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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Quantitative uranium elemental reconstruction using spectral x-ray radiography

X-ray radiography offers the ability to noninvasively inspect the internal structure and material composition of objects. Dual-energy radiography allows material discrimination but is limited in quantitative material measurements due to the broad nature of the interrogating x-ray spectrum. Spectral radiography detectors provide an observation of not just the number of x rays that are transmitted through a sample but also the spectrum. Here, experimental validations of a method to use spectral x-ray radiography to accurately quantify the uranium mass in a powder are presented. An accurate system response model was developed, which includes a model of the incident x-ray source spectrum and a pixel-wise detector response that describes how the transmitted x rays were observed. Further, a calibration to account for the effect of partial x-ray attenuation was developed. As a result, the method is demonstrated to be capable of estimating the uranium mass in a variety of uranium oxide powders to a bias of –0.01±0.62%.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2020

The Ubiquity of AGN Winds in Seyfert 1 Galaxies at Low Redshift

The optical spectra of 3896 Seyfert 1 (Sy1) galaxies detected with WISE at z < 0.4 were analyzed for evidence of outflows. In 37% of the Sy1s in our sample, the outflows appear as broad, blue-shifted, spectrally resolved components of the [O iii]λ5007 Å emission line, with a mean maximum velocity V {sub max} ∼ 1014 km s{sup −1} that is consistent with AGN winds. For each Sy1, we deduced the black hole (BH) mass, bolometric luminosity, Eddington ratio, and power-law index of the continuum, which we compared with the star formation rate (SFR) and host morphology. Having separated our sample in two spectroscopic subgroups—Sy1s with only broad Balmer lines (Sy1B) and those with both narrow and broad (Sy1N) lines—and distinguishing those that show as outflow (Sy1Bw and Sy1Nw), we report the following differences: (1) the BH mass is systematically higher and the power-law steeper in the Sy1B–Sy1Bw than in the Sy1N–Sy1Nw; (2) V {sub max} is higher in the Sy1Bw than in the Sy1Nw, correlated in both groups with the BH mass and bolometric luminosity; (3) the Eddington ratio and SFR are higher in the Sy1 with outflows; and (4) the specific star formation rates (sSFRs) of the Sy1s are normal for their morphology and mass, typical of early-type spiral galaxies in the green valley, far from the quenched regime. From these results, we conclude that AGN winds in Sy1s are triggered by higher accretion rates and probably radiatively launched, and there is no clear evidence of an effect on the star formation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Determining g A / g V with High-Resolution Spectral Measurements Using a LiInSe 2 Bolometer

Neutrinoless double beta decay (0νββ) processes sample a wide range of intermediate forbidden nuclear transitions, which may be impacted by quenching of the axial vector coupling constant (g A /g V ), the uncertainty of which plays a pivotal role in determining the sensitivity reach of 0νββ experiments. Here we present measurements performed on a high-resolution LiInSe 2 bolometer in a “source = detector” configuration to measure the spectral shape of the fourfold forbidden β decay of 115 In . The value of g A /g V is determined by comparing the spectral shape of theoretical predictions to the experimental β spectrum taking into account various simulated background components as well as a variety of detector effects. We find evidence of quenching of g A /g V at >5 σ with a model-dependent quenching factor of 0.655 ± 0.002 as compared to the free-nucleon value for the interacting shell model. We also measured the 115 In half-life to be [5.18 ± 0.06(stat) $^{+0.005}_{- 0.015}$(sys)] x 10 14 yr within the interacting shell model framework. This Letter demonstrates the power of the bolometeric technique to perform precision nuclear physics single-β decay measurements, which along with improved nuclear modeling can help reduce the uncertainties in the calculation of several decay nuclear matrix elements including those used in 0νββ sensitivity calculations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Characterization of a 1D-imaging high-energy x-ray backlighter driven by the National Ignition Facility Advanced Radiographic Capability laser

Plastic deformation of samples compressed to Mbar pressures at high strain rates at the National Ignition Facility (NIF) forms the basis of ongoing material strength experiments in conditions relevant to meteor impacts, geophysics, armor development, and inertial confinement fusion. Hard x-ray radiography is the primary means of measuring the evolution of these samples, typically employing a slit-collimated high-Z microdot driven by the NIF laser to generate >40 keV x rays [E. Gumbrell et al., Rev. Sci. Instrum. 89, 10G118 (2018) and C. M. Huntington et al., Rev. Sci. Instrum. 89, 10G121 (2018)]. Alternatively, a dysprosium “micro-flag” target driven by the Advanced Radiographic Capability laser (~2 kJ, 10 ps) can deliver significantly higher spatiotemporal resolution [M. P. Hill et al., Rev. Sci. Instrum. 92, 033535 (2021)], especially in high-opacity samples. Here, initial experiments revealed problematic brightness and spectral gradients from this source, but by radiographing a set of diamond-turned, 105 µm-thick Pb test objects and supported by simulations using the 3D Monte Carlo code GEANT4, these geometry-dependent gradients across the field of view are quantified and mitigation strategies are assessed. In addition to significantly enhancing the modulation transfer function compared to the existing system, image stacking from multiple layers of image plate is shown to almost double the signal to noise ratio that will reduce uncertainties in future dynamic strength experiments.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Hiding in plain sight: The prevalence and impact of trions and Fermi polarons in transient absorption spectroscopy experiments of 2D semiconductors

Transient absorption (TA) spectroscopy is one of the most popular experimental methods to measure the excited state lifetimes and charge carrier recombination mechanisms in two dimensional (2D) semiconductors. This fundamental information is essential for designing and optimizing the next generation of ultrathin and lightweight 2D semiconductor-based optoelectronic devices. However, the interpretation of TA spectroscopy data varies across the community. The community lacks a unifying physical explanation for how and why experimental variables such as incident light intensity, sample-substrate interactions, and/or applied bias affect TA spectral data. This Perspective (1) compares the physical chemistry TA literature to nanomaterial physics literature from a historical perspective, (2) reviews multiple physical explanations that the TA community developed to explain spectral features and experimental trends, (3) provides a unifying explanation for how and why trions—and, more generally, Fermi polarons—contribute to TA spectra, and (4) quantifies the extent to which various physical interpretations and data analysis procedures yield different timescales and mechanisms for the same set of experimental results. We highlight the importance of considering trions/Fermi polarons in TA measurements and their implications for advancing our understanding of 2D material properties.

2D materials↗
DOE OSTI2026

Quantum Filtering and Analysis of Multiplicities in Eigenvalue Spectra

Fine-grained spectral properties of quantum Hamiltonians, including both eigenvalues and their multiplicities, provide useful information for characterizing many-body quantum systems as well as for understanding phenomena such as topological order. Extracting such information with small additive error is #BQP-complete in the worst case. In this work, we introduce QFAMES (quantum filtering and analysis of multiplicities in eigenvalue spectra), a quantum algorithm that efficiently identifies clusters of closely spaced dominant eigenvalues and determines their multiplicities under physically motivated assumptions, which allows us to bypass worst-case complexity barriers. QFAMES also enables the estimation of observable expectation values within targeted energy clusters, providing a powerful tool for studying quantum phase transitions and other physical properties. We validate the effectiveness of QFAMES through numerical demonstrations, including its applications to characterizing quantum phases in the transverse-field Ising model and estimating the ground-state degeneracy of a topologically ordered phase in the two-dimensional toric code model. We also generalize QFAMES to the setting of mixed initial states. Our approach offers rigorous theoretical guarantees and significant advantages over existing subspace-based quantum spectral analysis methods, particularly in terms of the sample complexity and the ability to resolve degeneracies.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Optical conductivity and vibrational spectra of the narrow-gap semiconductor FeGa 3

Intermetallic narrow-gap semiconductors have been intensively explored due to their large thermoelectric power at low temperatures and a possible role of strong electronic correlations in their unusual thermodynamic and transport properties. Here we study the optical spectra and vibrational properties of FeGa 3 . The optical conductivity indicates that FeGa 3 has a direct band gap of ≈ 0.7 eV, consistent with density functional theory (DFT) calculations. Most importantly, we find a substantial spectral weight also below 0.4 eV, which is the energy of the indirect (charge) gap found in resistivity measurements and ab initio calculations. We find that the spectral weight below the gap decreases with increasing temperature, which indicates that it originates from the impurity states and not from the electronic correlations. Interestingly, we did not find any signatures of the impurity states in vibrational spectra. The infrared and Raman vibrational lines are narrow and weakly temperature dependent. The vibrational frequencies are in excellent agreement with our DFT calculations, implying a modest role of electronic correlations. Narrow Mössbauer spectral lines also indicate high crystallinity of the sample.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

AWARE: The Atmospheric Radiation Measurement (ARM) West Antarctic Radiation Experiment

The U.S. Department of Energy Atmospheric Radiation Measurement (ARM) West Antarctic Radiation Experiment (AWARE) performed comprehensive meteorological and aerosol measurements and ground-based atmospheric remote sensing at two Antarctic stations using the most advanced instrumentation available. A suite of cloud research radars, lidars, spectral and broadband radiometers, aerosol chemical and microphysical sampling equipment, and meteorological instrumentation was deployed at McMurdo Station on Ross Island from December 2015 through December 2016. A smaller suite of radiometers and meteorological equipment, including radiosondes optimized for surface energy budget measurement, was deployed on the West Antarctic Ice Sheet between 4 December 2015 and 17 January 2016. AWARE provided Antarctic atmospheric data comparable to several well-instrumented high Arctic sites that have operated for many years and that reveal numerous contrasts with the Arctic in aerosol and cloud microphysical properties. These include persistent differences in liquid cloud occurrence, cloud height, and cloud thickness. Antarctic aerosol properties are also quite different from the Arctic in both seasonal cycle and composition, due to the continent’s isolation from lower latitudes by Southern Ocean storm tracks. Antarctic aerosol number and mass concentrations are not only non-negligible but perhaps play a more important role than previously recognized because of the higher sensitivities of clouds at the very low concentrations caused by the large-scale dynamical isolation. Antarctic aerosol chemical composition, particularly organic components, has implications for local cloud microphysics. The AWARE dataset, fully available online in the ARM Program data archive, offers numerous case studies for unique and rigorous evaluation of mixed-phase cloud parameterization in climate models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Atmospheric Temperature Inversions and He ι 5876 Core Profile Structure in White Dwarfs

Here we report distinctive core profiles in the strongest optical helium line, He ι λ5876, from high-resolution high-sensitivity observations of spectral type DB white dwarfs. By analyzing a sample of 40 stars from Keck/HIRES and VLT/UVES, we find the core appearance to be related to the degree of hydrogen and heavy element content in the atmosphere. New Ca K-line measurements or upper limits are reported for about half the sample stars. He ι λ5876 emission cores with a self-reversed central component are present for those stars with relatively low hydrogen abundance, as well as relatively low atmospheric heavy element pollution. This self-reversed structure disappears for stars with higher degrees of pollution and/or hydrogen abundance, giving way to a single absorption core. From our model atmospheres, we show that the self-reversed emission cores can be explained by temperature inversions in the upper atmosphere. We propose that the transition to a single absorption core is due to the additional opacity from hydrogen and heavy elements that inhibits the temperature inversions. Our current models do not exactly match the effective temperature range of the phenomenon or the amplitude of the self-reversed structure, which is possibly a result of missing physics such as 3D treatment, convective overshoot, and/or non-LTE effects. The He ι λ5876 line structure may prove to be a useful new diagnostic for calibrating temperature profiles in DB atmosphere models.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Tunable diode laser absorption spectroscopy with corrected laser ramping nonlinearities

A tunable diode laser absorption spectroscopy device includes a tunable diode laser. A laser driver is configured to drive the diode laser and ramp it within a particular frequency range. An analyte gas container, a reference gas container, and a fringe generating device are configured to receive the laser therethrough. An optical detector is configured to detect the laser after it has passed through the analyte gas container and/or the reference gas container, and the in-line fringe generating device. An acquisition card is configured to sample an output of the optical detector. A spectral analyzer is configured to receive output data from the acquisition card, determine a spectrum of the output data, decouple the fringe spectrum from the measured spectrum, calibrate the spectrum based on an expected ideal spectrum of both the fringe and reference gas, and determine a composition of the analyte based on the calibrated spectrum.

42 ENGINEERING↗
DOE OSTI2025

Investigating Np(VI) Nitrate Speciation Control through Temperature and Optical Spectroscopy

Numerous areas of nuclear processing, such as radioisotope production, nuclear waste remediation, and separations, depend upon the speciation of f-elements in the solution state. However, fundamental knowledge of the actinides─particularly Np─lags behind most of the elements on the periodic table. Despite the importance of Np(VI) chemistry in separations and nuclear processing, its speciation in HNO 3 remains uncertain. This work addresses some of these gaps by investigating the effect of HNO 3 concentration and temperature on the spectra and speciation of the Np(VI) nitrate system. Six samples of Np in 1 to 10 M HNO 3 were prepared and treated with (NH 4 ) 2 [Ce(NO 3 ) 6 ] to stabilize the hexavalent oxidation state. The absorbance spectrum of the 10 M HNO 3 is drastically different from the spectra of the other samples; the 10 M spectrum indicates coordination of nitrate ligands to the Np(VI)O 2 2+ ion to form a complex with high symmetry. Additionally, absorbance spectra were recorded over the temperature range of 15 to 40 °C, and systematic increases and decreases in certain spectral features of the ultraviolet–visible (UV–vis)–near-infrared (NIR) spectra are present in the spectra. The difference in spectral features suggests that Np(VI) nitrate speciation depends on temperature. Dilution studies of this sample were monitored with UV–vis–NIR and Raman spectroscopies. Spectral data indicate the presence of multiple complexes with different symmetries, including a high-symmetry complex with an inversion center. As samples are diluted and aquo ligands replace nitrate ligands bound to the Np(VI) neptunyl cation, changes in spectroscopic signals indicate a decrease in the high-symmetry nitrate complex and an increase in the lower-symmetry aquo complex. Additionally, the Raman band associated with the Np(VI)O 2 2+ symmetric stretch broadens with dilution and is fitted with two peaks. These peaks are assigned to Np(VI) aquo and nitrato complexes, indicating that this vibrational mode is sensitive to the coordination environment of the Np(VI) neptunyl cation and that contributions from these two Np(VI) complexes can be distinguished. This unique experimental data could be used to advance computational models describing the electronic transitions of complex actinyl ions.

Absorption↗
DOE OSTI2022

Leaf demography spectra, February 2017, PA-SLZ: Panama

This dataset contains leaf reflectance spectra of sunlit canopy leaves from trees at the San Lorenzo Protected Area (PA-SLZ), Panama. Spectra were measured with a full-spectrum (350 -2500 nm) spectroradiometer with a leaf clip attachment. Leaves previously documented in a demography survey were targeted, and each leaf spectrum is paired with species identification, relative leaf position on each branch and estimated leaf age in days. Leaves were measured from the following species: Apeiba membranacea, Carapa guianensis, Guatteria dumetorum, Miconia borealis, Tachigali versicolor, Terminalia amazonia, Tocoyena pittieri and Vochysia ferruginea Unprocessed spectral data are included as SVC *.sig files, and metadata, including sample details, are presented in *.xlsx files. Leaf reflectance spectra of sunlit canopy leaves from trees at the San Lorenzo Protected Area (PA-SLZ), Panama. Spectra were measured with a full-spectrum (350 -2500 nm) spectroradiometer with a leaf clip attachment. Leaves previously documented in a demography survey were targeted, and each leaf spectrum is paired with species identification, relative leaf position on each branch and estimated leaf age in days. Leaves were measured from the following species: Apeiba membranacea, Carapa guianensis, Guatteria dumetorum, Miconia borealis, Tachigali versicolor, Terminalia amazonia, Tocoyena pittieri and Vochysia ferruginea Unprocessed spectral data are included as SVC *.sig files, and metadata, including sample details, are presented in *.xlsx files.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Enhancing physicochemical, bioactive, and nutritional properties of sweet potatoes: Ultrasonic contact drying with slot jet nozzles compared to hot-air drying and freeze drying

Sweet potatoes are a rich source of nutrients and bioactive compounds, but their quality can be impacted by the drying process. This study investigates the impact of slot jet reattachment (SJR) nozzle and ultrasound (US) combined drying (SJR + US) on sweet potato quality, compared to freeze-drying (FD), SJR drying, and hot air drying (HAD). SJR + US drying at 50 °C closely resembled FD in enhancing quality attributes and outperformed HAD and SJR in key areas such as rehydration, shrinkage ratios, and nutritional composition. Notably, SJR + US at 50 °C produced the highest total starch (36.84 g/100 g), total dietary fiber (8.48 g/100 g), total phenolic content (158.19 mg GAE/100 g), total flavonoid content (119.08 mg QE/g), DPPH antioxidant activity (6.44 μmol TE/g), β-carotene (31.98 mg/100 g), and vitamin C (5.27 mg/100 g). It also exhibited higher glass transition temperatures (Tg: 14.49 °C), indicating better stability at room temperature. The hardness values for SJR + US samples were similar to FD, while HAD samples had the highest hardness. SJR + US at 50 °C resulted in the lowest total color changes (ΔE), indicating minimal impact on appearance. Additionally, FTIR analysis revealed that peaks in specific spectral regions indicated superior preservation of bioactive compounds in SJR + US samples compared to other methods, which was also confirmed by principal component analysis (PCA) and heatmap visualization. Overall, these findings suggest that SJR + US is an effective alternative to conventional drying techniques, significantly improving the quality of dried sweet potatoes.

Color↗
DOE OSTI2022

Electron-hole symmetry in quasiparticle spectral weight of cuprates observed via infrared and photoemission spectroscopy

Here we performed an optical spectroscopy study of single crystals of Pr 0.85 LaCe 0.15 CuO 4–δ (PLCCO) to revisit the electron-hole asymmetry, which has been understood as a fundamental property of cuprates. Four differently annealed samples—as-grown, reduced, optimally oxygenated, and overoxygenated samples—were prepared, which have superconducting transition temperatures T c = 0, 15, 24, and 18 K, respectively. We observed that the low-energy quasiparticle spectral weights of all the PLCCO samples are significantly small in comparison with those of other electron-doped cuprate families. Instead, they are rather close to those of their hole-doped counterpart La 2–x Sr x CuO 4 . Accordingly, estimated effective carrier numbers N eff per Cu atom of superconducting samples are also very small, despite their relatively high critical temperatures. A complementary photoemission study reveals that the low-energy quasiparticle spectral weight of PLCCO is much smaller than that of Nd 1.85 Ce 0.15 CuO 4–δ , consistent with the optical results. Our observations demonstrate that PLCCO provides the electron-hole symmetry in the quasiparticle spectral weight and highlight the importance of Cu 3d–O 2p hybridization to understand the low-energy spectral weight transfer in doped cuprates.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Abundant ammonia and nitrogen-rich soluble organic matter in samples from asteroid (101955) Bennu

Organic matter in meteorites reveals clues about early Solar System chemistry and the origin of molecules important to life, but terrestrial exposure complicates interpretation. Samples returned from the B-type asteroid Bennu by the Origins, Spectral Interpretation, Resource Identification, and Security–Regolith Explorer mission enabled us to study pristine carbonaceous astromaterial without uncontrolled exposure to Earth’s biosphere. Here we show that Bennu samples are volatile rich, with more carbon, nitrogen and ammonia than samples from asteroid Ryugu and most meteorites. Nitrogen-15 isotopic enrichments indicate that ammonia and other N-containing soluble molecules formed in a cold molecular cloud or the outer protoplanetary disk. We detected amino acids (including 14 of the 20 used in terrestrial biology), amines, formaldehyde, carboxylic acids, polycyclic aromatic hydrocarbons and N-heterocycles (including all five nucleobases found in DNA and RNA), along with ~10,000 N-bearing chemical species. All chiral non-protein amino acids were racemic or nearly so, implying that terrestrial life’s left-handed chirality may not be due to bias in prebiotic molecules delivered by impacts. The relative abundances of amino acids and other soluble organics suggest formation and alteration by low-temperature reactions, possibly in NH 3 -rich fluids. Bennu’s parent asteroid developed in or accreted ices from a reservoir in the outer Solar System where ammonia ice was stable.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Leaf-to-canopy spectral reflectance, February 2018, PA-SLZ: Panama

Canopy reflectance spectra of 37 trees were measured at the Smithsonian Tropical Research Institute (STRI) San Lorenzo Protected Area site (PA-SLZ), utilising the canopy access crane to access fully sunlit leaves. Data were recorded in the middle of the day, with 20–50 measurements for each tree. The canopy structure for each crown was captured using a digital camera. Leaf-level reflectance and leaf demographic composition (age class) was recorded in detail for a > 0.5 meter branch sampled from each canopy tree (corresponding to the position where canopy spectra were measured). This dataset includes processed canopy and leaf-level spectral measurements (*.xlsx), raw spectral data (Spectral Evolution PSR+, *.raw, *.sed), sample details (*.xlsx) and *.pdf summaries containing low resolution photographs of the measured canopies. Full resolution images are available in the related dataset, "Leaf-to-canopy spectral reflectance photographs, February 2018, PA-SLZ: Panama".

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Persistent Protein Motions in a Rugged Energy Landscape Revealed by Normal Mode Ensemble Analysis

Proteins are allosteric machines that couple motions at distinct, often distant, sites to control biological function. Low-frequency structural vibrations are a mechanism of this long-distance connection and are often used computationally to predict correlations, but experimentally identifying the vibrations associated with specific motions has proved challenging. Spectroscopy is an ideal tool to explore these excitations, but measurements have been largely unable to identify important frequency bands. The result is at odds with some previous calculations and raises the question what methods could successfully characterize protein structural vibrations. Here we show the lack of spectral structure arises in part from the variations in protein structure as the protein samples the energy landscape. However, by averaging over the energy landscape as sampled using an aggregate 18.5 μs of all-atom molecular dynamics simulation of hen egg white lysozyme and normal-mode analyses, we find vibrations with large overlap with functional displacements are surprisingly concentrated in narrow frequency bands. These bands are not apparent in either the ensemble averaged vibrational density of states or isotropic absorption. However, in the case of the ensemble averaged anisotropic absorption, there is persistent spectral structure and overlap between this structure and the functional displacement frequency bands. We systematically lay out heuristics for calculating the spectra robustly, including the need for statistical sampling of the protein and inclusion of adequate water in the spectral calculation. The results show the congested spectrum of these complex molecules obscures important frequency bands associated with function and reveal a method to overcome this congestion by combining structurally sensitive spectroscopy with robust normal mode ensemble analysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Molecular detection of per- and polyfluoroalkyl substances in water using time-of-flight secondary ion mass spectrometry

Detection of per- and polyfluoroalkyl substances (PFASs) is crucial in environmental mitigation and remediation of these persistent pollutants. We demonstrate that time-of-flight secondary ion mass spectrometry (ToF-SIMS) is a viable technique to analyze and identify these substances at parts per trillion (ppt) level in real field samples without complicated sample preparation due to its superior surface sensitivity. Several representative PFAS compounds, such as perfluorooctanesulfonic acid (PFOS), perfluorobutanoic acid (PFBA), perfluoropentanoic acid (PFPeA), perfluoheptanoic acid (PFHpA), and perfluorononanoic acid (PFNA), and real-world groundwater samples collected from monitoring wells installed around at a municipal wastewater treatment plant located in Southern California were analyzed in this work. ToF-SIMS spectral comparison depicts sensitive identification of pseudo-molecular ions, characteristic of reference PFASs. Additionally, principal component analysis (PCA) shows clear discrimination among real samples and reference compounds. Our results show that characteristic molecular ion and fragments peaks can be used to identify PFASs. Furthermore, SIMS two-dimensional (2D) images directly exhibit the distribution of perfluorocarboxylic acid (PFCA) and PFOS in simulated mixtures and real wastewater samples. Such findings indicate that ToF-SIMS is useable to determine PFAS compounds in complex environmental water samples. In conclusion, ToF-SIMS provides simple sample preparation and high sensitivity in mass spectral imaging, offering an alternative solution for environmental forensic analysis of PFASs in wastewater in the future.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗