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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Linear and Nonlinear X-ray Spectra of Chiral Molecules: X-ray Circular Dichroism, Sum- and Difference-Frequency Generation of Fenchone and Cysteine

Recent advancements in X-ray light sources enable element-sensitive nonlinear spectroscopies for probing molecular chirality. We simulate X-ray absorption spectroscopy, X-ray circular dichroism (XCD), and nonlinear optical/X-ray SFG and DFG (OX SFG/DFG) signals for two prototypical chiral molecules, fenchone and cysteine. Furthermore, our multireference simulations reproduce experimental data and reveal how novel X-ray spectroscopies exploit the site- and element-sensitivity of X-rays to uncover molecular asymmetry. The XCD spectra show strong asymmetries at chiral centers, while distant atoms contribute weaker signals. The OX SFG/DFG signals, under fixed resonant optical excitation, strongly depend on the core and valence excitations. This allows us to introduce two-dimensional (2D) chirality-sensitive valence-core spectroscopy, which provides insight into the overlap between valence orbitals and local molecular asymmetry. Finally, our estimates using realistic laser and X-ray pulse parameters demonstrate that such nonlinear experiments are feasible at XFELs, offering a promising tool for investigating chiral molecules.

Circular dichroism spectroscopy↗
DOE OSTI2023

Integrated Circular Economy Model System for Direct Lithium Extraction: From Minerals to Batteries Utilizing Aluminum Hydroxide

Aluminum hydroxide, an abundant mineral found in nature, exists in four polymorphs: gibbsite, bayerite, nordstrandite, and doyleite. Among these polymorphs gibbsite, bayerite, and commercially synthesized amorphous aluminum hydroxide have been investigated as sorbent materials for lithium extraction from sulfate solutions. The amorphous form of Al(OH) 3 exhibits a reactivity higher than that of the naturally occurring crystalline polymorphs in terms of extracting Li + ions. This study employed high-temperature oxide melt solution calorimetry to explore the energetics of the sorbent polymorphs. The enthalpic stability order was measured to be gibbsite > bayerite > amorphous Al(OH) 3 . The least stable form, amorphous Al(OH) 3 , undergoes a spontaneous reaction with lithium, resulting in the formation of a stable layered double hydroxide phase. Consequently, amorphous Al(OH) 3 shows promise as a sorbent material for selectively extracting lithium from clay mineral leachate solutions. Further, this research demonstrates the selective direct extraction of Li + ions using amorphous aluminum hydroxide through a liquid–solid lithiation reaction, followed by acid-free delithiation and relithiation processes, achieving an extraction efficiency of 86%, and the maximum capacity was 37.86 mg·g –1 in a single step during lithiation. With high selectivity during lithiation and nearly complete recoverability of the sorbent material during delithiation, this method presents a circular economy model. Furthermore, a life cycle analysis was conducted to illustrate the environmental advantages of replacing the conventional soda ash-based precipitation process with this method, along with a simple operational cost analysis to evaluate reagent and fuel expenses.

25 ENERGY STORAGE↗
DOE OSTI2025

Control over Banded Morphologies and Circular Dichroism in Chiral Halide Perovskites

Chiral halide perovskites (c-HPs) merge the chirality of organic cations with the semiconducting properties of metal halide frameworks, creating a family of chiral semiconductors with tunable chiroptoelectronic behavior. Here, we describe the impact of periodic banded morphologies of textured c-HP ( R/S -NEA) 2 PbBr 4 films (NEA = 1- (1-naphthyl)ethylammonium) on their chiroptical behavior. Due to the interplay between the crystalline and glassy phases, the c-HP film growth is driven by rhythmic precipitation, producing a distinctive controllable radial banded pattern with the ( R/S -NEA) 2 PbBr 4 inorganic planes oriented parallel to the substrate. The banded morphology can be controlled, as evidenced by the growth temperature dictating the ridge-to-ridge spacing as well as the density of banded regions. The resulting circular dichroism (CD) spectral shape, intensity, and polarity vary in a seemingly random manner across processing conditions. However, these spectral features can be explained by considering key features of the banded morphology, such as refraction of the incident light due to surface morphology, birefringence, and stacked, rotated crystallites. These effects cannot be canceled by averaging front and back CD spectra of c-HP films, and our model incorporating these effects reproduces all observed CD spectra remarkably well. The control over the c-HP morphology and prediction capabilities of our CD modeling leads to further understanding of this class of semiconductors and the possibility of exploiting structural features for light polarization control akin to enhanced metamaterials.

14 SOLAR ENERGY↗
DOE OSTI2024

Emergence of a Low-Energy Peak in the Smoothed Absolute Value Circular Dichroism Spectra of Small Helical Gold Nanorods

We calculate, using time-dependent density functional theory, absorption and circular dichroism (CD) spectra for a series of small helical gold nanorod structures with a width of 0.6 nm and length increasing from 0.7 nm for Au 24 to 1.9 nm for Au 56 . For a low-energy window, ranging from 1.7 to 4.1 eV, broadening the lines in the absorption spectra results in a low energy peak which previous studies have identified as the (localized) plasmon resonance. As expected, the absorption peak position of the plasmon resonance systematically redshifts as the length of the nanorod increases. However, trends in the CD and straightforwardly broadened CD spectra are more difficult to discern. We introduce the idea of an absolute value CD spectrum and show that broadening the lines results in a low energy peak that has not previously been reported. The peak position systematically redshifts as the length of the nanorod increases but over a significantly smaller range than that for the absorption spectrum.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2025

Coupling Waste Feedstocks to Microbial Protein Production in a Circular Food System

Global food production is a major contributor to greenhouse gas emissions, water consumption, and land use. As an alternative to conventional agriculture, the production of waste-derived microbial protein (MP) holds promise for reducing environmental impacts. MP can be mass-produced in volumetrically scalable fermentation processes on short time scales, enabling facile scale-up with lower greenhouse gas emissions, land use, and water impacts than animal and, in some cases, plant protein. MP can also be produced from waste feedstocks, diverting waste from landfills or the natural environment. This Perspective explores the availability and suitability of waste feedstocks for MP production, suggesting that MP generated from waste feedstocks in the United States could fulfill twice the current national protein demand. Here, we also discuss the biotechnological and separations processes required to produce food-grade MP for human consumption from waste. Key challenges include MP consistency, consumer and regulatory acceptance, and the process utilities (electricity, heat, and nutrients) that account for up to 85% of MP costs and most environmental impacts, all of which present opportunities for innovation in the microbiology and process design spaces. Overall, this work highlights the potential of MP to contribute to a more circular, resilient, and sustainable food system.

09 BIOMASS FUELS↗
DOE OSTI2024

Toward a Circular Bioeconomy: Designing Microbes and Polymers for Biodegradation

Polymer production is rapidly increasing, but there are no large-scale technologies available to effectively mitigate the massive accumulation of these recalcitrant materials. One potential solution is the development of a carbon-neutral polymer life cycle, where microorganisms convert plant biomass to chemicals, which are used to synthesize biodegradable materials that ultimately contribute to the growth of new plants. Realizing a circular carbon life cycle requires the integration of knowledge across microbiology, bioengineering, materials science, and organic chemistry, which itself has hindered large-scale industrial advances. This review addresses the biodegradation status of common synthetic polymers, identifying novel microbes and enzymes capable of metabolizing these recalcitrant materials and engineering approaches to enhance their biodegradation pathways. Design considerations for the next generation of biodegradable polymers are also reviewed, and finally, opportunities to apply findings from lignocellulosic biodegradation to the design and biodegradation of similarly recalcitrant synthetic polymers are discussed.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Theory predicts 2D chiral polaritons based on achiral Fabry–Pérot cavities using apparent circular dichroism

Abstract Realizing polariton states with high levels of chirality offers exciting prospects for quantum information, sensing, and lasing applications. Such chirality must emanate from either the involved optical resonators or the quantum emitters. Here, we theoretically demonstrate a rare opportunity for realizing polaritons with so-called 2D chirality by strong coupling of the optical modes of (high finesse) achiral Fabry–Pérot cavities with samples exhibiting “apparent circular dichroism” (ACD). ACD is a phenomenon resulting from an interference between linear birefringence and dichroic interactions. By introducing a quantum electrodynamical theory of ACD, we identify the design rules based on which 2D chiral polaritons can be produced, and their chirality can be optimized.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Research and Development Priorities for Silicon Photovoltaic Module Recycling to Support a Circular Economy

Large-scale deployment of photovoltaic (PV) modules has considerably increased in recent decades. Given an estimated lifetime of 30 years, the challenge of how to handle large volumes of end-of-life PV modules is starting to emerge. In this Perspective, we assess the global status of practice and knowledge for end-of-life management for crystalline silicon PV modules. We focus in particular on module recycling, a key aspect in the circular economy of photovoltaic panels. We recommend research and development to reduce recycling costs and environmental impacts compared to disposal while maximizing material recovery. We suggest that the recovery of high-value silicon is more advantageous than the recovery of intact silicon wafers. This approach requires the identification of contaminants and the design of purification processes for recovered silicon. The environmental and economic impacts of recycling practices should be explored with techno–economic analyses and life-cycle assessments to optimize solutions and minimize trade-offs. As photovoltaic technology advances rapidly, it is important for the recycling industry to plan adaptable recycling infrastructure.

c-Si↗
DOE OSTI2024

Tough and circular glass fiber composites via a tailored dynamic boronic ester interface

Glass fiber reinforced polymer (GFRP) composites are valued for their strength and cost-effectiveness. However, traditional GFRPs often face challenges for end-of-life recycling due to their non-depolymerizable thermoset matrices, and long-term performance due to inadequate interfacial adhesion, which can lead to fiber–matrix delamination. Here, in this work, we have designed dynamic fiber–matrix interfaces to allow tough and closed-loop recyclable GFRPs by utilizing a vitrimer, derived from upcycled polystyrene-b-poly(ethylene-co-butylene)-b-polystyrene (SEBS) with boronic ester (S-Bpin) and amine-based diol crosslinker. The boronic ester groups in S-Bpin form dynamic covalent bonds with the naturally present hydroxyl groups on the unsized GF surface, which eliminates the need for fiber sizing and enables facile closed-loop recyclability of both the fibers and the vitrimer matrix. The resulting strong fiber–matrix interface, depicted by the Raman mapping, leads to a 552% increase in-plane shear toughness (6.2 ± 0.3 MJ m -3 ) and 27% ultimate tensile strength (361 ± 89.2 MPa) compared to those of the conventional epoxy-based matrix (0.95 ± 0.05 MJ m -3 and 264 ± 59.7 MPa, respectively). The network rearrangement through dynamic boronic ester exchange enables fast thermoformability and repairability of micro-cracks at elevated temperatures. Additionally, both the matrix and composite demonstrate strong adhesion to various surfaces including steel and glasses exhibiting ≥6 MPa lap shear strength, which expands their suitability for diverse industrial applications. The readily created dynamic interface between boronic ester functionalized vitrimer and neat GFs presents a promising strategy for developing closed-loop recyclable, multifunctional structural materials, offering a sustainable alternative to non-recyclable thermoset GFRPs and contributes to a circular economy in composite materials.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Mapping the end-of-life of chemicals for circular economy opportunities

Material flow analysis of chemicals in the United States highlights low recycling rates, substantial climate change and human health impacts, and the potential for a circular economy to reduce waste and drive sustainability in the chemical industry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Observation of spontaneous x-ray magnetic circular dichroism in a chiral antiferromagnet

X-ray magnetic circular dichroism (XMCD) signals are usually absent in antiferromagnets. In this paper, we report the observation of spontaneous XMCD spectra originating from the inverse triangular spin structure, or the polarization of the cluster magnetic octupole, in the chiral antiferromagnet Mn 3 Sn thin film. Finally, the result is consistent with the recent theoretical predictions that the inverse triangular spin structure can give rise to finite XMCD signals in the absence of net magnetization [J. Phys. Soc. Jpn 89, 083703 (2020) and Phys. Rev. Lett. 126, 157402 (2021)].

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Origin of circular dichroism in resonant elastic x-ray scattering from magnetic and polar chiral structures

Circular dichroism in resonant elastic x-ray scattering (CD-REXS) has recently been observed in chiral structures composed of multiferroic materials as well as magnetic moments or electric polarization vectors. In order to comprehensively understand the experimental results of these previous studies, we present here in detail the analytical formulation of CD-REXS for one-dimensional helices composed of magnetic moments and electric polarization vectors, respectively. In particular, by comparing CD-REXS for a proper-screw-shaped Bloch-type helix and cycloid-shaped Néel-type helix, we found that CD-REXS for both magnetic and polar helices can discriminate between both types of helices. We also found that the x-ray polarization factor depending on the scattering geometry is a significant factor in determining the characteristics of CD-REXS for chiral structures. The results obtained from the detailed formulas can be intuitively understood using the concept of mirror reflection. In particular, in this way it can be understood that Bloch- and Néel-type helices correspond to truly chiral and achiral structures, respectively, and why CD-REXS is able to distinguish between these two types of helices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Novel High-Power Microwave Circulator Employing Circularly Polarized Waves

A novel four-port circulator is presented which uses an inline ferromagnetic element to allow for transmission or reflection depending on the sense of the incident circularly polarized wave. This configuration has been shown to reduce the dependency on ferrite anisotropy and support higher power, low rf loss, operation. An analytic analysis of this device is presented here alongside corroborating cold test data of the first prototype. High-power operation was performed at 2.856 GHz, with input power levels up to 8 MW for 3.5 μs in a pressurized nitrogen environment. The results from this research not only demonstrate ability to eliminate the use of greenhouse insulators, such as SF6, but also provide conceptual groundwork for a new class of ultrahigh power (50 MW+) nonreciprocal networks including circulators, isolators, phase shifters, and rf switches.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Combining Agent Based Modeling and System Dynamics to Investigate the Circularity of Plastics

The United States currently produces about 1 million metric ton of ocean plastic pollution annually. One proposed solution to combat plastic waste is a circular economy (CE), which aims to transition from today's take-make-waste linear pattern of production and consumption to a system where the value of resources is maximized over time. Two key methods in industrial ecology are useful in assessing the viability of CE: (1) System Dynamics (SD) and (2) Agent Based Modeling (ABM). In prior work, the plastic life cycle was modeled with SD and ABM. The two models calculate recycling rates and costs in different ways, making it difficult to pinpoint necessary next steps. We integrate the ABM and SD models - linking the emergent patterns from micro-level human decisions to system level processes - which allows a more comprehensive understanding of feedbacks, costs, and environmental impacts. The integrated model is more accurate, and can be used to visualize recycling rates and human health and environmental impacts over time. The difference between the integrated and original SD model prompts a Sobol sensitivity analysis, which is used to understand which behavioral factors most affect plastic recycling patterns. We find that the habitual component is typically the most influential in promoting positive recycling behavior. Additionally, we utilize the combined model to understand and visualize how various behavioral intervention scenarios, like improved access to recycling programs and cart tagging, influence recycling patterns; these results can guide future policy-making.

agent-based modeling↗
DOE OSTI2023

Circular Plastics Technologies: Depolymerization of Polymers Into Parent Monomers

While most commodity plastics were not designed to easily depolymerize, some common plastics can be broken down into their parent monomers in the presence of heat, pressure, catalysts, and/or solvent. Here, we provide a high-level overview of the depolymerization technologies that have been studied and/or scaled as promising monomer-loop recycling processes for selective plastic waste streams. Namely, commodity plastics that are considered unzippable/depolymerizable include polyethylene terephthalate, polyamides, polymethyl methacrylate, and polystyrene. Monomer-loop recycling technologies are one of several pathways toward a circular economy for plastics.

circularity↗
DOE OSTI2022

Environmental and Circular Economy Implications of Solar Energy in a Decarbonized U.S. Grid

This report addresses environmental and circular economy (CE) considerations related to solar technologies via novel analysis of the three Solar Futures core scenarios as well as synthesis of published research. We organize these issues into the three basic life cycle phases of a solar technology: manufacturing, operation (including site selection and construction), and EOL. Related environmental justice issues are also explored. Finally, we recommend research and development (R&D) activities that could help clarify challenges and identify solutions. Because PV deployment is projected to be much larger than CSP deployment, we offer a more detailed analysis of PV-related issues.

14 SOLAR ENERGY↗
DOE OSTI2025

Recycling Disassembled Automotive Plastic Components for New Vehicle Components: Enabling the Automotive Circular Economy

As the automotive industry increasingly relies on plastic components to meet fuel efficiency and emissions targets, the challenge of managing end-of-life vehicle (ELV) plastics continues to grow. Currently, more than 80% of ELV plastics in the U.S. are landfilled due to limited economic incentives and technical barriers to recycling. This study examines a mechanical recycling pathway for thermoplastic components disassembled from ELVs and assesses their usability for reintegration into new vehicle parts. Four representative materials were chosen based on material labels embedded in recovered parts and aligned with their virgin industrial equivalents: polypropylene (PP), 10% talc-filled PP (PP-T10), 20% talc-filled PP (PP-T20), and a 20% glass-/mineral-filled polyamide (PA6 + GF7 + MF13). The materials underwent shredding, drying, and injection molding before being characterized by particle size analysis, density measurement, thermal analysis (TGA, DSC), mechanical testing, and heat deflection temperature (HDT) evaluation. The results in this work indicated that minor differences in crystallinity were observed and small differences between model materials and ELV materials could have contributed to these changes. Mechanical testing revealed that neat polypropylene suffered a 15–20% reduction in stiffness and tensile strength, but talc-filled polypropylene and glass/mineral-filled nylon retained >90% of their modulus, strength, and heat deflection temperature values relative to virgin controls. Differences between virgin and ELV materials could have been attributed to use life degradation, contamination during use life, or even chemical/processing differences in model materials and ELV materials. However, these findings suggest that mechanically recycled, disassembled ELV plastics can retain sufficient structural performance to support circularity efforts in the automotive sector.

automotive recycling↗