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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 OSTI2022

The Optical Two- and Three-dimensional Fundamental Plane Correlations for Nearly 180 Gamma-Ray Burst Afterglows with Swift/UVOT, RATIR, and the Subaru Telescope

Gamma-ray bursts (GRBs) are fascinating events due to their panchromatic nature. We study optical plateaus in GRB afterglows via an extended search into archival data. We comprehensively analyze all published GRBs with known redshifts and optical plateaus observed by many ground-based telescopes (e.g., Subaru Telescope, RATIR) around the world and several space-based observatories such as the Neil Gehrels Swift Observatory. We fit 500 optical light curves, showing the existence of the plateau in 179 cases. This sample is 75% larger than the previous one, and it is the largest compilation so far of optical plateaus. We discover the 3D fundamental plane relation at optical wavelengths using this sample. This correlation is between the rest-frame time at the end of the plateau emission, ${T}_{\mathrm{opt}}^{* }$, its optical luminosity, L opt , and the peak in the optical prompt emission, L peak,opt , thus resembling the three-dimensional (3D) X-ray fundamental plane (the so-called 3D Dainotti relation). We correct our sample for redshift evolution and selection effects, discovering that this correlation is indeed intrinsic to GRB physics. We investigate the rest-frame end-time distributions in X-rays and optical (${T}_{\mathrm{opt}}^{* }$, ${T}_{{\rm{X}}}^{* }$), and conclude that the plateau is achromatic only when selection biases are not considered. We also investigate if the 3D optical correlation may be a new discriminant between optical GRB classes and find that there is no significant separation between the classes compared to the Gold sample plane after correcting for evolution.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Numerical Modeling of the Effects of Coating Plates on Terminal Ballistic Performance

This report deals with the development and evaluation of a numerical model to examine applied coating to a metal substrate subjected to a ballistic impact. The numerical model will be used to examine the benefit of the coating in resisting penetration due to the impact. For a detailed examination the Retch-Ipson curve is used as a metric. The numerical data is plotted and then fit to the Retch-Ipson curve and error calculations are used to compare the difference between the numerical output and the experimental data. This initial study is an examination of a few shortcomings of the standard material models used, and demonstrate the future work that is needed to understand the ballistic behavior of materials.

36 MATERIALS SCIENCE↗
DOE OSTI2023

VarIabiLity seLection of AstrophysIcal sources iN PTF (VILLAIN): I. Structure function fits to 71 million objects

Light-curve variability is well-suited to characterizing objects in surveys with high cadence and a long baseline. This is especially relevant in view of the large datasets to be produced by the Vera C. Rubin Observatory Legacy Survey of Space and Time (LSST). We aim to determine variability parameters for objects in the Palomar Transient Factory (PTF) and explore differences between quasars (QSOs), stars, and galaxies. We relate variability and colour information in preparation for future surveys. We fit joint likelihoods to structure functions (SFs) of 71 million PTF light curves with a Markov chain Monte Carlo method. For each object, we assume a power-law SF and extract two parameters: the amplitude on timescales of one year, A, and a power-law index, γ. With these parameters and colours in the optical (Pan-STARRS1) and mid-infrared (WISE), we identify regions of parameter space dominated by different types of spectroscopically confirmed objects from SDSS. Candidate QSOs, stars, and galaxies are selected to show their parameter distributions. QSOs show high-amplitude variations in the R band, and the highest γ values. Galaxies have a broader range of amplitudes and their variability shows relatively little dependency on timescale. With variability and colours, we achieve a photometric selection purity of 99.3% for QSOs. Even though hard cuts in monochromatic variability alone are not as effective as seven-band magnitude cuts, variability is useful in characterizing object subclasses. Through variability, we also find QSOs that were erroneously classified as stars in the SDSS. We discuss perspectives and computational solutions in view of the upcoming LSST.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Surface structure of Sn doped β-Ga 2 O 3 (010) p(1×1) studied by quantitative low energy electron diffraction

Here, we have studied the surface structure of a single crystal β-Ga 2 O 3 (010) using quantitative Low Energy Electron Diffraction (LEED) and X-ray photoelectron spectroscopy (XPS). The XPS measurements show spectra typical of stoichiometric Ga 2 O 3 with a clean surface. LEED consistently shows a p(1x1) pattern, free of surface reconstruction. Quantitative LEED I(V) curves are acquired for 41 distinct diffraction spots. The experimental I(V) curves are compared to simulations over the first five layers. The best fits to the experimental LEED I(V) curves acquired at all diffraction spots are then used to calculate the interplanar relaxation and atomic rumpling. Significant atomic rumpling and interplanar relaxation are found over the first 5 atomic layers. As a result of rumpling a polarization of ~ 2 μC/cm 2 develops in the topmost surface layer. The structural results are in good agreement with previous density functional theory calculations and experimental X-ray photoelectron diffraction.

36 MATERIALS SCIENCE↗
DOE OSTI2023

A matched-filter approach to radio variability and transients: searching for orphan afterglows in the VAST Pilot Survey

Radio transient searches using traditional variability metrics struggle to recover sources whose evolution time-scale is significantly longer than the survey cadence. Motivated by the recent observations of slowly evolving radio afterglows at gigahertz frequency, we present the results of a search for radio variables and transients using an alternative matched-filter approach. We designed our matched-filter to recover sources with radio light curves that have a high-significance fit to power-law and smoothly broken power-law functions; light curves following these functions are characteristic of synchrotron transients, including ‘orphan’ gamma-ray burst afterglows, which were the primary targets of our search. Applying this matched-filter approach to data from Variables and Slow Transients Pilot Survey conducted using the Australian SKA Pathfinder, we produced five candidates in our search. Subsequent Australia Telescope Compact Array observations and analysis revealed that: one is likely a synchrotron transient; one is likely a flaring active galactic nucleus, exhibiting a flat-to-steep spectral transition over 4 months; one is associated with a starburst galaxy, with the radio emission originating from either star formation or an underlying slowly evolving transient; and the remaining two are likely extrinsic variables caused by interstellar scintillation. The synchrotron transient, VAST J175036.1–181454, has a multifrequency light curve, peak spectral luminosity, and volumetric rate that is consistent with both an off-axis afterglow and an off-axis tidal disruption event; interpreted as an off-axis afterglow would imply an average inverse beaming factor $\langle f^{-1}_{\text{b}} \rangle = 860^{+1980}_{-710}$, or equivalently, an average jet opening angle of $\langle \theta _{\textrm {j}} \rangle = 3^{+4}_{-1}\,$ deg.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Influence of living grass Roots and endophytic fungal hyphae on soil hydraulic properties

Soil hydraulic properties are often estimated based on laboratory data or pedotransfer functions dependent on soil physical properties, which often do not consider potential impacts of soil roots or fungal hyphae. Here, we first review current knowledge of how these soil biotic components affect hydraulic properties, then we conducted laboratory experiments to specifically test if the presence of roots and mycorrhizal fungi had a significant effect on the hydraulic properties of two soils with contrasting textures: Flint sand and Hamblen silt loam. Soil cores were seeded with (Panicum virgatum) and grown in a greenhouse over three separate growth periods. The endophytic fungus Serendipita indica was injected as liquid inoculant into designated mycorrhizal cores. Saturated hydraulic conductivity (K sat ) measurements were made with a constant head permeameter, and soil water retention curves were obtained by the evaporation method, supplemented at the dry end for Hamblen silt loam with water activity meter data. Retention curve parameters were obtained by fitting the van Genuchten equation to the resulting measurements. Mean root volume ratios were higher in the mycorrhizal inoculated treatment than in the uninoculated treatment for both soils. For Flint sand, analysis of variance revealed that K sat was reduced by the presence of roots as compared to bare soil. This was likely due to roots clogging soil pores. Results also indicated the presence of roots changed the shape of the water retention curve for Flint sand by increasing water content at saturation and by reducing the slope of the curve. These changes suggested roots created additional porosity and broadened the pore-size distribution. The presence of mycorrhizal fungi accentuated the root effects. The influence of roots and mycorrhizal fungi on hydraulic properties was less obvious for the Hamblen silt loam, as none of the treatments differed from each other at p < 0.05. The results highlight the necessity to consider the impact of root and fungal structures on models of soil hydraulic properties.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Fantômas unconfined: global QCD fits with Bézier parameterizations

Fantômas is a C++ toolkit for exploring the parametrization dependence of parton distribution functions (PDFs) and other correlator functions in quantum chromodynamics (QCD). Fantômas facilitates the generation of adaptable polynomial parametrizations for PDFs, called metamorphs, to find best-fit PDF solutions and quantify the epistemic uncertainty associated with the parametrizations during their fitting. The method employs Bézier curves as universal approximators for a variety of PDF shapes. Integrated into the xFitter framework for the global QCD analysis, Fantômas provides a foundation for general models of PDFs, while reducing the computational time compared to the approaches utilizing traditional polynomial parametrizations as well as providing an interpretable alternative to neural-network-based models. This paper outlines the structure and practical usage of the Fantômas toolkit, including its inputs, outputs, and implementation within xFitter. It also provides a practical example of using Fantômas for uncertainty quantification as well as the combination of PDF fits into a single ensemble.

Bézier curves↗
DOE OSTI2022

SCAT uncovers ATLAS’s first tidal disruption event ATLAS18mlw: a faint and fast TDE in a quiescent Balmer strong Galaxy

ABSTRACT We present the discovery that ATLAS18mlw was a tidal disruption event (TDE) in the galaxy WISEA J073544.83+663717.3, at a luminosity distance of 334 Mpc. Initially discovered by the Asteroid Terrestrial Impact Last Alert System (ATLAS) on 2018 March 17.3, the TDE nature of the transient was uncovered only recently with the re-reduction of a SuperNova Integral Field Spectrograph (SNIFS) spectrum. This spectrum, taken by the Spectral Classification of Astronomical Transients (SCAT) survey, shows a strong blue continuum and a broad H α emission line. Here, we present roughly 6 yr of optical survey photometry beginning before the TDE to constrain active galactic nucleus activity, optical spectroscopy of the transient, and a detailed study of the host galaxy properties through analysis of archival photometry and a host spectrum. ATLAS18mlw was detected in ground-based light curves for roughly 2 months. From a blackbody fit to the transient spectrum and bolometric correction of the optical light curve, we conclude that ATLAS18mlw is best explained by a low-luminosity TDE with a peak luminosity of log(L [erg s−1]) = 43.5 ± 0.2. The TDE classification is further supported by the quiescent Balmer strong nature of the host galaxy. We also calculated the TDE decline rate from the bolometric light curve and find ΔL40 = −0.7 ± 0.2 dex, making ATLAS18mlw a member of the growing class of ‘faint and fast’ TDEs with low peak luminosities and fast decline rates.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Results of an interlaboratory study on the working curve in vat photopolymerization

The working curve informs resin properties and print parameters for stereolithography, digital light processing, and other photopolymer additive manufacturing (PAM) technologies. First demonstrated in 1992, the working curve measurement of cure depth vs radiant exposure of light is now a foundational measurement in the field of PAM. Despite its widespread use in industry and academia, there is no formal method or procedure for performing the working curve measurement, raising questions about the utility of reported working curve parameters. Here, an interlaboratory study (ILS) is described in which 24 individual laboratories performed a working curve measurement on an aliquot from a single batch of PAM resin. The ILS reveals that there is enormous scatter in the working curve data and the key fit parameters derived from it. Further, the measured depth of light penetration D p varied by as much as 7x between participants, while the critical radiant exposure for gelation E c varied by as much as 70x. This significant scatter is attributed to a lack of common procedure, variation in light engines, epistemic uncertainties from the Jacobs equation, and the use of measurement tools with insufficient precision. The ILS findings highlight an urgent need for procedural standardization and better hardware characterization in this rapidly growing field.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Surface Analysis Insight Note: Observations relating to photoemission peak shapes, oxidation state, and chemistry of titanium oxide films

It is common practice to describe the coordination of metal atoms in a binding configuration with their nearest neighbors in terms of oxidation state, a measure by which the number of electrons redistributed between atoms forming chemical bonds. In XPS terms, change to an oxidation state is commonly inferred by correlating photoemission signal with binding energy. The assumption, when classifying photoemission signals into distinct spectral shapes, is that a distribution of intensities shifted to lower binding energy is evidence of a reduction in oxidation state. In this Insight note, we raise the prospect that changes in photoemission peak shape may occur without obvious changes, determined by XPS in stoichiometry for a material. It is well known that TiO 2 measured by XPS yields reproducible Ti 2p photoemission peaks. However, on exposing TiO 2 to ion beams, Ti 2p photoemission evolves to complex distributions in intensity, which are particularly difficult to analyze by traditional fitting of bell-shaped curves to these data. For these reasons, in this Insight note, a thin film of TiO 2 deposited on a silicon substrate is chosen for analysis by XPS and linear algebraic techniques. Alterations in spectral shapes created from modified TiO 2 , which might be interpreted as the change in oxidation state, are assessed in terms of relative proportions of titanium to oxygen. It is found through detailed analysis of spectra that quantification by XPS, using procedures routinely used in practice, is not in accord with the typical interpretations of photoemission shapes. The data processing methods used and results presented in this work are of particular relevance to elucidating fundamental phenomena governing the surface evolution of materials-enabled energy processes where cyclic/non-steady usage changes the nature of bonding, especially in the presence of contaminants.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

The evolution of coal porosity during pyrolysis

Gasification of coal, municipal waste, or other organic materials is a potential hydrogen source that entails complex thermal decomposition and transport processes. This study provides a multiscale analysis of these processes for sub-bituminous (Usibelli, Healy, Alaska) and lignite (Center, North Dakota) coals and provides data useful for process design. The chemistry, mineralogy, and pore structures of pyrolyzed coal and their evolution with thermal decomposition are discussed. Samples pyrolyzed at 200–1000 °C were analyzed by small-angle neutron scattering; ultra-small, small-, and wide-angle X-ray scattering; and other complementary techniques. Scanning electron microscopy showed new pores in the high-temperature-pyrolyzed material. Upon heating, the coals became progressively denser, and the concentration of hydrogen decreased. Changes in pore volume fell into three temperature ranges: an initial, low-temperature range that, for the Usibelli coal, involved an increase in overall porosity; a mid-temperature range associated with pore volume loss; and a high-temperature range associated with significant porosity increase and char formation. This transformation was paralleled by changes in fractal dimension and correlation length. The higher the pyrolysis temperature the greater the small-pore-volume fraction and overall surface area became. Pyrolysis increased the lateral size of coal crystallites, decreased the amorphous fraction, and increased the aromatics fraction and overall coal rank. Comparisons of neutron and X-ray scattering data and subsequent water uptake studies showed that pre-dried coals can re-hydrate relatively rapidly upon exposure to air, which can significantly affect the porosity calculated from small-angle-scattering data. Fits to the cumulative porosity curves provide a method for modeling the physical and chemical transformation of hydrogen-containing feedstock during gasification.

Anovitz, Lawrence {Larry} [ORNL] (ORCID:0000000226↗
DOE OSTI2020

An outflow powers the optical rise of the nearby, fast-evolving tidal disruption event AT2019qiz

ABSTRACT At 66 Mpc, AT2019qiz is the closest optical tidal disruption event (TDE) to date, with a luminosity intermediate between the bulk of the population and the faint-and-fast event iPTF16fnl. Its proximity allowed a very early detection and triggering of multiwavelength and spectroscopic follow-up well before maximum light. The velocity dispersion of the host galaxy and fits to the TDE light curve indicate a black hole mass ≈106 M⊙, disrupting a star of ≈1 M⊙. By analysing our comprehensive UV, optical, and X-ray data, we show that the early optical emission is dominated by an outflow, with a luminosity evolution L ∝ t2, consistent with a photosphere expanding at constant velocity (≳2000 km s−1), and a line-forming region producing initially blueshifted H and He ii profiles with v = 3000–10 000 km s−1. The fastest optical ejecta approach the velocity inferred from radio detections (modelled in a forthcoming companion paper from K. D. Alexander et al.), thus the same outflow may be responsible for both the fast optical rise and the radio emission – the first time this connection has been observed in a TDE. The light-curve rise begins 29 ± 2 d before maximum light, peaking when the photosphere reaches the radius where optical photons can escape. The photosphere then undergoes a sudden transition, first cooling at constant radius then contracting at constant temperature. At the same time, the blueshifts disappear from the spectrum and Bowen fluorescence lines (N iii) become prominent, implying a source of far-UV photons, while the X-ray light curve peaks at ≈1041 erg s−1. Assuming that these X-rays are from prompt accretion, the size and mass of the outflow are consistent with the reprocessing layer needed to explain the large optical to X-ray ratio in this and other optical TDEs, possibly favouring accretion-powered over collision-powered outflow models.

Nicholl, M.↗
DOE OSTI2022

Fundamental differences in the properties of red and blue quasars: measuring the reddening and accretion properties with X-shooter

ABSTRACT We have recently found fundamental differences in the radio properties of red quasars when compared to typical blue quasars. In this paper, we use data from the X-shooter spectrograph on the Very Large Telescope, providing spectral coverage from ∼3000–$25\,000\,$ Å, of a sample of 40 red and blue luminous quasars at 1.45 < z < 1.65 to explore the connections between the radio, emission-line, and accretion-disc properties. We fit various dust-extinction curves to the data and find that dust reddening can fully explain the observed colours for the majority of the red quasars in our sample, with moderate extinctions ranging from AV ∼ 0.06–0.7 mag. We confront our spectra with a simple thin accretion-disc model and find this can describe the continua of both the blue and red quasars, once corrected for dust extinction; we also find no significant differences in the accretion properties. We detect ionized outflows in a number of red and blue quasars, but do not find any significant evidence that they are more prevalent in the red quasar population. Overall our findings imply that the radio emission is more closely connected to circumnuclear/ISM opacity rather than accretion disc or outflow differences.

Fawcett, V. A. (ORCID:000000031251532X)↗
DOE OSTI2023

Why the observed spin evolution of older-than-solar-like stars might not require a dynamo mode change

ABSTRACT The spin evolution of main-sequence stars has long been of interest for basic stellar evolution, stellar ageing, stellar activity, and consequent influence on companion planets. Observations of older-than-solar late-type main-sequence stars have been interpreted to imply that a change from a dipole-dominated magnetic field to one with more prominent higher multipoles might be necessary to account for the data. The spin-down models that lead to this inference are essentially tuned to the Sun. Here, we take a different approach that considers individual stars as fixed points rather than just the Sun. We use a time-dependent theoretical model to solve for the spin evolution of low-mass main-sequence stars that includes a Parker-type wind and a time-evolving magnetic field coupled to the spin. Because the wind is exponentially sensitive to the stellar mass over radius and the coronal base temperature, the use of each observed star as a separate fixed point is more appropriate and, in turn, produces a set of solution curves that produces a solution envelope rather than a simple line. This envelope of solution curves, unlike a single line fit, is consistent with the data and does not unambiguously require a modal transition in the magnetic field to explain it.

Astronomy & Astrophysics↗
DOE OSTI2025

Calibration of RAFM Micromechanical Model for Creep Using Bayesian Optimization for Functional Output

A Bayesian optimization procedure is presented for calibrating a multimechanism micromechanical model for creep to experimental data of F82H steel. Reduced activation ferritic martensitic (RAFM) steels based on Fe(8–9)%Cr are the most promising candidates for some fusion reactor structures. Although there are indications that RAFM steel could be viable for fusion applications at temperatures up to 600°C, the maximum operating temperature will be determined by the creep properties of the structural material and the breeder material compatibility with the structural material. Due to the relative paucity of available creep data on F82H steel compared to other alloys such as Grade 91 steel, micromechanical models are sought for simulating creep based on relevant deformation mechanisms. As a point of departure, this work recalibrates a model form that was previously proposed for Grade 91 steel to match creep curves for F82H steel. Due to the large number of parameters (9) and cost of the nonlinear simulations, an automated approach for tuning the parameters is pursued using a recently developed Bayesian optimization for functional output (BOFO) framework (Huang et al., 2021, “Bayesian optimization of functional output in inverse problems,” Optim. Eng., 22, pp. 2553–2574). Incorporating extensions such as batch sequencing and weighted experimental load cases into BOFO, a reasonably small error between experimental and simulated creep curves at two load levels is achieved in a reasonable number of iterations. In conclusion, validation with an additional creep curve provides confidence in the fitted parameters obtained from the automated calibration procedure to describe the creep behavior of F82H steel.

42 ENGINEERING↗
DOE OSTI2021

Stochastic Approaches for Calculating and Aggregating Detection Probabilities for Nuclear Material Diversion

The authors built and tested a stochastic simulation to estimate achieved detection probabilities (DPs) on a stratum basis, over a tailorable range of diverted amounts from 0 to 2 significant quantities (SQ), using typical International Atomic Energy Agency (IAEA) inspection data: i.e., SQ in stratum, number of items, number of gross/partial/bias defect measurements conducted, and realistic relative standard deviation (RSD) values for typical IAEA verification measurements. For bulk strata, the model calculates achieved DP at 0.01 SQ diversion increments; for item strata, the model calculates DP using the smallest realistic diversion increment (e.g., a plate, pin, or coupon). After successfully benchmarking against IAEA deterministic models, the simulation was used to test the sensitivity of DP to certain standard assumptions and selected input parameters. First, the equal defect assumption was tested; the results suggest significant complexity in the effectiveness of partial defect measurements. Next, the authors explored the sensitivity of DP to the assumed RSD of attribute tests. Then, the authors compared non-normal models for instrument performance (e.g., logistic, step, or arbitrary functions) to the typical results from a normal distribution (characterized by RSD). This last comparison was supplemented with experimentally derived performance data for an HM-5 gamma spectrometer. The HM-5 was used to make enrichment measurements on both LEU and HEU MTR fuel elements as plates were removed, and the results fit with logistic and step curves and applied in the simulation. These stochastic DP results were compared to DP estimates from a deterministic model assuming a normal curve and typical RSD, yielding insights that could improve effectiveness in the field. These early results illustrate the potential of stochastic models to better understand achieved DP and to improve safeguards effectiveness.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2025

Modeling of Stress and Temperature Effects on Creep of Reduced Activation Ferritic-Martensitic Steel Alloy F82H (Tertiary Creep Modeling of RAFM Steel)

A Bayesian optimization procedure is presented for calibrating a multi-mechanism micromechanical model for creep to experimental data of F82H steel. Reduced activation ferritic martensitic (RAFM) steels based on are the most promising candidates for some fusion reactor structures. Although there are indications that RAFM steel could be viable for fusion applications at temperatures up to 600 °C, the maximum operating temperature will be determined by the creep properties of the structural material and the breeder material compatibility with the structural material. Due to the relative paucity of available creep data on F82H steel compared to other alloys such as Grade 91 steel, micromechanical models are sought for simulating creep based on relevant deformation mechanisms. As a point of departure, this work recalibrates a model form that was previously proposed for Grade 91 steel to match creep curves for F82H steel. Due to the large number of parameters (9) and cost of the nonlinear simulations, an automated approach for tuning the parameters is pursued using a recently developed Bayesian optimization for functional output (BOFO) framework [1]. Incorporating extensions such as batch sequencing and weighted experimental load cases into BOFO, a reasonably small error between experimental and simulated creep curves at two load levels is achieved in a reasonable number of iterations. Validation with an additional creep curve provides confidence in the fitted parameters obtained from the automated calibration procedure to describe the creep behavior of F82H steel at 600 °C. The model is further extended using a temperature dependent scaling law approach to simulate creep response between 550 °C and 650 °C. The efficacy of this extension is compared with the previously used scaling law approach for Grade 91 steel.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Direct Air Capture Using Trapped Small Amines in Hierarchical Nanoporous Capsules on Porous Electrospun Fibers (Final Technical Report)

This report summarizes the carbon capture research and development conducted by The State University of New York at Buffalo (UB) and GTI Energy (GTI) for award “DE-FE0031969: Direct Air Capture Using Trapped Small Amines in Hierarchical Nanoporous Capsules on Porous Electrospun Fibers” sponsored by the U.S. Department of Energy (DOE). The objective of this project is to develop an innovative sorbent structure of trapped small amines in HNC embedded in PEF for DAC. This involves tailoring both sorbent and PEF materials to achieve a compact system for DAC with high capacity for CO 2 at concentrations typically available in air and at near ambient conditions. An innovative sorbent structure of trapped small amines in hierarchical nanoporous capsules (HNC) embedded in porous electrospun fibers (PEF) was developed for direct air capture (DAC). This involves tailoring both sorbent and PEF materials to achieve a compact system for DAC with high capacity for CO 2 at concentrations typically available in air and at near ambient conditions. An interfacial polymerization process was developed, which utilized loaded amines inside mesoporous silica and trimesoyl chloride (TMC) dissolved in organic solvents as the precursors, to generate a polyamide (PA) coating layer on mesoporous silica and thus trap amines. Reaction conditions, including TMC concentration, organic solvents, reaction time, etc., for interfacial polymerization were optimized to effectively trap loaded amines, and cyclic heating-cooling operation was conducted to evaluate the coating quality. Larger pore volume mesoporous silica was also synthesized to increase amine loading and thus increase CO 2 capacity. The optimized sorbent material exhibited CO 2 capacity as high as 4.88 mmol/g under humid DAC conditions and negligible loss (<1%) during 10 cyclic heating-cooling operations. The optimized PA-coated sorbent also showed fast adsorption and desorption kinetics, with <20% t1/2 increase compared to uncoated sorbent. PEF fabrication conditions, including organic solvents for dissolving core and shell polymers, voltage, distance from the nozzle to the collection panel, etc. were adjusted to better incorporate HNC. After incorporating the optimized sorbent material into PEF, the structured sorbent had a CO 2 capacity of approximately 4.0 mmol/g under humid DAC conditions, with capacity loss of 0.17% per cycle and t1/2 increase less than 10%. A techno-economic analysis (TEA) for the process design for a DAC system based on our developed sorbent structure of trapped small amines in HNC embedded in PEF was conducted. The process design included process description and major equipment sizing and energy and mass balances in addition to scale-up research results and estimated capture cost. Aspen Adsorption Simulator was used to fit the experimentally measured breakthrough curves and extract equilibrium and kinetic data of the optimized sorbent. Our results indicated that for a DAC plant with CO 2 productivity of 3,000 tonne/year, the levelized cost of CO 2 capture was $\$$612/tonne, with the largest contribution of 44.33% from the fixed operation cost. Increasing CO 2 productivity, while maintaining similar fixed operation cost, is expected to significantly reduce the CO 2 capture cost. A sensitivity study was also conducted to understand the influence of total plant cost, sorbent cost, CO 2 concentration in the feed, sorbent mat lifetime, sorbent regeneration electricity, and adsorption blower pressure drop on the levelized cost of CO 2 capture, revealing a capture cost range of $\$$520-870/tonne.

36 MATERIALS SCIENCE↗