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At least 685 records · Page 38

Reconstruction of beam parameters and betatron radiation spectra measured with a Compton spectrometer

The photon flux resulting from high-energy electron beam interactions with high-field systems, such as those found in the upcoming FACET-II experiments at the SLAC National Accelerator Laboratory, yields deep insight into the electron beam’s underlying dynamics during the interaction. However, extracting this information is an intricate process. To demonstrate how to approach this challenge using modern methods, this paper utilizes simulated data that models plasma wakefield acceleration-derived betatron radiation in experiments to determine reliable methods of reconstructing key beam and beam-plasma interaction properties. For betatron radiation measurements, translating the observed 200⁢ keV to 30⁢ MeV photon double-differential energy-angle spectra obtained from an advanced Compton spectrometer requires testing multiple methods to optimize the pipeline from its response to incident electron beam information. The paper compares maximum likelihood estimation and machine learning to refine the translation of photon spectra into precise electron beam metrics, such as spot size, energy, and emittance, enhancing the understanding of beam behavior within these dense, high-field environments. We also introduce machine learning and the expected maximization algorithm to reconstruct the primary photon spectrum, employing a multilayer neural network for regression analysis of the energy and angle spectra. With appropriate modifications, the advanced methods reproduce relevant incident beam parameters with high accuracy, even for beam sizes in the <10 μ⁢m range. This capacity is critical to understanding intense beam propagation and its optimization in plasma.

Beam code development & simulation techniques↗

Stability, metallicity, and magnetism in niobium silicide nanofilms

Modern superconducting qubits based on two-dimensional (2D) transmons typically involve the growth of Nb thin films on high-resistivity Si substrates. Since imperfections at the Nb-Si heterointerface have been implicated as a source of two-level systems that limit quantum coherence times, detailed characterization and understanding of niobium silicide interfacial layers are critical to improving superconducting qubit technology. While bulk binary intermetallic niobium silicide phases are well understood, the thermodynamic phase stability and properties of ultrathin niobium silicides, such as those found at the Nb-Si heterointerface in 2D transmons, have not yet been explored. Here, we report finite-sized effects for ultrathin niobium silicide films using density functional theory calculations and predict nanoscale stabilization of Nb 6 Si 5 over the bulk α-Nb 5 Si 3 phase. This result is consistent with our experimental observations of a niobium silicide interfacial layer between a sputtered Nb thin film and the underlying Si substrate. Furthermore, our calculations show that Nb 6 Si 5 nanofilms are nonmagnetic, making them superior to nanofilms of α-Nb 5 Si 3 that exhibit antiferromagnetic correlations detrimental to long coherence times in superconducting qubits. Furthermore, by providing atomic-scale insight into niobium silicide nanofilms, this paper can help guide ongoing efforts to optimize Nb-Si heterointerfaces for long coherence times in superconducting qubits.

36 MATERIALS SCIENCE↗

Low-velocity repeated impact behaviors of Polymer Fiber Reinforced Plastics (PFRPs)

Modern fiber-reinforced composites have become ubiquitous across multiple industries due to their excellent weight-to-strength ratio. Typically glass or carbon fibers are widely used. While Glass or Carbon Fiber-Reinforced Plastics (GFPRs or CFPRs) have good stiffness, strength, and fatigue life, they are expensive and difficult to recycle. Researchers are exploring Polymer Fiber-Reinforced Plastics (PFRPs) as an alternative solution. PFRPs utilize polymer fibers and a polymer matrix. A wide range of materials options is available, including low-cost thermoplastics such as polyethylene or polypropylene. These thermoplastics are easy to handle and recyclable without special methods. Manufacturing parts using thermoplastics are well-established as well. However, their mechanical performances have not been extensively studied compared to GFRPs or CFRPs. This study examines the low-velocity impact resistance of PFRPs made of different thermoplastics. The low-velocity impacts are applied through a drop-weight tower. The experiment is divided into two cases: a single perforation impact and low-energy repeated impacts. Energy absorption and the number of impacts to failure are measured. The results are compared to traditional CFRPs which have a thermoset matrix. The PFRPs demonstrate energy absorption capabilities comparable to or greater than those of CFRPs with respect to specimen thickness and density. Additionally, the PFRPs show significantly higher impacts-to-failure than the CFRPs in low-energy repeated impact tests. This is particularly noteworthy considering that the PFRPs are much simpler and more economical to manufacture than CFRPs. To further

Ko, Seunghyun↗

Low-GWP Refrigerants Status and Outlook

Refrigeration - including air conditioning (AC) – contributes substantially to the modern life of the 21st century and its economy. The food cold chain, air conditioning, healthcare and energy are examples of sectors for which refrigeration is indispensable. About 5 billion refrigeration systems – of different types and sizes– operate worldwide in different applications [1]. The dominant share of equipment providing refrigeration operate on the vapor-compression-cycle principle and use fluorocarbon refrigerants. Concerns about the environmental safety have become the driving force for refrigerant changes within the last 35 years. The phased-out schedule of stratospheric-ozone-depleting fluids was first formulated by the Montreal Protocol (MP) in 1987 and was made more stringent during the follow-up international meetings [2]. The affected chlorofluorocarbon (CFC) and hydrochlorofluorocarbon (HCFC) refrigerants were largely replaced by hydrofluorocarbons (HFCs).The 2016 Kigali Amendment to the MP [3] responses to the concerns about the Earth climate change. The refrigeration and AC sectors are attributed with about 7.8 % of global greenhouse gas emissions [4]. This contribution comes in the form of direct effect, which is related to refrigerant emissions from refrigeration systems (37 %), and in the form of indirect effect, which is related to CO2 emissions from fossil fuel power plants producing electricity to power refrigeration systems (63 %) [4]. The Kigali Amendment aims at reducing the direct effect. The effect a given molecule has on the climate change is quantified in a simplified manner by its Global Warming Potential (GWP), a relative index referencing the effect produced to that of the same mass of carbon dioxide released to the atmosphere. By definition, GWP of carbon dioxide is equal to one.While HFC refrigerants have on average a lower GWP than the CFCs and HCFCs they replaced, they are still potent greenhouse gases (GHGs). The Kigali Amendment phases down the use of HFCs by imposing a schedule for reducing a weighted GWP value to be implemented by a country through the year 2047 (Figure 1). It provides four paths depending on the country location and category assigned in the MP, and also prescribes a method for establishing the baseline consumption used for calculating GWP reductions. For developing countries, it is expected to bring the weighed GWP across all refrigeration applications down to about 300 from the baseline value of about 2000. The implementation of Kigali Amendment aims at reducing the future warming due to HFCs from the range of 0.3 °C to 0.5 °C to less than 0.1 °C [5]. While this reduction may seem to be small, it must be viewed in the context of the 2015 Paris Agreement [6], which calls for holding global warming to well below 2 °C and pursuing to limit global warming to 1.5 °C relative to pre-industrial levels [6]. Considering that average global temperatures reached 1 °C above pre-industrial levels for the first time in 2015 [7], the Earth is already within 1 °C of the “2 °C limit”.The low-GWP requirement narrows the pool of fluids that can be considered for application as a refrigerant [8]. This Informatory Note discusses low-GWP refrigerant options for major applications and presents their selection merits.

Yana Motta, Samuel↗

Molecular-Level Insights into the NMR Relaxivity of Gadobutrol Using Quantum and Classical Molecular Simulations

MRI is an indispensable diagnostic tool in modern medicine; however, understanding the molecular-level processes governing NMR relaxation of water in the presence of MRI contrast agents remains a challenge, hindering the molecular-guided development of more effective contrast agents. By using quantum-based polarizable force fields, the first-of-its-kind molecular dynamics (MD) simulations of Gadobutrol are reported where the 1 H NMR longitudinal relaxivity r 1 of the aqueous phase is determined without any adjustable parameters. The MD simulations of r 1 dispersion (i.e., frequency dependence) show good agreement with measurements at frequencies of interest in clinical MRI. Importantly, the simulations reveal key insights into the molecular level processes leading to r 1 dispersion by decomposing the NMR dipole–dipole autocorrelation function G(t) into a discrete set of molecular modes, analogous to the eigenmodes of a quantum harmonic oscillator. The molecular modes reveal important aspects of the underlying mechanisms governing r 1 , such as its multiexponential nature and the importance of the second eigenmodal decay. By simply analyzing the MD trajectories on a parameter-free approach, the Gadobutrol simulations show that the outer-shell water contributes ∼50% of the total relaxivity r 1 compared to the inner-shell water, in contrast to simulations of (nonchelated) gadolinium-aqua where the outer shell contributes only ∼15% of r 1 . The deviation between simulations and measurements of r 1 below clinical MRI frequencies is used to determine the low-frequency electron-spin relaxation time for Gadobutrol, in good agreement with independent studies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Pinning ångström-size solid ionic channels for rare-earth element separation

High-purity rare-earth elements are essential for modern technologies, yet current solvent extraction processes are energy-intensive and environmentally harmful because of inadequate selectivity and ligand toxicity. Although combining size exclusion and binding affinity can improve lanthanide separation, the role of long-range confinement remains underexplored. Here we report lanthanide separation in aqueous systems using extremely confined manganese oxide solid ionic channels with optimized layer spacing. Different lanthanides induce distinct solid-state phase transformations in manganese oxide, creating a strong driving force for separation. Two lanthanide groups, differing by ~1.4 Å in spacing, were identified and confirmed to be stable by density functional theory. The narrower confinement of heavier Group II lanthanides improves cross-group separation by increasing the dehydration barrier for lighter Group I lanthanides without inducing strong binding. Here, we further developed a strategy to pin the confinement dimensions and enhance same-group separation, increasing enrichment factors for La–Nd and La–Pr pairs from 1.6 ± 0.1 and 1.5 ± 0.1 to 5.4 ± 0.1 and 4.2 ± 0.1, respectively.

Chemical engineering↗

Gasoline Compression Ignition (GCI) on a Light-Duty Multi-Cylinder Engine Using a Wide Range of Fuel Reactivities and Heavy Fuel Stratification

Many research studies have focused on utilizing gasoline in modern compression ignition engines to reduce emissions and improve efficiency. Collectively, this combustion mode has become known as gasoline compression ignition (GCI). One of the biggest challenges with GCI operation is maintaining control over the combustion process through the fuel injection strategy, such that the engine can be controlled on a cycle-by-cycle basis. Research studies have investigated a wide variety of GCI injection strategies (i.e., fuel stratification levels) to maintain control over the heat release rate while achieving low temperature combustion (LTC). This work shows that at loads relevant to light-duty engines, partial fuel stratification (PFS) with gasoline provides very little controllability over the timing of combustion. On the contrary, heavy fuel stratification (HFS) provides very linear and pronounced control over the timing of combustion. However, the HFS strategy has challenges achieving LTC operation due to the air handling burdens associated with the high EGR rates that are required to reduce NOx emissions to near zero levels. In this work, a wide variety of gasoline fuel reactivities (octane numbers ranging from < 40 to 87) were investigated to understand the engine performance and emissions of HFS-GCI operation on a multi-cylinder light-duty engine. The results indicate that over an EGR sweep at 4 bar BMEP, the gasoline fuels can achieve LTC operation with ultra-low NOx and soot emissions, while conventional diesel combustion (CDC) is unable to simultaneously achieve low NOx and soot. At 10 bar BMEP, all the gasoline fuels were compared to diesel, but using mixing controlled combustion and not LTC.

Dempsey, Adam↗

Toward Mixed Analog-Digital Quantum Signal Processing: Quantum AD/DA Conversion and the Fourier Transform

Signal processing stands as a pillar of classical computation and modern information technology, applicable to both analog and digital signals. Recently, advancements in quantum information science have suggested that quantum signal processing (QSP) can enable more powerful signal processing capabilities. However, the developments in QSP have primarily leveraged digital quantum resources, such as discrete-variable (DV) systems like qubits, rather than analog quantum resources, such as continuous-variable (CV) systems like quantum oscillators. Consequently, there remains a gap in understanding how signal processing can be performed on hybrid CV-DV quantum computers. Here we address this gap by developing a new paradigm of mixed analog-digital QSP. We demonstrate the utility of this paradigm by showcasing how it naturally enables analog-digital conversion of quantum signals—specifically, the transfer of states between DV and CV quantum systems. We then show that such quantum analog-digital conversion enables new implementations of quantum algorithms on CV-DV hardware. This is exemplified by realizing the quantum Fourier transform of a state encoded on qubits via the free-evolution of a quantum oscillator, albeit with a runtime exponential in the number of qubits due to information theoretic arguments. Collectively, this work marks a significant step forward in hybrid CV-DV quantum computation, providing a foundation for scalable analog-digital signal processing on quantum processors.

42 ENGINEERING↗

Trilinos: Enabling Scientific Computing across Diverse Hardware Architectures at Scale

Trilinos is a community-developed, open-source software framework that facilitates building large-scale, complex, multiscale, multiphysics simulation code bases for scientific and engineering problems. Since the Trilinos framework has undergone substantial changes to support new applications and new hardware architectures, this document is an update to “An Overview of the Trilinos project” by Heroux et al. (ACM Transactions on Mathematical Software, 31(3):397–423, 2005). It describes the design of Trilinos, introduces its new organization in product areas, and highlights established and new features available in Trilinos. Particular focus is put on the modernized software stack based on the Kokkos ecosystem to deliver performance portability across heterogeneous hardware architectures. This article also outlines the organization of the Trilinos community and the contribution model to help onboard interested users and contributors.

Heterogeneous Hardware Architectures↗

Digital Transformation for the Existing Fleet: Where to Start?

To remain economically viable in today’s electricity marketplace, nuclear power plants are replacing old analog equipment with modern digital tools. Having information available in an electronic format allows most work processes to become more efficient by automating simple, time-consuming tasks. However, with thousands of routine work processes performed every day, it can be difficult for the plants to know where to begin. We partnered with a nuclear utility to develop a novel assessment tool that measures seven health indicators for each work process performed, providing a rapid digital status report of the plant. The assessment tool is inexpensive and user-friendly, administered remotely, and automatically customized to each employee. Data from 167 employees representing different perspectives were analyzed to identify optimal candidates for digital initiatives that yield the highest payback for increased process efficiencies. We ranked by a priority index to ensure that processes with a good combination of time savings and digital opportunity were at the top. The focus was on determining a maximum investment to ensure that the cost savings from these initiatives are positive over a specified period. We identified potential cost savings of $2.6m, $1.3m and $1.2m for our top priority processes. By using our novel assessment tool to determine the digital status of the plant’s work processes, they were provided with a starting point for target candidates that would most benefit from a digital initiative. Our analysis helps stakeholders understand the financial impact of digital initiatives and identify maximum investment amounts when seeking technical solutions.

assessment↗

Advanced EXAFS analysis techniques applied to the L -edges of the lanthanide oxides

The unique properties of the lanthanide (Ln) elements make them critical components of modern technologies, such as lasers, anti-corrosive films and catalysts. Thus, there is significant interest in establishing structure–property relationships for Ln-containing materials to advance these technologies. Extended X-ray absorption fine structure (EXAFS) is an excellent technique for this task considering its ability to determine the average local structure around the Ln atoms for both crystalline and amorphous materials. However, the limited availability of EXAFS reference spectra of the Ln oxides and challenges in the EXAFS analysis have hindered the application of this technique to these elements. The challenges include the limited k-range available for the analysis due to the superposition of L-edges on the EXAFS, multielectron excitations (MEEs) creating erroneous peaks in the EXAFS and the presence of inequivalent absorption sites. Herein, we removed MEEs to model the local atomic environment more accurately for light Ln oxides. Further, we investigated the use of cubic and non-cubic lattice expansion to minimize the fitting parameters needed and connect the fitting parameters to physically meaningful crystal parameters. The cubic expansion reduced the number of fitting parameters but resulted in a statistically worse fit. The non-cubic expansion resulted in a similar quality fit and showed non-isotropic expansion in the crystal lattice of Nd 2 O 3 . In total, the EXAFS spectra and the fits for the entire set of Ln oxides (excluding promethium) are included. The knowledge developed here can assist in the structural determination of a wide variety of Ln compounds and can further studies on their structure–property relationships.

36 MATERIALS SCIENCE↗

PSIP For HDF5 Pilot Project (Final Report)

Productivity and Sustainability Improvement Planning (PSIP) is a lightweight, incremental and iterative approach (much in the same spirit as Agile methodologies) for making routine software process improvements in software projects. It is designed to be easily applied in existing development workflows. Quoting from a November 2019 workshop paper describing PSIP. PSIP breaks from classic software process improvement approaches such as CMM(I), SPICE, ISO 9000 or Six Sigma, in that it trades comprehensive standards and certification-driven assessment for self-defined, internally driven goals. It does, however, carry forward such ideas as having staged models of improvement (like CMM(I)) in the form of progress tracking cards. Additionally, PSIP is more aligned with lean and agile methods; it adopts their emphasis on iterative improvement and continuous learning. At its core, PSIP is an instantiation of the Plan-Do-Check-Act management cycle (PDCA, also known as Plan-Do-Study-Adjust) which provides the foundation for much of the modern software process improvement literature. This situates PSIP within a constellation of bottom-up, inductive software process improvement methods. PSIP is designed around the notion that already overburdened teams can define and carry out a series of small, incremental steps of progression towards improvement goals without significant (there will be some, but the goal is to avoid significant) disruption to ongoing development activities. A key enabling tool in PSIP is the use of Progress Tracking Cards (PTCs) which define the steps of progression towards a given improvement goal. This is the theory of PSIP. The PSIP for HDF5 project was aimed at putting PSIP into practice with the purpose of evaluating its effectiveness in planning and facilitating quality and process improvements in a scientific software project as well as its associated artifacts. The HDF5 project was chosen as a use case to evaluate PSIP for several reasons. First, NNSA labs and LLNL in particular have a keen interest in how HDF5 quality impacts its uptake and sustainability as a community adopted and supported code. Next, HDF5 is a foundational library, a key substrate in the HPC/CSE software stack, and any improvements there realized through this contract will have benefits to many DOE applications depending on it. HDF5 also represents an older, legacy code with technical debts to pay down. These characteristics are similar to many NNSA and even some ECP code projects. But, because HDF5 is an I/O library, it represents a simpler use case within which to study PSIP than a full-fledged and significantly more complex PDE simulation code. We believe these attributes make HDF5 an ideal use case for evaluating PSIP.

97 MATHEMATICS AND COMPUTING↗

Dramatic Rebrightening of the Type-changing Stripped-envelope Supernova SN 2023aew

Abstract Multipeaked supernovae with precursors, dramatic light-curve rebrightenings, and spectral transformation are rare, but are being discovered in increasing numbers by modern night-sky transient surveys like the Zwicky Transient Facility. Here, we present the observations and analysis of SN 2023aew, which showed a dramatic increase in brightness following an initial luminous (−17.4 mag) and long (∼100 days) unusual first peak (possibly precursor). SN 2023aew was classified as a Type IIb supernova during the first peak but changed its type to resemble a stripped-envelope supernova (SESN) after the marked rebrightening. We present comparisons of SN 2023aew’s spectral evolution with SESN subtypes and argue that it is similar to SNe Ibc during its main peak. P-Cygni Balmer lines are present during the first peak, but vanish during the second peak’s photospheric phase, before H α resurfaces again during the nebular phase. The nebular lines ([O i ], [Ca ii ], Mg i ], H α ) exhibit a double-peaked structure that hints toward a clumpy or nonspherical ejecta. We analyze the second peak in the light curve of SN 2023aew and find it to be broader than that of normal SESNe as well as requiring a very high 56 Ni mass to power the peak luminosity. We discuss the possible origins of SN 2023aew including an eruption scenario where a part of the envelope is ejected during the first peak and also powers the second peak of the light curve through interaction of the SN with the circumstellar medium.

Sharma, Yashvi (ORCID:0000000345311745)↗

Building ControlScore: General Service Administration Office Building Deployment

Improvements to building control systems can lead to energy savings and increased occupant comfort. In an optimized system, process variables such as air temperature will closely follow their desired setpoints and avoid excess energy use. Typically, experts must manually inspect individual control loops to identify poor performance and opportunities for improvement. However, this approach is difficult in modern buildings that have a prohibitively large number of controllers. To address this issue, Pacific Northwest National Laboratory (PNNL) created the ControlScore concept, which takes operating data from the many controllers within a building and generates standardized scores for each loop on a scale of 0 to 10 (a score of 0 indicates poor control, a score of 10 indicates good control). PNNL applied the Building ControlScore application to all available data from a General Services Administration office building within the period of January 1, 2023, to March 9, 2023. The building scored a 4.7 overall, with all 74 of the building’s loops fitting a roughly normal distribution centered around 5. These results indicate that the analyzed systems have below-average performance with room for improvement, especially in the poorly scored systems. Airflow loops tended to have much lower scores than zone temperature loops. The lowest and highest performing systems in the building section were identified, as were all loops with a score less than 1. While the ControlScore identifies loops and systems that aren’t meeting their designated setpoints, it does not indicate the cause of those issues. For example, consider a supply air terminal unit’s airflow loop that received a low score due to it delivering less air than specified by the setpoint. The lower-than-desired airflow could be due to equipment limitations (e.g., the terminal unit or duct serving is too small to accommodate that airflow), malfunctioning equipment (e.g., a stuck damper or bad sensor), or something else entirely. The ControlScore does not diagnose problems it simply identifies the symptoms that can be explored and addressed by building operators.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Gasoline Compression Ignition on a Light-Duty Multi-Cylinder Engine Using a Wide Range of Fuel Reactivities and Heavy Fuel Stratification

Many research studies have focused on utilizing gasoline in modern compression ignition engines to reduce emissions and improve efficiency. Collectively, this combustion mode has become kn+own as gasoline compression ignition (GCI). One of the biggest challenges with GCI operation is maintaining control over the combustion process through the fuel injection strategy, such that the engine can be controlled on a cycle-by-cycle basis. Research studies have investigated a wide variety of GCI injection strategies (i.e., fuel stratification levels) to maintain control over the heat release rate while achieving low-temperature combustion (LTC). This work shows that at loads relevant to light-duty engines, partial fuel stratification (PFS) with gasoline provides very little controllability over the timing of combustion. On the contrary, heavy fuel stratification (HFS) provides very linear and pronounced control over the timing of combustion. However, the HFS strategy has challenges achieving LTC operation due to the air handling burdens associated with the high exhaust gas recirculation (EGR) rates that are required to reduce NOx emissions to near zero levels. In this work, a wide variety of gasoline fuel reactivities (octane numbers ranging from <40 to 87) were investigated to understand the engine performance and emissions of HFS-GCI operation on a multi-cylinder light-duty engine. Overall, the results indicate that over an EGR sweep at 4 bar brake mean effective pressure (BMEP), the gasoline fuels can achieve LTC operation with ultra-low NO x and soot emissions, while conventional diesel combustion (CDC) is unable to simultaneously achieve low NO x and soot. At 10 bar BMEP, all the gasoline fuels were compared to diesel, but using mixing controlled combustion and not LTC.

33 ADVANCED PROPULSION SYSTEMS↗

Critical review of functionalized silica sorbent strategies for selective extraction of rare earth elements from acid mine drainage

We report the ubiquitous and growing global reliance on rare earth elements (REEs) for modern technology and the need for reliable domestic sources underscore the rising trend in REE-related research. Adsorption-based methods for REE recovery from liquid waste sources are well-positioned to compete with those of solvent extraction, both because of their expected lower negative environmental impact and simpler process operations. Functionalized silica represents a rising category of low cost and stable sorbents for heavy metal and REE recovery. These materials have collectively achieved high capacity and/or high selective removal of REEs from ideal solutions and synthetic or real coal wastewater and other leachate source. These sorbents are competitive with conventional materials, such as ion exchange resins, activated carbon; and novel polymeric materials like ion-imprinted particles and metal organic frameworks (MOFs). This critical review first presents a data mining analysis for rare earth element recovery publications indexed in Web of science, highlighting changes in REE recovery research foci and confirming the sharply growing interest in functionalized silica sorbents. A detailed examination of sorbent formulation and operation strategies to selectively separate heavy (HREE), middle (MREE), and light (LREE) REEs from the aqueous sources is presented. Selectivity values for sorbents were largely calculated from available figure data and gauged the success of the associated strategies, primarily: (1) silane-grafted ligands, (2) impregnated ligands, and (3) bottom-up ligand/silica hybrids. These were often accompanied by successful co-strategies, especially bite angle control, site saturation, and selective REE elution. Recognizing the need to remove competing fouling metals to achieve purified REE “baskets,” we highlight techniques for eliminating these species from acid mine drainage (AMD) and suggest a novel adsorption-based process for purified REE extraction that could be adapted to different water systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Closed‐Loop Recyclable Vitrimer Plastics from PET Waste: A Design for Circularity

Plastics are essential to modern society, but their low recycling rates and inefficient end-of-life management pose a significant environmental challenge. Herein, the efficient strategy for upcycling postconsumer poly(ethylene terephthalate) (PET) waste into robust, closed-loop recyclable vitrimer plastics and composites is presented to address this issue. The catalyst-free aminolysis utilizes readily available amines to deconstruct diverse PET wastes into macromonomers, which are upcycled into vitrimers, exhibiting superior mechanical properties and exceeding the ultimate tensile stress and Young's Modulus of virgin PET by 80% and 150% respectively. These vitrimers exhibit excellent healability, shape memory, thermal reprocessability, and closed-loop chemical recyclability, enabling quantitative macromonomer recovery even from mixed plastic waste streams and glass/carbon fiber reinforced vitrimer (G/CFRV) composites. Furthermore, the vitrimer resin yields robust GFRV and CFRV composites with tensile strengths exceeding those of traditional epoxy composites by 100% and 80%, respectively, while maintaining complete chemical recyclability of both constituent materials. A preliminary technoeconomic analysis confirms the costeffectiveness and competitiveness of the facile PET deconstruction approach, which is potentially adaptable to other condensation polymers. Further, this study presents a facile approach to upcycling plastic waste into circular plastics and composites, offering a sustainable solution to global plastic waste management and fostering a circular economy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗