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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Biodegradable Biocomposite Development for Large Scale Additive Manufacturing

Oak Ridge National Laboratory (ORNL) worked with Mitsubishi Chemical America, Inc. to develop a highly biodegradable ~100% biobased feedstock for large format additive manufacturing (AM). Together, they developed an AM feedstock based on the biobased polyester, polybutylene succinate (PBS), that is typically used in agriculture and packaging projects. The motivation for this work was to leverage the high degradability of this polymer in AM to create a new avenue for end-of-life disposal of the product. A composite feedstock was developed from PBS, polylactic acid (PLA), and wood flour (WF). While WF improves printability, reduces feedstock cost, and can improve stiffness, it also often results in a loss in tensile strength which can inhibit/limit applications of the material. To recover the loss in tensile strength suffered by including large quantities, up to 30 wt.% WF in the composite, a chain extender was used to compatibilize the different composite constituents with each other. The feedstock was used to 3D-print a demonstration mold for precast concrete catch basins and was tested by casting 750 lbs of concrete. The mold survived the demonstration. Aerobic degradation testing of the composite feedstock showed that it was highly degradable, 40% biodegradation after 90 days, compared to other incumbent biobased feedstocks.

100% biobased feedstock for large format additive ↗
DOE OSTI2014

High-Rate Fabrication of a-Si-Based Thin-Film Solar Cells Using Large-Area VHF PECVD Processes

The University of Toledo (UT), working in concert with it’s a-Si-based PV industry partner Xunlight Corporation (Xunlight), has conducted a comprehensive study to develop a large-area (3ft x 3ft) VHF PECVD system for high rate uniform fabrication of silicon absorber layers, and the large-area VHF PECVD processes to achieve high performance a-Si/a-SiGe or a-Si/nc-Si tandem junction solar cells during the period of July 1, 2008 to Dec. 31, 2011, under DOE Award No. DE-FG36-08GO18073. The project had two primary goals: (i) to develop and improve a large area (3 ft × 3 ft) VHF PECVD system for high rate fabrication of > = 8 Å/s a-Si and >= 20 Å/s nc-Si or 4 Å/s a-SiGe absorber layers with high uniformity in film thicknesses and in material structures. (ii) to develop and optimize the large-area VHF PECVD processes to achieve high-performance a-Si/nc-Si or a-Si/a-SiGe tandem-junction solar cells with >= 10% stable efficiency. Our work has met the goals and is summarized in “Accomplishments versus goals and objectives”.

14 SOLAR ENERGY↗
DOE OSTI2026

Carbon Capture Pilot at Vicksburg Containerboard Mill (Final Technical Report)

This is the final technical report for the DOE-OCED project DE-CD0000051. The report provides the progress at the close of the project. The objective of the project is to design and build a large pilot plant for carbon dioxide (CO 2 ) capture from a pulp and paper (P&P) mill using RTI’s non-aqueous solvent (NAS) technology at a capacity of 120,000 t-CO 2 /year, with >90% CO 2 captured. The pilot plant will be used for testing and evaluating the NAS capture process using real flue gas from the P&P mill’s power boiler for a minimum of 1 year of parametric testing and a minimum of 2,000 hours of continuous long-term testing. The testing will provide data for process optimization and scale-up for the P&P industry, provide information on interaction of flue gas contaminants on solvent performance and degradation, and inform strategies for emission control. At the end of the project, the pilot plant will be managed by International Paper (IP), the host site owner, which will continue to capture CO 2 , sequester the captured CO 2 , and be eligible for the 45Q credit.

42 ENGINEERING↗
DOE OSTI2021

Broadband Circular Polarizers via Coupling in 3D Plasmonic Meta-Atom Arrays

In this work, we report broadband circular polarizers achieved by engineering the electromagnetic coupling between 3D meta-atoms in large-area arrays. The 3D meta-atoms are composed of bulk Au/Au nanocrystal (NC) bilayer helical arms, tailored in their number, length, and curvature through a one-step patterning process and postfabrication chemical and thermal treatments. By tuning the meta-atom array periodicity, hybridization originating from dipole–dipole and quadrupole–quadrupole interactions broadens the chiral response. We demonstrate circular polarizers operating at wavelengths spanning 2.5 to 5 μm, with a maximal transmission difference between left- and right-hand circularly polarized light of 43%.

3D metamaterials↗
DOE OSTI2014

High resolution transmission electron microscopic in-situ observations of plastic deformation of compressed nanocrystalline gold

Nanocrystalline (nc) metals possess extremely high strength, while their capability to deform plastically has been debated for decades. Low ductility has hitherto been considered an intrinsic behavior for most nc metals, due to the lack of five independent slip systems actively operating during deformation in each nanograin. Here we report in situ high resolution transmission electron microscopic (HRTEM) observations of deformation process of nc gold under compression, showing the excellent ductility of individual and aggregate nanograins. Compression causes permanent change in the profile of individual nanograins, which is mediated by dislocation slip and grain rotation. The high rate of grain boundary sliding and large extent of widely exited grain rotation may meet the boundary compatibility requirements during plastic deformation. The in situ HRTEM observations suggest that nc gold is not intrinsically brittle under compressive loading.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Mechanistic Insights toward Accelerated Selenium-Catalyzed Allylic and Propargylic C–H Amination

Catalytic allylic and propargylic C–H aminations present valuable opportunities for the late-stage modification of pharmacophores in drug discovery. However, modern methodology is limited by reliance on expensive transition metal catalysts or slow reactivity. While selenium-catalyzed methods avoid some of these issues, in their current state, they require high catalyst loadings (15 mol %), superstoichiometric quantities of the amine and oxidant source, and long reaction times. Furthermore, our understanding of the mechanism remains incomplete: e.g., what is the catalytically active species, how is the precatalyst converted to it, and what is the role of the ligand? Here, in this paper, we report an N-heterocyclic carbene selenide (NHC-Se) that allows for substantially reduced loadings of selenium without sacrificing reaction time, improves conversions and yields for challenging substrates, and even exhibits the capacity to catalyze 1,4-allylic diamination of alkenes. To understand the origin of the enhanced activity compared to the state-of-the-art NHC-Se precatalyst, we conducted a mechanistic study that supports ligand-free selenium diimide as the active enophile in these systems, while the NHC-derived byproducts, like the corresponding urea, facilitate turnover. We also isolate and structurally characterize NHC-Se mono- and diimido species and explore their mechanistic role. Thus, this work advances C–H amination methodology, our understanding of its mechanistic underpinnings, and selenium chemistry at large.

allylic amination↗
DOE OSTI2023

Discovery and construction of surface kagome electronic states induced by p-d electronic hybridization in Co3Sn2S2

Abstract Kagome-lattice materials possess attractive properties for quantum computing applications, but their synthesis remains challenging. Herein, based on the compelling identification of the two cleavable surfaces of Co 3 Sn 2 S 2 , we show surface kagome electronic states (SKESs) on a Sn-terminated triangular Co 3 Sn 2 S 2 surface. Such SKESs are imprinted by vertical p-d electronic hybridization between the surface Sn (subsurface S) atoms and the buried Co kagome-lattice network in the Co 3 Sn layer under the surface. Owing to the subsequent lateral hybridization of the Sn and S atoms in a corner-sharing manner, the kagome symmetry and topological electronic properties of the Co 3 Sn layer is proximate to the Sn surface. The SKESs and both hybridizations were verified via qPlus non-contact atomic force microscopy (nc-AFM) and density functional theory calculations. The construction of SKESs with tunable properties can be achieved by the atomic substitution of surface Sn (subsurface S) with other group III-V elements (Se or Te), which was demonstrated theoretically. This work exhibits the powerful capacity of nc-AFM in characterizing localized topological states and reveals the strategy for synthesis of large-area transition-metal-based kagome-lattice materials using conventional surface deposition techniques.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Reconstruction of neutrino induced NC-1π{sup 0} using the T2K-ND280 tracker

Single π{sup 0} production is the one of the most important backgrounds in the υ{sub e} appearance measurement in T2K. Large uncertainties in this production make it difficult to predict. Measurement at the near detector (ND280) is required both to constrain the background prediction at the far detector (Super-K) and also at the near detector to improve knowledge of beam υ{sub e} contamination. We present an analysis based on Monte Carlo simulation of neutral current (NC) single π{sup 0} in the tracker region. NC-1π{sup 0} events are selected using a specific two-gamma signature in the tracker region. One decay gamma is reconstructed by selecting an e+/e− pair starting in the Fine-Grained target Detector (FGD) and extending into the TPC, where the leptons can be identified and their momentum measured accurately. The second gamma is then selected in-time in the Calorimeter modules surrounding the tracker. Selections cuts, efficiency and purity of the selection are presented and projection of the expected number of single π{sup 0} candidates for 3 × 10{sup 20} protons on target (PoT) exposure is made.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Crystallized Silicon Nanostructures - Experimental Characterization and Atomistic Simulations

We have synthesized silicon nanocrystalline structures from thermal annealing of thin film amorphous silicon-based multilayers. The annealing procedure that was carried out in vacuum at temperatures up to 1100 °C is integrated in a X-ray diffraction (XRD) setup for real-time monitoring of the formation phases of the nanostructures. The microstructure of the crystallized films is investigated through experimental measurements combined with atomistic simulations of realistic nanocrystalline silicon (nc-Si) models. The multilayers consisting of uniformly alternating thicknesses of hydrogenated amorphous silicon and silicon oxide (SiO2) were deposited by plasma enhanced chemical vapor deposition on crystalline silicon and Corning glass substrates. The crystallized structure consisting of nc-Si structures embedded in an amorphous matrix were further characterized through XRD, Raman spectroscopy, and Fourier transform infrared measurements. We are able to show the different stages of nanostructure formation and how the sizes and the crystallized mass fraction can be controlled in our experimental synthesis. The crystallized silicon structures with large crystalline filling fractions exceeding 50% have been simulated with a robust classical molecular dynamics technique. The crystalline filling fractions and structural order of nc-Si obtained from this simulation are compared with our Raman and XRD measurements.

36 MATERIALS SCIENCE↗
DOE OSTI2014

First Look at Smoke Emissions from Prescribed Burns in Long-unburned Longleaf Pine Forests

While fire has long played a role in the longleaf pine ecosystem, there are still some stands in the southeastern United States where fire has not been reintroduced and fuels have accumulated for 50 years or more. As part of a larger study examining fuel loading and smoke emissions on Department of Defense installations in the southeastern U.S., fuels and trace emissions were measured during three prescribed burns at Ft. Jackson Army Base near Columbia, South Carolina in November 2011. These pine-forest understory fires provided valuable emissions data for fires that burned in stands that had little or no exposure to fire for decades. Smoke emissions were measured on the ground and from an aircraft by scientists from a large team of atmospheric researchers. (Akagi et al., 2013) To characterize initial emissions in the lofted plume and in point sources of residual smoldering combustion, trace-gas species were measured using an airborne FTIR and a ground-based FTIR, respectively. Whole-air sampling canisters were also collected from both ground- and airborne-based platforms. A total of 97 trace gases were quantified in this work, largely via infrared spectroscopy. Selected emissions data were compared with similar data collected from prescribed burns sampled in coastal North Carolina in 2010 in younger fuels beds of loblolly/longleaf stands near Camp Lejeune (Burling et al., 2011). The emission factors measured in this work differ by ~13-195% to EF measured from the managed stands at Camp Lejeune for organic and N-containing species, suggesting that fire emissions in similar ecosystems can exhibit large variability. Part of the differences, however, may be ascribed to burn conditions as well since the NC burns were during the wet season whereas the SC stands were burned after an extended drought. We also report the first detailed FTIR emissions data for a suite of monoterpenes. Figure 1 displays the emission factors (g/kg fuel) for several monoterpenes and isoprene as measured by the ground-based FTIR system. Due to their unsaturated structure, terpenes are highly reactive compounds emitted from plants thought to contribute to secondary organic aerosol formation (SOA) (Saathoff et al., 2009; Hennigan et al., 2011) and the formation of small oxygenated volatile organic compounds (OVOCs) (Jacob et al., 2002) in fire plumes. The known chemistry and measured abundance of monoterpenes suggests that these species impacted secondary plume processes including ozone, OVOC, and SOA formation in sampled plumes within the first few hours after emission.

biomass burning↗
DOE OSTI2017

Hierarchical Materials Design by Pattern Transfer Printing of Self-Assembled Binary Nanocrystal Superlattices

We demonstrate the fabrication of hierarchical materials by controlling the structure of highly ordered binary nanocrystal superlattices (BNSLs) on multiple length scales. Combinations of magnetic, plasmonic, semiconducting, and insulating colloidal nanocrystal (NC) building blocks are self-assembled into BNSL membranes via the liquid–interfacial assembly technique. Free-standing BNSL membranes are transferred onto topographically structured poly(dimethylsiloxane) molds via the Langmuir–Schaefer technique and then deposited in patterns onto substrates via transfer printing. BNSLs with different structural motifs are successfully patterned into various meso- and microstructures such as lines, circles, and even three-dimensional grids across large-area substrates. A combination of electron microscopy and grazing incidence small-angle X-ray scattering (GISAXS) measurements confirm the ordering of NC building blocks in meso- and micropatterned BNSLs. This technique demonstrates structural diversity in the design of hierarchical materials by assembling BNSLs from NC building blocks of different composition and size by patterning BNSLs into various size and shape superstructures of interest for a broad range of applications.

36 MATERIALS SCIENCE↗
DOE OSTI2017

COLLECTIVE EFFECTS AT INJECTION FOR THE APS-U MBA LATTICE

The Advanced Photon Source has proposed an upgrade to a multi-bend achromat (MBA) with a proposed timing mode calls for 48 bunches of 15 nC each. In this mode of operation we find that phase space mismatch from the booster can drive large wakefields that in turn may limit the current below that of the nominal collective instability threshold. We show that collective effects at injection lead to emittance growth that makes usual off-axis accumulation very challenging. On-axis injection ameliorates many of these issues, but we find that transverse feedback is still required. We explore the role of impedance, feedback, and phase-space mismatch on transverse instabilities at injection.

APS-U MBA LATTICE↗
DOE OSTI2019

Thermally Conductive Backsheets (TCB) for Reduced Operating Temperatures

The performance of photovoltaic (PV) modules is primarily influenced by the plane of array (POA) irradiance and their operating temperature. The lower the module operating temperature, the higher is its performance. Increasing a module’s operating temperature reduces its power output due to an increase in the semiconductor’s intrinsic carrier density, leading to a reduction in the open-circuit voltage and, subsequently, reducing the maximum power point voltage. Reducing the operating temperature lowers the levelized cost of energy (LCOE) via increased energy production (i.e., more kilowatt hour over the life of the asset) and increased service lifetime (years in the field). The module operating temperature is dictated by the weather parameters and the thermal properties of module construction materials. The primary weather parameters influencing the PV module temperature are: the ambient temperature (directly related), irradiance (directly related), and wind speed (inversely related). The primary thermal properties of module construction materials influencing the PV module temperature are: the optical transmissivity and thermal conductivity of superstrate, the thermal conductivity of substrate, the thermal conductivity of encapsulant and the efficiency of the encapsulated solar cells. The primary goal of this study is to reduce the operating temperature of PV modules using thermally conductive backsheet (TCB) substrates developed by the industry. The temperature of PV modules installed in a large multi-MW plant can also be influenced by their physical locations in the plants due to the influence of wind direction. A thermal mapping of PV plants has also been investigated and presented in this study. The most commonly used PV backsheet material has been polyvinyl fluoride (DuPont trade name “Tedlar”)-based backsheet, which typically has three layers: Tedlar–polyethylene terephthalate (PET)–Tedlar (TPT). The primary goal of this project is to reduce the module operating temperature below the benchmark TPT backsheet temperature using newly developed TCBs by the industry. The overall approach of this project involves six focus areas: i) select and procure one TPT and thirteen promising TCBs available in the industry; ii) construct a large number of 1-cell and 9-cell modules using benchmark TPT and selected TCBs [all other construction materials are fixed and they are: glass superstrate, EVA encapsulant, mono-Si cell and junction box]; iii) to identify best performing TCBs, monitor the long-term field operating temperatures of the constructed modules which are installed in three climatic conditions (hot-low wind [Mesa, AZ], hot-high wind [Maricopa County, AZ] and temperate [Cumberland County, NC]; iv) to identify the most durable TCB, perform extended accelerated reliability testing of modules constructed with best three TCBs and benchmark TPT; v) to predict module temperature, develop physical and empirical thermal models with and without thermal properties of all construction materials in the modules, respectively; and vi) to determine the influence of wind speed and direction on the module operating temperature in a plant, and perform thermal mapping of PV modules in two large PV plants [Maricopa County, AZ and Cumberland County, NC]. The key achievements of this project are listed below: Backsheet selection: 14 backsheets were procured after an extensive literature and industry search. Finally, based on the thermal and other selection criteria, 1 TPT and 4 thermally conductive backsheets were selected for this project. Fabrication of mini modules: 50 one-cell modules were fabricated in year 1 for thermal performance evaluation. The module design was changed to nine-cell module at start of year 2 to mimic commercial design. 20 nine-cell modules were fabricated in year 2 for thermal performance evaluation. 28 four-cell modules were fabricated in year 3 for accelerated stress-testing. Thermal conductivity of backsheets: Year 1 TCBs showed at least 8% higher thermal conductivities than TPT. Year 2 and 3 TCBs showed at least 20% higher thermal conductivities than TPT. Installation of mini PV modules at three sites: 6 one-cell modules and 8 nine-cell modules were installed at AZ-1 site [Mesa, AZ]. 12 one-cell modules and 6 nine-cell modules were installed at each of two powerplants (AZ-2 [Maricopa County, AZ] and NC sites). Nominal operating cell temperatures (NOCT) of mini PV modules: NOCT of TCBs were observed to be lower than TPT with differences as high as 2°C. Comparison of thermal performance: The median operating temperature of one-cell modules was found to be reduced by 2°C by using TCB_A modules compared to TPT modules on several days in a month for few months in a year. The median temperature improvement of 4oC was achieved at several instances on a few days, but not all days, in a year using multiple TCBs compared to TPT. The final project milestone of achieving median temperature improvement of 5oC was achieved at several instances on a few days, but not all days, in a year using TCB_A compared to TPT. Empirical thermal model (without the need of construction material properties): Empirical thermal model for one-cell module was developed based on the input data of irradiance, wind speed and ambient temperatures. The primary input data differentiator for temperature differences between TPT and TCBs appears to be the irradiance level (solar gain). Accelerated durability testing: 20 four-cell modules using 4 backsheets (1 TPT and 3 TCBs) were exposed to Damp Heat 1000 hours (8 modules), UV/Thermal cycling (50 cycles)/Humidity freeze (10 cycles) test sequence (8 modules) and UV Weathering for qualification (8 modules). All the modules with four selected backsheets passed the stress tests per the retest guidelines of IEC 61215 standard for the backsheet change. Simplified comparative LCOE analysis: Using backsheet-specific power degradation levels in the accelerated tests (for TCB_A and TPT only), efficiency, service lifetime and assuming same cost for all backsheets, the LCOE of modules using TCB_A is determined to be lower than TPT. Due to lower operating temperature of TCB_A-based modules compared to TPT-based modules, the operating efficiency and service life of TCB_A-based modules are calculated to be higher than TPT-based modules. Temperature mapping of PV power plants: A distinct temperature difference (as high as 4°C) has been observed between the modules located in various parts of a single PV plant.

14 SOLAR ENERGY↗
NASA NTRS1995

Polarimetry of the Interstellar Medium

The talk will review what is known about the composition of ices and organics in the dense and diffuse interstellar media (ISM). Mixed molecular ices make up a significant fraction of the solid materials in dense molecular clouds and it is now known that thermal and radiation processing of these ices results in the production of more complex organic species, some of which may survive transport into forming stellar systems and the diffuse ISM. Molecular species identified in interstellar ices include H2O, CH3OH, CO, CH4, CO2, and somewhat surprisingly, H2. Theoretical and laboratory studies of the processing of interstellar analog ices containing these species indicate that species like HCO, H2CO, CH3, and NH3 are readily made and should also be present. The irradiation of mixed molecular ices containing these species, when followed by warming, leads to the production of a large variety of more complex species, including ethanol (CH3CH2OH), formamide (HC(=O)NH2), acetamide (CH3C(=O)NH2), nitriles or isonitriles (R-CN or R-NC hexamethylenetetramine (HMT; C6H12N4), a number of polymeric species related to polyoxymethylene [POM,(-CH2O-)n], and ketones {R-C(=O)-R'}. Spectral studies of dust in the diffuse ISM indicate the presence of fairly complex organics, some of which may be related to the organics produced in dense molecular clouds. Spectral comparisons indicate that the diffuse ISM organics may be quite similar to meteoritic kerogens, i.e. they may consist largely of aromatic moieties interlinked by short aliphatic bridges. Interestingly, recent evidence indicates that the galactic distribution of this material closely matches that of silicates, but does not correlate directly with visual extinction. This implies that a large fraction of the visual extinction is caused by a material other than these organics and silicates and that this other material has a significantly different distribution within the galaxy.

Sandford, Scott↗
DOE OSTI2023

Titanium and chromium isotopic compositions of calcium-aluminum-rich inclusions: Implications for the sources of isotopic anomalies and the formation of distinct isotopic reservoirs in the early Solar System

As the earliest-dated solids in our Solar System, calcium-aluminum-rich inclusions (CAIs) provide a record of their formation environment near the young Sun and hold clues to the formation of planetary-scale isotopic reservoirs in the solar protoplanetary disk. Although CAIs from several CV, CK, CM, CO, and ordinary chondrites have been analyzed previously for their Ti isotopic compositions, CAIs from just three CV chondrites have been analyzed for their Cr isotopic compositions, and only a handful of CAIs have been measured for both their Ti and Cr isotopic compositions. We report mass-independent Ti and Cr isotopic anomalies in several CAIs from CV and CK chondrites; this is the first report of the Cr isotopic composition of a CAI from a CK chondrite. With this data, we aim to better constrain the compositional range of CAIs in ε 50 Ti versus ε 54 Cr space, thereby facilitating the isotopic characterization of the material inherited by the solar protoplanetary disk and the role of CAIs in the formation of distinct planetary-scale isotopic reservoirs in our early Solar System. The narrow range in isotopic anomalies in CAIs when compared to other early-formed refractory inclusions such as platy hibonite crystals (PLACs) and spinel-hibonite inclusions (SHIBs) suggests that CAIs record the mixing of these precursor materials and the averaging of their larger isotopic anomalies. The isotopic composition of CAIs is therefore likely the result of a combination of factors, including mixing of material inherited from their formation region, heterogeneous carrier phase distribution, and thermal processing in the disk. The ε 50 Ti and ε 54 Cr isotopic compositions of CAIs are not correlated, further demonstrating that these isotopic anomalies have different carrier phases. The Ti and Cr isotopic compositions of CAIs additionally show that CAIs alone cannot be responsible for the compositional difference between the non-carbonaceous chondritic (NC) and carbonaceous chondritic (CC) isotopic reservoirs but nevertheless do play a role in the formation of these large-scale isotopic reservoirs in the early Solar System.

58 GEOSCIENCES↗
DOE OSTI2015

Dimerization of the SP1 Region of HIV-1 Gag Induces a Helical Conformation and Association into Helical Bundles: Implications for Particle Assembly

HIV-1 immature particle (virus-like particle [VLP]) assembly is mediated largely by interactions between the capsid (CA) domains of Gag molecules but is facilitated by binding of the nucleocapsid (NC) domain to nucleic acid. We previously investigated the role of SP1, a “spacer” between CA and NC, in VLP assembly. We found that small changes in SP1 drastically disrupt assembly and that a peptide representing the sequence around the CA-SP1 junction is helical at high but not low concentrations. We suggested that by virtue of such a concentration-dependent change, this region could act as a molecular switch to activate HIV-1 Gag for VLP assembly. A leucine zipper domain can replace NC in Gag and still lead to the efficient assembly of VLPs. We find that SP1 mutants also disrupt assembly by these Gag-Zip proteins and have now studied a small fragment of this Gag-Zip protein, i.e., the CA-SP1 junction region fused to a leucine zipper. Dimerization of the zipper places SP1 at a high local concentration, even at low total concentrations. In this context, the CA-SP1 junction region spontaneously adopts a helical conformation, and the proteins associate into tetramers. Tetramerization requires residues from both CA and SP1. Here, the data suggest that once this region becomes helical, its propensity to self-associate could contribute to Gag-Gag interactions and thus to particle assembly. There is complete congruence between CA/SP1 sequences that promote tetramerization when fused to zippers and those that permit the proper assembly of full-length Gag; thus, equivalent interactions apparently participate in VLP assembly and in SP1-Zip tetramerization. Assembly of HIV-1 Gag into virus-like particles (VLPs) appears to require an interaction with nucleic acid, but replacement of its principal nucleic acid-binding domain with a dimerizing leucine zipper domain leads to the assembly of RNA-free VLPs. It has not been clear how dimerization triggers assembly. Results here show that the SP1 region spontaneously switches to a helical state when fused to a leucine zipper and that these helical molecules further associate into tetramers, mediated by interactions between hydrophobic faces of the helices. Thus, the correct juxtaposition of the SP1 region makes it “association competent.” Residues from both capsid and SP1 contribute to tetramerization, while mutations disrupting proper assembly in Gag also prevent tetramerization. Thus, this region is part of an associating interface within Gag, and its intermolecular interactions evidently help stabilize the immature Gag lattice. These interactions are disrupted by proteolysis of the CA-SP1 junction during virus maturation.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Localized spin-orbit polaron in magnetic Weyl semimetal Co 3 Sn 2 S 2

The kagome lattice Co 3 Sn 2 S 2 exhibits the quintessential topological phenomena of a magnetic Weyl semimetal such as the chiral anomaly and Fermi-arc surface states. Probing its magnetic properties is crucial for understanding this correlated topological state. Here, using spin-polarized scanning tunneling microscopy/spectroscopy (STM/S) and non-contact atomic force microscopy (nc-AFM) combined with first-principle calculations, we report the discovery of localized spin-orbit polarons (SOPs) with three-fold rotation symmetry nucleated around single S-vacancies in Co 3 Sn 2 S 2. The SOPs carry a magnetic moment and a large diamagnetic orbital magnetization of a possible topological origin associated relating to the diamagnetic circulating current around the S-vacancy. Appreciable magneto-elastic coupling of the SOP is detected by nc-AFM and STM. Our findings suggest that the SOPs can enhance magnetism and more robust time-reversal-symmetry-breaking topological phenomena. Controlled engineering of the SOPs may pave the way toward practical applications in functional quantum devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

A techno-economic assessment of carbon dioxide removal pathways via biochemical conversion of lignocellulose to biofuels and bioplastics

Biomass carbon removal and storage (BiCRS) is a promising pathway to mitigate climate change via large scale removal of atmospheric carbon dioxide (CO 2 ). We modeled several fermentation technologies, producing a variety of bioproducts from lignocellulosic feedstocks, to understand their levelized cost of CO 2 removal under multiple scenarios. Lifecycle greenhouse gas (GHG) emissions are accounted to provide cradle-to-grave estimates of carbon intensity (CI). We did not account for the avoided fossil CO 2 emissions from the use of biofuels in our CO 2 removal cost calculations, because avoided emissions do not contribute to CO 2 removal. The main products from the fermentation technologies we modeled include renewable diesel, ethanol, sustainable aviation fuel (SAF), and polyethylene (PE), with co-products including CO 2 , adipic acid, steam, and electricity. PE, depending on its end-of-life management, can serve as a form of biogenic carbon storage. PE has the potential to remove 1.2–1.5 tCO 2 per dry t-biomass, whereas biofuels have the potential to remove 0.3–0.9 tCO 2 per dry t-biomass, indicating that PE production is a more efficient method of carbon removal. We quantify costs of CO 2 removal to be $\$$60 – $\$$675 per metric tCO 2 removed across the various fermentation pathways. Under the scenarios analyzed, bioplastic production from lignocellulosic biomass is a more cost-effective route to CO 2 removal than biofuel production, with costs of CO 2 removal via bioplastics being 50–90 % lower than that of biofuels. Future research should explore the potential benefits and drawbacks of expanding bioplastic production for large-scale CO 2 removal.

09 BIOMASS FUELS↗