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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Evaluating the potential of plastic waste upcycling using thermochemical technologies: A case study in Spain

A plastic waste upcycling value chain model has been applied to assess the potential of processing packaging waste in Spain using thermo-chemical technologies to produce low-density polyethylene (LDPE) and polypropylene (PP), which are highly valuable materials. The model projects an annual profit of 120.6 M$\$$/yr, with a capital investment of 789.3 M$\$$, generating 3285 jobs and contributing 65.5 M$\$$/yr to Spain’s economy. The achieved circularity rate of the waste processing infrastructure exceeds 40 %, incorporating recycled HDPE and PET. Despite these advantages, regulatory gaps and market hesitancy toward recycled materials due to quality concerns hinder adoption. Additionally, economies of scale remain underutilized in Spain due to lower plastic waste collection levels compared to countries such as the United States. This network, while less profitable, is environmentally superior, yielding upcycled products with a Global Warming Potential 20–35 % lower than their virgin, fossil-fuel counterparts, confirming this as a viable and sustainable alternative.

Chemical upcycling↗
DOE OSTI2023

2023 Critical Materials Strategy

The global effort to curb carbon emissions is accelerating demand for clean energy technologies and the materials they rely on. Demand for these materials will only continue to grow, especially as some nations aim to achieve net zero emissions by 2050. While some major materials like steel, copper, and aluminum are already powering the fossil fuel economy, others are more minor materials with potential supply risks. These risks could jeopardize the ability to reduce greenhouse gas emissions within the desirable timeframe to avoid significant climate change. In some cases, it may be necessary to take action to improve the resilience of material supply chains and mitigate supply risks. Understanding the importance of individual materials to clean energy and the supply risks associated with them is necessary to identify which materials may serve as potential roadblocks to a clean energy future. The U.S. Department of Energy (DOE) issued a series of 13 supply chain deep dive assessment reports on various energy technologies in 2022 in response to President Biden’s Executive Order on America’s Supply Chains (E.O. 14017). These reports emphasized that supply chain bottlenecks can occur at any stage of the value chain from mining and refining to component and even sub-system manufacturing. The bottlenecks are a combination of factors such as material availability, equipment availability, work force availability and quality, logistics, regulatory framework, and market conditions. These bottlenecks were worsened during the global Covid-19 pandemic. Its lingering impacts have hindered capacity expansion for material supply chains and prevented product lead-time recovery. One approach to reduce supply chain risks for the United States is to have a strong domestic manufacturing sector with a diverse set of producers. Boosting responsible domestic production would require leveraging the latest science not only in material extraction but also in developing substitutes, recycling, reuse, and remanufacturing. This report is an updated analysis of previous Critical Materials Strategy (CMS) reports published by the DOE in 2010, 2011, and 2019 based on national and global priorities, technology advancement, and technology adoption trends. Like the CMS reports, this analysis presents the results of a formal material criticality assessment to identify which materials are critical to the continued deployment of clean energy technologies globally. The analysis in this report leveraged the DOE supply chain deep dive assessments to develop the initial list of materials to evaluate. This DOE Critical Materials Assessment (CMA) is conducted independently of criticality assessments performed by other U.S. government agencies, such as that conducted by the U.S. Geological Survey (USGS). This analysis complements the USGS critical minerals determination in three aspects. First, the DOE assessment is performed from a global perspective, while the USGS analysis focusses on the importance of minerals to the U.S. economy. Second, this report focuses on the importance of materials to clean energy technologies, rather than to the economy in general. Lastly, this study is forward looking to 2035 based on clean energy deployment scenarios, whereas the USGS assessment is retrospective. Materials evaluated in this report that do not appear in the USGS Critical Minerals List include copper, uranium, electrical steel, and SiC. A draft version of this report received ~80 public comments related to supporting data and methodological improvement. Those comments have been incorporated as much as possible where appropriate. Highlights of findings from this 2023 CMA include: Rare earth materials (neodymium, praseodymium, dysprosium, and terbium) used in magnets in electric vehicle (EV) motors and wind turbine generators continue to be critical. While dysprosium (Dy) and terbium (Tb) are both heavy rare earth elements that serve the same function in magnets, the criticality of Tb is slightly lower than that for Dy in the short term due to the widespread use of Dy in high-grade magnets and Tb’s present role as a substitute. Similarly, praseodymium (Pr) is critical in the medium term but only near critical in the short term because it is more substitutable in magnets than neodymium (Nd); Materials used in batteries for EVs and stationary storage are now considered to be critical. While cobalt (Co) was found to be critical in this and previous reports, lithium (Li) becomes critical in the medium term due to its broader use in various battery chemistries and the rampant growth of the EV industry. Natural graphite is a new addition in this assessment and is also found to be critical; Platinum group metals used in hydrogen electrolyzers, such as platinum (Pr) and iridium (Ir), are critical due to an increased focus on hydrogen technologies to achieve net zero carbon emissions, while those used in catalytic converters, such as rhodium (Rh) and palladium (Pd), were screened out due to the decreased importance of catalytic converters in the medium term; Gallium (Ga) continues to be critical due to its use in light-emitting diodes (LEDs). In addition, the use of Ga has increased in magnet manufacturing and in semiconductor in forms such as gallium arsenide (GaAs) or gallium nitride (GaN); Major materials like Aluminum (Al), copper (Cu), nickel (Ni), and silicon (Si) move from noncritical in the short term to near critical in the medium term due to their importance in electrification; Electrical steel is near critical due to its use in transformers for the grid and electric motors in EVs.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2024

Analysis and Design for Sustainable Circularity of Barrier Films Used in Sheet Molding Composites Production

Sheet molding composites (SMC) are thermoset based molding compounds with a global market size of USD 2.1 billion in 2020. SMC is usually processed with multilayer barrier/carrier films to prevent emissions from volatile organic compounds (VOC). The plastic barriers are separated from SMC after the curing process and discarded. To illustrate the high consumption volume of SMC barrier/carrier films, Kohler Co., a company which uses SMC in their bath and showering product lines, alone generates over 1M lb/year of SMC barrier/carrier film waste. Therefore, high amount of SMC barrier/carrier film plastic waste creates a great opportunity for reusing, recycling, or valorization at its end of life. This can be achieved through transition from a linear to a circular supply chain design. However, this transition will not be feasible without overcoming the technical and economic barriers. This project aims to tackle this by making the film circular. Different end of life alternatives will be evaluated experimentally. The reusability of the film will be studied through applying different mechanical and solvent cleaning techniques. The operability concerns regarding the utilization of the cleaned film for long run operations will be addressed by thermally stitching the film. Pelletizing of the cleaned film will also be investigated as a viable technique for recycling or downcycling of the film as molded products. In addition to technical barriers, designing a sustainable circular supply chain for SMC carrier film products requires uncovering the collaboration opportunities between suppliers and users at different stages of the value chain to expand its use to other products. These opportunities will be investigated by finding companies willing to buy or treat the plastic film waste. Finally, the economic viability and environmental impacts of these circular design alternatives will be evaluated through techno-economic assessment (TEA) and life cycle analysis (LCA). Techno-economic and life cycle inventory data for various pathways will also be made available as one of the main outcomes of this project. Preliminary LCA results indicate that the current SMC film supply chain (base case) emits 5.81 tonne CO2 eq. and consumes 104 GJ energy per tonne of SMC film. It is estimated that alternative circular pathways result in 14-20% less CO2 emissions and 34-44% reduction in embodied energy. This project will develop a tool to analyze the circularity and sustainability of hundreds of combinations of alternatives in different life cycle stages. Users of this tool will be able to choose the best combination among these alternatives with respect to the selected economic, environmental and circularity objectives.

circular economy↗
DOE OSTI2020

PV_ICE: PV in the Circular Economy, Dynamic Energy and Materials Tool (PV ICE)

This open-source tool implements Circular Economy metrics for photovoltaic (PV) materials. It can be used to quantify and assign a value framework to efforts on re-design, reduction, replacement, reuse, recycling, and lifetime and reliability increases in the PV value chain. The PV_ICE is leveraging published data from different sources on PV manufacturing and predicted technological changes. Input data is being compiled here This tool will help implement circularity metrics, quantify and assign a value framework to efforts on re-design, reduction, replacement, reusage, recycling, and lifetime and reliability increases on PV.

Ovaitt, nee Ayala Pelaez, Silvana↗
DOE OSTI2023

Ocean Energy: Markets - Currency - Impact. Dimension of & Choices in the Technology Development Space: Preprint

This paper presents considerations of the employment of ocean wave energy to support different energy demand side applications. The key aspect in these considerations is the wave energy supported achievable positive impact and associated tangible contribution in service of common societal good and of the natural commons. The level of impact that can be delivered is dependent on both, the level of contribution of the supported energy use application, and the compatibility and unique suitability of the wave energy resource and its characteristics with the needs of the application. Thus, a variety of ocean wave energy markets, the key value indicators or "currency' in which these markets trade the value delivered and the achievable positive impact, are reflected upon. Ocean wave energy supported acquisition of high quality ocean system data across a wide spectrum of system properties is identified as a highly impactful application enabling and/or improving a comprehensive range of impactful ocean system activities. The technology development process towards these markets and desired impacts requires relevant technology development progress guidance and metrics. Going beyond technology readiness levels and technology performance levels, the notion of further technology development progress scales towards high impact and high contribution are proposed. These scales and the associated technology properties can be regarded as additional technology development dimensions to span-up the technology development space in which desired system capability and functional requirement choices and subsequent ideation, innovation, research and technology development decisions can and are to be made.

data market↗
DOE OSTI2021

Identification of opportunities for integrating chemical processes for carbon (dioxide) utilization to nuclear power plants

The energy and industrial sectors are responsible for more than 75% of global carbon dioxide emissions, which are primary contributors to climate change. Decarbonization strategies to reduce overall carbon dioxide emissions are urgently needed. Among the numerous decarbonization strategies that are being defined and implemented, a particular strategy of interest for the present work is “the Re-X or zero waste” strategy, which involves recycling, reuse, repurposing, and remanufacturing of industrial emissions, by-products, and waste in general. A circular value chain or Circular Economy is embedded within this strategy. In a circular carbon economy, efficient reuse of emitted carbon dioxide is considered. However, the stability of carbon dioxide implies the requirement of significant amounts of energy for its transformation into value-added chemicals or products, which must be supplied by low carbon emitting energy sources. Nuclear power plants are low carbon energy sources that, additionally to electricity, could also supply heat and radiation for chemical transformations. This work identifies the opportunities and challenges for the development of integrated energy systems to upgrade and transform carbon dioxide, involving chemical and nuclear energy. The analysis encompasses possible use of the different forms of energy that can be obtain from nuclear reactors (i.e., radiation, electricity, and heat), by reviewing the published literature on potential routes for its conversion. Overall, our review indicates that an universal technology of the one-fits-all solution-type is an utopic dream. Instead, a suite of (contaminants tolerant) technologies for processing various concentrations CO 2 and producing a variety of products is currently needed.

08 HYDROGEN↗
DOE OSTI2026

Material efficiency technologies in the food and beverage industry

The U.S. food and beverage (F&B) sector is a major contributor to manufacturing gross domestic product and supports substantial employment and economic activity, while exerting significant pressures on land and water resources. At the same time, the industry faces growing expectations to balance its resource-intensive operations without compromising cost competitiveness. Material inefficiencies across the F&B value chain, particularly in raw material use and product loss/waste, lead to substantial financial losses and resource depletion. Thus, the F&B sector requires adoption of solutions and measures to avoid food wastage, reduce raw material consumption and valorize waste to high-value added products. This work presents a comprehensive understanding of the various technology solutions available for the F&B sector. The following two research questions are addressed: “What are the mid-to-high Technology Readiness Level technologies or measures to reduce material use and enable waste valorization in the F&B sector? What are the barriers to their commercial deployment? Additionally, what targeted research and development efforts are needed to overcome these barriers and accelerate their scale-up?” The findings are intended to support evidence-based decision-making, guide strategic investment, and help stakeholders strengthen resilience and competitiveness across the F&B sector.

Nain, Preeti [ORNL] (ORCID:0000000258358959)↗
DOE OSTI2021

Deactivation and Cathode-Healing™ to support the Low-Cost US Supply Chain

Lithium-ion recycling is challenged by cost and safety related to reactivity of lithium and electrolytes. OnTo’s deactivation eliminates flammability and residual reactivity enabling a roadmap for safe, low-cost end-of-life battery services essential to the industry. Deactivation coupled with Cathode-healing provides safety and efficiency in material recycling that can be applied all along the manufacturing value chain. Dr. Sloop will present recent developments in application and scale of these innovative technologies.

25 ENERGY STORAGE↗
DOE OSTI2026

State of Innovation 2025: Progress in Accelerating Next-Generation Cement and Concrete Technologies

The cement and concrete sectors are entering a decisive period as next-generation technologies advance from laboratory research to demonstration, early deployment, and first-of-a-kind commercial plants. Building on the 2024 State of Innovation report, the 2025 outlook highlights both the rapid acceleration of innovation and the urgent need for coordinated action across the value chain. Venture capital activity into the cement and concrete space stabilized following the record surge of 2022-2023, yet landmark financings, such as Sublime Systems' $200 million round and Terra CO2's $124 million Series B, signal continued investor confidence in companies approaching commercialization. Corporate procurement has become a powerful new catalyst, with Microsoft, Amazon, and CRH (Cement Roadstone Holdings) Ventures providing long-term commitments that underpin the first wave of next-generation cementitious products. The sector is shifting from early-stage experimentation toward the scaling of well-capitalized leaders capable of bridging the critical "capitalization gap." Early innovators continue to expand the toolkit through novel binders, electrochemical cements, biogenic limestone, and carbonate mineralization pathways. Going into 2026, cost competitiveness, durability validation, and scalability enabled by resilient supply chains remain the decisive factors for market adoption. At the 2025 Next Generation Cement and Concrete Critical Technologies Meeting, attendees emphasized dual-track funding strategies that integrate federal grants with private capital as key to enabling market breakthrough. State programs and corporate demand are sustaining momentum, while successful companies increasingly demonstrate both economic value and reduced dependence on imported materials. The National Concrete Pavement Technology Center and others underscored that broad integration of next-generation materials will hinge on standards compatibility, verified field performance, and workforce readiness. Colorado continues to serve as a proving ground through pilot programs that combine supplier training, phased implementation, and real-world data to de-risk innovation and provide replicable models for other regions. The 2025 Cement and Concrete Critical Technologies Workshop reinforced that scaling next-generation materials will require alignment among technology innovation, performance validation, and market demand. Stakeholders must move beyond siloed efforts toward collaborative frameworks that coordinate standards, funding, and infrastructure deployment. As a neutral convener and technical validator, the National Laboratory of the Rockies (NLR) plays a pivotal role in bridging innovation and market adoption through collaborative research, technology validation, and entrepreneurship programs. By uniting innovators, incumbents, policymakers, contractors, and investors, NLR and its partners are helping chart a credible pathway toward widespread commercialization in the decade ahead.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Analysis of Infrastructures for Processing Plastic Waste using Pyrolysis-Based Chemical Upcycling Pathways

Modern mechanical recycling infrastructure for plastic is capable of processing only a small subset of waste plastics, reinforcing the need for parallel disposal methods such as landfilling and incineration. Emerging pyrolysis-based chemical technologies can "upcycle" plastic waste into high-value polymer and chemical products and process a broader range of waste plastics. In this work, we study the economic and environmental benefits of deploying an upcycling infrastructure in the continental United States for producing low-density polyethylene (LDPE) and polypropylene (PP) from post-consumer mixed plastic waste. Our analysis aims to determine the market size that the infrastructure can create, the degree of circularity that it can achieve, the prices for waste and derived products it can propagate, and the environmental benefits of diverting plastic waste from landfill and incineration facilities it can produce. We apply a computational framework that integrates techno-economic analysis, life cycle assessment, and value chain optimization. Our results demonstrate that the infrastructure generates an economy of nearly 20 billion USD and positive prices for plastic waste, opening opportunities for compensation to residents who provide plastic waste. Our analysis also indicates that the infrastructure can achieve a plastic-to-plastic degree of circularity of 34% and remains viable under various external factors (including technology efficiencies, capital investment budgets, and polymer market values). Finally, we present significant environmental benefits of upcycling over alternative landfill and incineration waste disposal methods, and comment on ongoing work expanding our modeling methodology to other chemical upcycling pathway case studies, including hydroformylation of specific plastics to chemicals.

Interdisciplinary↗
DOE OSTI2023

Critical Minerals from Waste Streams in the Powder River Basin of Wyoming and Montana, USA

Background/Objectives. Critical minerals (CM) are essential for numerous industrial and defense applications, including green technologies that will help to meet carbon emission reduction goals. Many CM are currently mined and processed in countries that lack stringent environmental and labor regulations. Unconventional sources such as existing industrial waste streams could play a part in building an ethical CM supply chain. Additionally, waste streams created in the extraction and processing of CM could be used for other industrial or commercial purposes, thereby reducing waste and advancing a circular economy. Approach/Activities. The Department of Energy funded Powder River Basin (PRB) CORE-CM project is exploring all aspects of the carbon ore, rare earth element (REE), and CM value chain, including the potential for extraction of CM from industrial waste streams in the basin. Waste streams that have potential as CM feedstocks are being inventoried to assess the concentration of CM in each waste stream and to estimate volume and accessibility. Although basin-specific technologies for extraction of CM are still in development, waste streams that may be produced during these processes are being cataloged and mapped to potential secondary uses. Results/Lessons Learned. Initial studies of the CM potential of PRB coal ash show that this waste stream contains concentrations of greater than 300 ppm total REE (Bagdonas et al., 2022, Renewable and Sustainable Energy Reviews). Moreover, calcium-rich PRB coal ash is amenable to REE extraction (Taggart et al., 2016, Environmental Science and Technology). Wyoming coal is shipped to 28 states, meaning that coal ash produced at power stations across the US represents a potential widespread resource for the extraction of REE. In addition to coal mining and coal fired electricity generation, the PRB is home to other energy industries including oil and gas production, in-situ uranium mining, and bentonite mining. Historically, precious and base metal mining has taken place on the perimeter of the PRB. Waste streams from these industries are currently being evaluated for their CM potential. Assessing the CM resource potential of waste streams could contribute to the development of an ethical CM supply chain. Results from these studies can be replicated for other waste streams, increasing the likelihood of successful creation of circular economies.

Phillips, Erin↗
DOE OSTI2021

Decentralized and mobile biomass torrefaction to upgrade the biomass supply chain

As part of the Cyclotron Road program, Takachar seeks to investigate the scaling laws and behaviors of a small-scale biomass torrefaction reactor design and its technoeconomic feasibility in various potential applications. Traditionally, biomass is logistically expensive and complicated to utilize in various energy and chemical industries, because it is often loose, wet, bulky, and present in small pockets in dispersed regions. Biomass torrefaction is an approach whereby raw biomass is subject to moderate heat, releasing low-energy molecules. The resultant torrefied biomass becomes energy and volume dense, which reduces the relative transportation cost, and in many cases can even support a local value chain that would otherwise not be possible. However, conventional biomass torrefaction systems are often large-scale, centralized in design, rending them difficult to deploy in many biomass applications in rural/decentralized regions. By building upon prior research at Massachusetts Institute of Technology (MIT), the concept of small-scale, low-cost, and portable biomass torrefaction units was explored further. This investigation has led to the advancement and scale-up of the MIT technology which can be deployed to a much wider spectrum of the biomass market than the conventional technologies.

09 BIOMASS FUELS↗
DOE OSTI2024

Environmental life-cycle analysis of hydrogen technology pathways in the United States

Hydrogen is a zero-carbon energy carrier with potential to decarbonize industrial and transportation sectors, but its life-cycle greenhouse gas (GHG) emissions depend on its energy supply chain and carbon management measures (e.g., carbon capture and storage). Global support for clean hydrogen production and use has recently intensified. In the United States, Congress passed several laws that incentivize the production and use of renewable and low-carbon hydrogen, such as the Bipartisan Infrastructure Law (BIL) in 2021 and the Inflation Reduction Act (IRA) in 2022, which provides tax credits of up to $3/kg depending on the carbon intensity of the produced hydrogen. A comprehensive life-cycle accounting of GHG emissions associated with hydrogen production is needed to determine the carbon intensity of hydrogen throughout its value chain. In the United States, Argonne’s R&D GREET ® (Greenhouse Gases, Regulated emissions, and Energy use in Technologies) model has been widely used for hydrogen carbon intensity calculations. This paper describes the major hydrogen technology pathways considered in the United States and provides data sources and carbon intensity results for each of the hydrogen production and delivery pathways using consistent system boundaries and most recent technology performance and supply chain data.

Elgowainy, Amgad↗
DOE OSTI2022

Economic evaluation of infrastructures for thermochemical upcycling of post-consumer plastic waste

Thermochemical technologies, such as pyrolysis, offer a potentially scalable pathway for upcycling diverse types of plastic waste (PW) into value-added chemicals. However, deploying these technologies in waste management infrastructures is not straightforward because such systems involve a wide range of interdependent stakeholders, processing facilities, and products. In this work, we present a holistic optimization framework that integrates value-chain analysis, techno-economic analysis, and life-cycle analysis for investigating the economic viability and environmental benefits of upcycling infrastructures that collect, sort, clean, and process post-consumer PW for producing virgin polymer resins. The framework is applied to a case study in the upper Midwest region of the US. Our analysis reveals that the infrastructures are economically viable and could activate a regional circular economy that generates over 1 billion USD in annual profit. Moreover, our analysis reveals that this economy can reduce the carbon footprint of PW incineration by half. Our framework also determines the inherent values of post-consumer PW and of derived products such as plastic bales and pyrolysis oil; we find that, in these infrastructures, PW becomes a highly valuable feedstock with a market value of 500 USD per tonne. Here, we discuss how this market value can generate incentives that foster more effective waste pre-sorting practices by consumers that can help bypass material recycling facilities and increase total system profit.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Reversible Interfacial Hydride Transfer as a Complementary Tool To Measure Molecular Hydricity

Hydride transfer is an essential elementary reaction across the chemical value chain, but there are limited methods available for quantifying thermodynamic hydricity (ΔG H- ), particularly among main group reagents. Herein, we exploit facile H 2 activation and reversible hydride transfer from a metal surface to a molecular reagent, the net hydrogen reduction reaction (HRR), to develop a potentiometric method for quantifying ΔG H- of main group reagents recalcitrant to conventional methods. HRR potentiometry is first validated with a benzimidazole-based hydride donor and then applied to uncover the impact of the reaction environment on hydricity. For a benzimidazole-based hydride donor, HRR equilibrium potentials are roughly invariant across solvents, indicating that the solvent dependence of its hydricity largely reflects the differential solvation of H - across media. For formate, HRR potentials and corresponding hydricities depend strongly on water content. Additionally, for borohydrides, HRR potentiometry reveals that effective hydricity values are strongly influenced by Lewis acid-base adduct formation with the hydride acceptor but are minimally influenced by the countercation. Together with these studies, the advantages, limitations, and practical considerations of the HRR potentiometry method are discussed, highlighting the power of this methodology as a complementary tool to measure molecular hydricity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Dynamic Material Flow Analysis of Silicon Photovoltaic Modules to Support a Circular Economy Transition

Solar photovoltaics (PV) are the fastest growing renewable energy technologies for clean, cheap, and sustainable electricity generation. To prepare for rapid scale-up, the PV industry needs to project material requirements to build out all aspects of the supply chain appropriately and plan to handle large volumes of module waste. Impacts of deploying different material circularity strategies to reduce waste and conserve primary resources need to be quantified to inform sustainable material management. Here, we introduce the photovoltaic dynamic material flow analysis (PV DMFA) model based on PV electricity generation. The model quantifies material flows and stocks in the cradle-to-cradle life cycles of utility-scale c-Si PV systems in the United States through 2100. We present case studies for solar flat glass and aluminum frame materials under various scenarios to project the impacts of PV performance, reliability, and processing parameters, material circularity strategies, and module design shifts. In the absence of circularity measures, ~100 million MT of flat glass and ~12 million MT of aluminum would be needed for PV installations by 2100 to meet projected growth in domestic utility PV demand to nearly 1000 TWh in 2100. With optimistic but feasible improvements in efficiency, reliability, and circularity, material intensity and waste could be reduced by nearly 50%. Efficient module collection, minimally intrusive recycling, and careful scrap handling and cleaning could improve material circularity in the PV value chain. This model serves as a sustainability data support tool that may aid in the circular economy transition for PV systems.

circular economy↗
DOE OSTI2024

A multiscale anisotropic polymer network model coupled with phase field fracture

The study of polymers has continued to gain substantial attention due to their expanding range of applications, spanning essential engineering fields to emerging domains like stretchable electronics, soft robotics, and implantable sensors. These materials exhibit remarkable properties, primarily stemming from their intricate polymer chain network, which, in turn, increases the complexity of precisely modeling their behavior. Especially for modeling elastomers and their fracture behavior, accurately accounting for the deformations of the polymer chains is vital for predicting the rupture in highly stretched chains. Despite the importance, many robust multiscale continuum frameworks for modeling elastomer fracture tend to simplify network deformations by assuming uniform behavior among chains in all directions. Recognizing this limitation, our study proposes a multiscale fracture model that accounts for the anisotropic nature of elastomer network responses. At the microscale, damage in the chains is assumed to be driven by both the chain's entropy and the internal energy due to molecular bond distortions. In order to bridge the stretching in the chains to the macroscale deformation, we employ the maximal advance path constraint network model, inherently accommodating anisotropic network responses. As a result, chains oriented differently can be predicted to exhibit varying stretch and, consequently, different damage levels. To drive macroscale fracture based on damages in these chains, we utilize the micromorphic regularization theory, which involves the introduction of dual local-global damage variables at the macroscale. The macroscale local damage variable is obtained through the homogenization of the chain damage values, resulting in the prediction of an isotropic material response. The macroscale global damage variable is subjected to nonlocal effects and boundary conditions in a thermodynamically consistent phase field continuum formulation. Moreover, the total dissipation in the system is considered to be mainly due to the breaking of the molecular bonds at the microscale. To validate our model, we employ the double-edge notched tensile test as a benchmark, comparing simulation predictions with existing experimental data. Additionally, to enhance our understanding of the fracturing process, we conduct uniaxial tensile experiments on a square film made up of polydimethylsiloxane (PDMS) rubber embedded with a hole and notches and then compare our simulation predictions with the experimental observations. Furthermore, we visualize the evolution of stretch and damage values in chains oriented along different directions to assess the predictive capacity of the model. In conclusion, the results are also compared with another existing model to evaluate the utility of our model in accurately simulating the fracture behavior of rubber-like materials.

42 ENGINEERING↗