimately being recycled, through evaluation of chemistry characteristics, projected battery lifetime, and application history. This work will develop the capability to identify groups of batteries that may be useful for second life and reduce the cost of end-of-life (EOL) LIB evaluation and repurposing. To meet the objective, NREL will use existing and new data to create a refined algorithm that could be used to evaluate batches of batteries for potential reuse based on manufacturing date and historical use characteristics. Based on current battery market prices and compiled literature data, a starting-point estimate of the market value of the batteries for reuse based on expected lifetime will be included in the algorithm. With the projected surge in LIB demand, battery second life is a new area ripe for development and investment from companies like Renewance. With so few large format batteries reaching EOL to date, this is a new market with a variety of areas for optimization and adding value. This work with Renewance is an example of how existing expertise in battery degradation at NREL can be used to reduce the cost of shifting a battery into a second life application. With these cost reductions, this work is also facilitating the development of a battery circular economy in the United States. A robust circular economy can maximize the utilization of critical metals demanded by battery technology such as nickel and cobalt while also reducing the costs of batteries in the marketplace for the many end-uses needed for the green energy transition. The supply of these metals is limited, and we face a supply chain shortage both domestically and globally unless we can ensure they are being used to their maximum potential. This research can improve the economics of a battery circular economy to make it a more likely path for EOL batteries with critical metals. CRADA benefit to DOE, Participant, and US Taxpayer: assists laboratory in achieving programmatic scope competencies, uses the laboratory's core competencies.

25 ENERGY STORAGE↗
DOE OSTI2020

Design Considerations and Operational Features of the Collimators for the Fermilab Main Injector and Recycler

The Fermilab Main Injector system delivers 700 kW of 120 GeV Proton beam for neutrino experiments. Since 2013 this has been achieved using slip stacking accumulation in the Recycler with up to 12 batches from the Fermilab Booster per Main Injector Ramp Cycle. To control activation from beam loss, collimation systems in the Booster to Recycler transfer line, in the Recycler and in the Main Injector are employed. Residual radiation measurements around the ring with detailed studies at the collimators are required to maintain adequate loss control. We will review design considerations, operational parameters and activation results for more than ten years of operation. Simulations with MARS15 are used to explore the activation rates and the isotopic composition of the resulting activation.

43 PARTICLE ACCELERATORS↗
DOE OSTI2023

Sustainability Engineering: Challenges, Technologies, and Applications

Sustainability Engineering: Challenges, Technologies, and Applications focuses on emerging topics within sustainability science and engineering, including the circular economy, advanced recycling technologies, decarbonization, renewable energy, and waste valorization. Readers will learn the trends driving today's sustainability research and innovation as well as the latest in sustainable process technologies. This book: addresses emerging sustainability development challenges, progress, and disruptive technologies; discusses biological sustainability, recycling technologies, and sustainable process design and manufacture; and features a comprehensive view from renowned experts who are leaders in their respective research areas. This work is aimed at an interdisciplinary audience of engineers and scientists working on solutions to advance the development and application of sustainable technologies, including - but not limited to - chemical and environmental engineers.

advanced recycling technologies↗
DOE OSTI2026

Computational methods in solution-based plastics purification

Plastic waste can be recycled into resins with near-virgin properties by solution-based purification processes that selectively dissolve polymers, remove contaminants, or detach printing residues. Here, in this review, we examine computational methods for predicting the behavior governing solution-based plastic purification, motivated by the vast polymer–solvent–contaminant compositional space. We discuss thermodynamic and machine learning methods for predicting polymer–solvent and polymer–contaminant interaction and review physics-based molecular dynamics simulations that resolve molecular-scale phenomena within polymer matrices inaccessible to screening methods. We highlight how these methods have informed experimental design for dissolution-based recycling and solvent-based contaminant removal. Finally, we discuss the prospective role of agentic AI in integrating these computational tools with real-time sorting data to adapt purification conditions to the compositional variability of real post-consumer feedstocks. This review charts a path toward computationally guided solution-based purification workflows that can respond to the complexity inherent in plastic waste streams.

Altamimi, Ali [Univ. of Wisconsin, Madison, WI (Un↗
DOE OSTI2021

Phototunable Lignin Plastics to Enable Recyclability

The accumulation of non-degradable petrochemical plastics imposes a significant threat to the environment and ecosystems. We addressed this challenge by designing a new type of phototunable plastics based on the unique lignin chemistry to enable readily end-life recycling. The advanced material design leveraged the efficient photocatalytic lignin depolymerization by ZnO nanoparticles to build lignin-polymethyl methacrylate (PMMA)-ZnO blends. We first demonstrated the highly effective phototunable lignin depolymerization in the complex polymer blend matrix and explored the molecular mechanisms. The technical barriers of mechanical property and recycling processing were then addressed by a new blend design with lignin core grafted with PMMA polymer. The new process has resulted in a new type of PMMA-g-lignin blend, which significantly improved the mechanical properties, making it comparable to PMMA alone. More importantly, the mechanical properties of the UV-treated blend decreased drastically in the new design, whereas the properties did not reduce in the non-grafted blends upon UV exposure. The results highlighted that the new blend design based on graftization maximized the impact of lignin depolymerization on blend structure and recyclability. Based on the results, we developed a process integrating UV and alkaline treatments to recycle PMMA for plastics and fractionated lignin for bioconversion or other applications in the new phototunable plastics.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Heterotropic roles of divalent cations in the establishment of allostery and affinity maturation of integrin αXβ2

Allosteric activation and silencing of leukocyte β2-integrins transpire through cation-dependent structural changes, which mediate integrin biosynthesis and recycling, and are essential to designing leukocyte-specific drugs. Stepwise addition of Mg 2+ reveals two mutually coupled events for the αXβ2 ligand-binding domain—the αX I-domain—corresponding to allostery establishment and affinity maturation. Electrostatic alterations in the Mg 2+ -binding site establish long-range couplings, leading to both pH- and Mg 2+ -occupancy-dependent biphasic stability change in the αX I-domain fold. The ligand-binding sensorgrams show composite affinity events for the αX I-domain accounting for the multiplicity of the αX I-domain conformational states existing in the solution. On cell surfaces, increasing Mg 2+ concentration enhanced adhesiveness of αXβ2. This work highlights how intrinsically flexible pH- and cation-sensitive architecture endows a unique dynamic continuum to the αI-domain structure on the intact integrin, thereby revealing the importance of allostery establishment and affinity maturation in both extracellular and intracellular integrin events.

36 MATERIALS SCIENCE↗