Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “optical absorption”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Tuned and screened range-separated hybrid density functional theory for describing electronic and optical properties of defective gallium nitride

We apply a hybrid density functional theory approach, based on a tuned and screened range-separated hybrid (SRSH) exchange-correlation functional, to describe the optoelectronic properties of defective gallium nitride (GaN). SRSH and time-dependent SRSH (TDSRSH) are tuned to produce accurate energetics for the pristine material and applied to the study of a series of point defects in bulk GaN, a blue light-emitting material that degrades in the presence of defects. We first establish the accuracy of the method by comparing the predicted quasiparticle gap and low-energy excitation spectra of (TD)SRSH and many-body perturbation theory for both pristine GaN and GaN containing a single nitrogen vacancy. Aided by the reduced computational cost of (TD)SRSH, we then report on three additional technologically relevant point defects and defect complexes in GaN: the gallium vacancy, the carbon interstitial, and the carbon-silicon complex. We compute the low-energy optical absorption spectra for these defects and show the presence of defect-centered transitions. Furthermore, by estimating the Stokes shift, we predict, in agreement with previous studies, that the carbon substitutional defect is a candidate for the detrimental yellow luminescence in GaN. Furthermore, this study indicates that TDSRSH is a promising and computationally feasible approach for quantitatively accurate, first-principles modeling of defective semiconductors.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Hybrid density functional study of band gap engineering of SrTi O 3 photocatalyst via doping for water splitting

Perovskite SrTiO 3 (STO) is an attractive photocatalyst for solar water splitting but suffers from a limited photoresponse in the visible spectral range due to its wide band gap. By means of hybrid density functional theory calculations, we systematically study engineering its band gap via doping 4$\textit{d}$ and 5$\textit{d}$ transition-metals $\textit{M}$ (M = Zr, Nb, Mo, Tc, Ru, Rh, Pd, Hf, Ta, W, Re, Os, Ir, and Pt) and chalcogen elements $\textit{Y}$ ($\textit{Y}$ = S and Se).We find that transition-metal dopant M either has no effect on the STO band gap or introduces detrimental midgap states except for Pd and Pt that are able to reduce the STO band gap. In contrast, doping S and Se significantly reduces STO’s direct band gap, thus, leading to appreciable optical absorption transitions in the visible spectral range. In this work, our findings provide that Pd-, S-, and Se-doped STO are potential promising photocatalysts for water splitting under visible light irradiation thereby providing insightful theoretical guides for experiments to improve the photocatalytic activity of STO.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Diagnosis of PV Cell Antireflective Coating Degradation Resulting From Hot-Humid High-Voltage Potential Aging

Corrosion of the antireflective coating on a photovoltaic cell ("ARc corrosion") has previously been observed in studies using hot-humid test conditions with external high-voltage (HV) bias. This study primarily focuses on known vulnerable legacy aluminum back surface field cells in mini-modules (MiMos) put through comparative stepped stress tests. Each cell type had MiMos at +1500 V, -1500 V, or unbiased ("Voc") potential, which were sequentially subjected to test conditions of 60 degrees C/60% relative humidity (RH) for 96 h, as in International Electrotechnical Commission Technical Specification 62804-1; 70 degrees C/70% RH for 200 h; and 85 degrees C/85% RH for 200 h. Characterizations at each step included visual camera and electroluminescence (EL) imaging, colorimetry, and current-voltage curve tracing. Final characterizations included: Suns-Voc, spatial mapping of external quantum efficiency, high-resolution photoluminescence, EL, and dark lock-in thermography imaging. Forensics were performed on extracted cores, including scanning electron microscopy (SEM) with energy-dispersive X-ray spectroscopy (EDS), X-ray photoelectron spectroscopy, and scanning Auger microscopy (SAM). Forensics were also conducted on MiMos from previous studies that underwent stepped HV aging and separate outdoor aged full-sized modules. ARc corrosion was specifically seen for the glass/encapsulant/cell side of the +1500 V (HV+) stressed MiMos and modules. Appearance, color, and reflectance were the most distinguishing characteristics relative to glass corrosion, gridline corrosion and delamination, and other concurrent degradation modes. SEM/EDS and SAM identified the conversion of silicon nitride to hydrated silica, hydrous silica, or hydrated amorphous silica, which preferentially occurred at the edges and tips of the pyramidal textured cell surface.

14 SOLAR ENERGY↗
DOE OSTI2024

Study of electro-physical properties of CsPbBr3 perovskite single crystals

Methods have been developed for the synthesis and growth of lead halide perovskites CsPbBr3, which can be used as detectors of optical, X-ray and gamma-radiation. Single crystals of these compounds were grown by the Bridgman method. The melt temperature was 580 °C, the gradient at the crystallization front was 5 K/cm, and the ampoule lowering speed was 3 mm/hour. In this work, the electro-physical properties of the inorganic perovskite CsPbBr3 were investigated. Crystals for research were cut from the beginning and end of the ingot. The optical absorption spectra were measured depending on the crystal thickness and temperature, the differential resistivity dif and the product  were determined from the I-V characteristics. It was established that dif practically does not change for samples made from the beginning and the end of the ingot, and is dif  21010 Ωcm at 100 V and 293 K.

Sklyarchuk, V.↗
DOE OSTI2024

Electrophysical Properties of Cd 0.96 Mn 0.04 Te 0.96 Se 0.04 Surface-Barrier Diodes

Diode structures, obtained by vacuum deposition of Al onto the surface of a p-Cd 0.96 Mn 0.04 Te 0.96 Se 0.04 single crystals, have been manufactured and studied. Applying the Sah-Noyce–Shockley carrier generation-recombination model, a quantitative description of the electrical characteristics of diodes has been achieved. Here, the resistivity of p-Cd 0.96 Mn 0.04 Te 0.96 Se 0.04 crystals was equal to ρ ≈ 400 Ω⋅cm and was determined from the I–V characteristics of the structure with two ohmic contacts, which were obtained by chemical deposition of gold. The activation energy of the dark temperature dependence of resistivity ρ=ρ(T) was equal to ΔE≈0.24 eV. The forbidden gap of p-Cd 0.96 Mn 0.04 Te 0.96 Se 0.04 crystals, found from the optical absorption spectra, was equal to E g =1.495 eV.

42 ENGINEERING↗
DOE OSTI2020

Looking through model medieval green glasses: From color to recipe

Abstract The colors of medieval stained glasses depend on their chemical composition. The redox interactions in glass between iron and copper and their influence on the color were investigated in two soda‐lime silicate model glasses. Both glasses have close iron and copper redox ratios and copper oxidizes iron when the iron content is smaller than the copper content. The redox speciation of iron and copper was determined using combining x‐ray and optical absorption spectroscopies in relation with the resulting color. The molar extinction coefficient of Cu 2+ was estimated from the combined analysis to be 32 mol/L/cm. The glass color change from green to blue‐green color is assigned to the decrease of the total iron content, confirming that ancient glassmakers could control the final color with the glass recipe. These results provide reference data for further spectroscopic investigations of medieval stained glasses. Comparison with ancient copper‐colored green glass compositions suggests that the higher ratio of copper to iron total contents was imposed by the more reducing melting conditions in medieval furnaces.

Hunault, Myrtille O. J. Y.↗
DOE OSTI2020

Spatially resolved characterization of optical and recombination losses for different industrial silicon solar cell architectures

In this work, spatially resolved characterization methods are used to identify loss mechanisms for common p -type silicon solar cell architectures, including multicrystalline aluminum back surface field (Al-BSF), monocrystalline Al-BSF, monocrystalline passivated emitter and rear cells (PERC), and bifacial monocrystalline PERC. The characterization methods used in this work include suns-V OC , photoluminescence imaging, and spatially resolved external quantum efficiency and reflectance measurements. The optical and recombination losses are driven by the material properties, cell processing conditions, and device architecture. These losses are quantified and categorized in terms of underlying mechanisms (e.g., front reflectance, escape reflectance, front recombination, and parasitic optical absorption and recombination in the bulk and rear). The ability to create images of these loss parameters can be used to gain more insight into the materials and manufacturing processes used to produce solar cells, and examples are given in this work to illustrate how these images can help reveal the origin of defects.

14 SOLAR ENERGY↗
DOE OSTI2021

Kohn-Sham Solver (KSSOLV) v2.0

KSSOLV is a MATLAB toolbox for solving Kohn-Sham density functional theory based electronic structure eigenvalue problems. It uses an object oriented features of MATLAB to represent atom, molecules, wavefunctions and Hamiltonians and their operations. It is designed to make it easier for users to prototype and test new algorithms for solving the Kohn-Sham problem. KSSOLV2.0 contains significant improvement over the original KSSOLV described in a paper published in ACM Transaction on Mathematical Software (attached). In addition to performing ground state calculation for small molecules, it can also perform geometry optimization for both molecules and solids. It uses standard pseudopotentials and implements local density approximation, generalized gradient approximation and hybrid functionals. Future releases will also include time-dependent DFT and post DFT calculations such as the GW quasi-particle energy calculation and Bethe-Salpeter equation solver for optical absorption.

Yang, Chao↗
DOE OSTI2020

Wurtzite materials in alloys of rock salt compounds

Materials with crystal structures containing tetrahedral motifs are preferable for optoelectronic applications because they often have direct band gaps and low electron effective masses. However, crystal structures of manganese chalcogenides typically contain octahedral motifs, such as in rocksalt (RS) MnS and MnSe materials. Here we experimentally show that MnS 1-x Se x alloys with tetrahedrally-bonded wurtzite (WZ) structure can form between MnSe and MnS parent compounds with octahedral RS structures, at S-rich compositions (x<0.4) and low synthesis temperatures (~300°C). The calculated mixing enthalpies of MnS1-xSex alloys in RS and WZ structures cannot explain this experimental observation, so we hypothesize that WZ stabilization may be related to smaller structure density and lower surface energy compared to RS. The resulting WZ MnS 1-x Se x alloys have 3.0-3.2 eV optical absorption onset and lower electrical conductivity (<0.0001 S/cm) compared to the parent RS compounds. These experimental measurement result are consistent with computationally predicted band gaps and effective masses.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Thermodynamically Stable, Plasmonic Transition Metal Oxide Nanoparticle Solar Selective Absorbers towards 95% Optical-to-Thermal Conversion Efficiency at 750 °C

Generation 3 (Gen) concentrating solar power (CSP) systems requires a high operation temperature ≥750°C to increase the power-cycle efficiency towards ≥50%. However, such a high operation temperature poses a notable challenge to high temperature materials. On the receiver side, a critical challenge is the lack of solar selective absorbers that demonstrate both high optical-to-thermal energy conversion efficiency η therm approaching 95% and long-term thermal stability at >750°C in air. Existing solar absorbers either have limited η therm ≤89% or deteriorate significantly within 500 h at 750°C; some of these also require costly vacuum deposition for stringent thickness control. Therefore, it is highly desirable to simultaneously achieve η therm ~95% AND high thermal stability at 750°C for future generations of CSP receivers. This project has investigated and developed low-cost, highly scalable spray-coated transition metal oxide nanoparticle (NP) pigmented solar selective coatings on various types of Inconel alloy tube sections that are thermodynamically stable at 750-800°C in air, maintaining η therm >94.3%(93.2%) under a solar concentration ratio of C=1000 after 60 simulated day-night cycles at 750ºC (800ºC) (1 cycle=12 h at 750 or 800°C and 12h ramping down to 25°C). We have also coated up to 48 inches long receiver tubes for preliminary solar testing under Norwich Technology’s parabolic trough systems, demonstrating notably improved performance in solar heating compared to benchmark Pyromark 2500 coatings. Two key innovations have been developed in this project: (1) We achieved an unprecedented high thermal efficiency >94% by optimizing the d-band optical absorption spectra of transition metal ions, engineering their valences and stoichiometry; (2) We were able to maintain or even slightly increase the efficiency when operating at 750°C in air by engineering the interdiffusion of transition metal ions between the coating and the Inconel substrate to our advantage. Featuring high-temperature solar spectral selectivity and thermodynamic stability in air, as well as low-cost, highly scalable solution-chemical synthesis and spray coating techniques, this innovation in solar selective absorber technology alone accounts for nearly 40% of the targeted reduction in the levelized cost of electricity (LCOE) from the receiver, thermal energy storage, and operation & maintenance combined by 2030, as proposed by the U.S. Department of Energy. For a 110 MWe CSP power plant, this LCOE reduction from the solar selective coating alone transfers to ~$\$ $1.9 M increase in annual profit based on a sales price of 10¢/kWh (or an annual sale of $50 M/year). The high solar absorptance (~98%) NP pigment materials developed in this project are equally applicable to volumetric receivers either as a coating or as bigger ceramic microspheres after sintering, potentially benefiting Gen3 falling particle CSP technologies. All these contributions facilitate the larger scale deployment of CSP systems with energy storage capability to address the intermittency issue of solar energy towards dispatchable solar electricity, bridging the temporal gap between peak solar electricity production and peak electricity consumption. The collaboration with Norwich Technologies and Brayton Energy in this project will also facilitate the future commercialization of this new solar selective coating technology developed in this SIPS project.

14 SOLAR ENERGY↗
DOE OSTI2023

Quantifying Optical Loss of High-Voltage Degradation Modes in PV Modules Using Spectral Analysis [Slides]

The direct current bias for photovoltaic (PV) modules interconnected in series-strings may include both high voltage negative ("HV-") and positive ("HV+") polarity with respect to the electrical ground. Multiple degradation modes, resulting in quantifiable optical loss, were found to occur during HV-/HV+ sequential stress, including: corrosion of the external glass surface, encapsulant delamination (at its interfaces with the glass and the PV cell), internal haze formation (resulting from a chemical interaction between the glass and the encapsulant), corrosion and migration of the gridlines, and corrosion of the silicon nitride (SixNy) antireflective coating on the cell. The effects of these separate modes were examined using monolithic (e.g., glass or PV cell) and laminated-coupon (glass/encapsulant/glass or glass/encapsulant/cell/encapsulant/backsheet) specimens. Characterizations during and after unbiased accelerated testing at 85 degrees C/85% relative humidity included: spectrophotometry, optical microscopy, electron microscopy, and ellipsometry. For some module components (i.e., the glass and the SixNy coating), the optical performance was determined through iterative analysis of empirical measurements. Concentrating on just their spectral effect, a novel model was then developed to estimate the transfer of light to the PV cell and the return of light from the PV module with simultaneous degradation mechanisms, which was compared to a mini-module previously subjected to HV-/HV+ stress. The model suggests one-third of the current loss observed for the mini-module can be attributed to the optical degradation of the packaging materials. The dominant degradation modes include encapsulant delamination and corrosion of the SixNy coating. Recommendations are given so that the optical model may be improved relative to accelerated testing and validated relative to field aging.

14 SOLAR ENERGY↗
DOE OSTI2024

Optoelectronic properties of bent two-dimensional materials from first-principles methods combined with machine learning

A material’s interaction with light is highly relevant in the design of nanoelectronic devices such as photodiodes, solar cells, photocatalytic cells, phototransistors, and photodetectors. The interaction of a material with light can be altered by mechanical deformation. Fine tuning of the optical properties can be achieved by mechanical bending that alters the electronic structure. Optical properties strongly depend on band gaps, therefore any alteration in the band structure results in a changed optical response of the material. The impact of bending was explored in this project. The goal of this project was to assess the impact of mechanical bending of two-dimensional transition metal dichalcogenides on their optoelectronic properties, using first-principles methods. These first-principles approximations are largely built upon many-body theory for the optical properties of magnetic and topological nanoribbons. GW-BSE is standard for optical absorption, but it is less practical for collective excitations as it was shown in model systems. Time-dependent density functional theory, however, has better promises for collective excitations in low-dimensional materials.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Diagnosis of PV Cell Antireflective Coating Degradation Resulting from Hot-Humid, High Voltage Potential Aging

Corrosion of the antireflective coating on a photovoltaic cell ("ARc corrosion") has previously been observed in studies using hot-humid test conditions with external high-voltage (HV) bias. This study primarily focuses on known vulnerable, legacy aluminum back surface field (Al-BSF) cells in mini-modules (MiMos) put through comparative stepped stress tests. Each cell type had MiMos at +1500 V, -1500 V, or unbiased ("Voc") potential, which were sequentially subjected to test conditions of 60deg C/60% relative humidity (RH) for 96 h, as in International Electrotechnical Commission (IEC) Technical Specification 62804-1; 70 deg C/70% RH for 200 h; and 85 deg C/85% RH for 200 h. Characterizations at each step included visual camera and electroluminescence (EL) imaging, colorimetry, and current-voltage (I-V) curve tracing. Final characterizations included: Suns-Voc; spatial mapping of external quantum efficiency (EQE); high-resolution photoluminescence (PL), EL, and dark lock-in thermography (DLIT) imaging. Forensics were performed on extracted cores, including scanning electron microscopy (SEM) with energy-dispersive X-ray spectroscopy (EDS), X-ray photoelectron spectroscopy (XPS), and scanning Auger microscopy (SAM). Forensics were also conducted on MiMos from previous studies that underwent stepped HV aging and separate outdoor aged full-sized modules. ARc corrosion was specifically seen for the glass/encapsulant/cell side of the +1500V (HV+) stressed MiMos and modules. Appearance, color, and reflectance were the most distinguishing characteristics relative to glass corrosion, gridline-corrosion and -delamination as well as other concurrent degradation modes. SEM/EDS and SAM identified conversion of silicon nitride to hydrated silica, hydrous silica, or hydrated amorphous silica, which preferentially occurred at the edges and tips of the pyramidal textured cell surface.

14 SOLAR ENERGY↗
DOE OSTI2021

Radiation-Induced Oxidation Reactions of 2-Selenouracil in Aqueous Solutions: Comparison with Sulfur Analog of Uracil

One-electron oxidation of 2-selenouracil (2-SeU) by hydroxyl (●OH) and azide (●N3) radicals leads to various primary reactive intermediates. Their optical absorption spectra and kinetic characteristics were studied by pulse radiolysis with UV-vis spectrophotometric and conductivity detection and by the density functional theory (DFT) method. The transient absorption spectra recorded in the reactions of ●OH with 2-SeU are dominated by an absorption band with an λmax = 440 nm, the intensity of which depends on the concentration of 2-SeU and pH. Based on the combination of conductometric and DFT studies, the transient absorption band observed both at low and high concentrations of 2-SeU was assigned to the dimeric 2c-3e Se-Se-bonded radical in neutral form (2●). The dimeric radical (2●) is formed in the reaction of a selenyl-type radical (6●) with 2-SeU, and both radicals are in equilibrium with Keq = 1.3 × 104 M−1 at pH 4 (below the pKa of 2-SeU). Similar equilibrium with Keq = 4.4 × 103 M−1 was determined for pH 10 (above the pKa of 2-SeU), which admittedly involves the same radical (6●) but with a dimeric 2c-3e Se-Se bonded radical in anionic form (2●−). In turn, at the lowest concentration of 2-SeU (0.05 mM) and pH 10, the transient absorption spectrum is dominated by an absorption band with an λmax = 390 nm, which was assigned to the ●OH adduct to the double bond at C5 carbon atom (3●) based on DFT calculations. Similar spectral and kinetic features were also observed during the ●N3-induced oxidation of 2-SeU. In principle, our results mostly revealed similarities in one-electron oxidation pathways of 2-SeU and 2-thiouracil (2-TU). The major difference concerns the stability of dimeric radicals with a 2c-3e chalcogen-chalcogen bond in favor of 2-SeU.

2-selenouracil↗
DOE OSTI2022

Polarization-dependent conversion efficiency of carbon nanotube-Si heterojunction solar cells based on aligned carbon nanotube films

We have fabricated solar cells that implement heterojunctions of Si and aligned carbon nanotube (CNT) films. Polarization-dependent optical absorption of highly aligned CNTs led to polarization-dependent conversion efficiencies, which in turn provided insight into the role of the CNT layer in the power generation mechanism in these heterojunction solar cells. When the incident light polarization was parallel to the CNT alignment direction so that the light absorption in the CNT layer was maximized, the short circuit photocurrent decreased by ~25%. This indicates that electron–hole pair generation in the CNT layer does not directly lead to power generation and that the CNT-Si heterojunctions in our devices are Schottky junctions rather than p–n junctions.

Physics↗
DOE OSTI2021

Version 4 CALIPSO Imaging Infrared Radiometer ice and liquid water cloud microphysical properties – Part I: The retrieval algorithms

Following the release of the version 4 Cloud-Aerosol Lidar with Orthogonal Polarization (CALIOP) data products from the Cloud-Aerosol Lidar and Infrared Pathfinder Satellite Observations (CALIPSO) mission, a new version (version 4; V4) of the CALIPSO Imaging Infrared Radiometer (IIR) Level 2 data products has been developed. The IIR Level 2 data products include cloud effective emissivities and cloud microphysical properties such as effective diameter and ice or liquid water path estimates. Dedicated retrievals for water clouds were added in V4, taking advantage of the high sensitivity of the IIR retrieval technique to small particle sizes. This paper (Part I) describes the improvements in the V4 algorithms compared to those used in the version 3 (V3) release, while results will be presented in a companion (Part II) paper. The IIR Level 2 algorithm has been modified in the V4 data release to improve the accuracy of the retrievals in clouds of very small (close to 0) and very large (close to 1) effective emissivities. To reduce biases at very small emissivities that were made evident in V3, the radiative transfer model used to compute clear-sky brightness temperatures over oceans has been updated and tuned for the simulations using Modern-Era Retrospective analysis for Research and Applications version 2 (MERRA-2) data to match IIR observations in clear-sky conditions. Furthermore, the clear-sky mask has been refined compared to V3 by taking advantage of additional information now available in the V4 CALIOP 5 km layer products used as an input to the IIR algorithm. After sea surface emissivity adjustments, observed and computed brightness temperatures differ by less than ±0.2 K at night for the three IIR channels centered at 08.65, 10.6, and 12.05 µm, and inter-channel biases are reduced from several tens of Kelvin in V3 to less than 0.1 K in V4. We have also improved retrievals in ice clouds having large emissivity by refining the determination of the radiative temperature needed for emissivity computation. The initial V3 estimate, namely the cloud centroid temperature derived from CALIOP, is corrected using a parameterized function of temperature difference between cloud base and top altitudes, cloud absorption optical depth, and CALIOP multiple scattering correction factor. As shown in Part II, this improvement reduces the low biases at large optical depths that were seen in V3 and increases the number of retrievals. As in V3, the IIR microphysical retrievals use the concept of microphysical indices applied to the pairs of IIR channels at 12.05 and 10.6 µm and at 12.05 and 08.65 µm. The V4 algorithm uses ice look-up tables (LUTs) built using two ice habit models from the recent “TAMUice2016” database, namely the single-hexagonal-column model and the eight-element column aggregate model, from which bulk properties are synthesized using a gamma size distribution. Four sets of effective diameters derived from a second approach are also reported in V4. Here, the LUTs are analytical functions relating microphysical index applied to IIR channels 12.05 and 10.6 µm and effective diameter as derived from in situ measurements at tropical and midlatitudes during the Tropical Composition, Cloud, and Climate Coupling (TC4) and Small Particles in Cirrus Science and Operations Plan (SPARTICUS) field experiments.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Intercomparison of airborne and surface-based measurements during the CLARIFY, ORACLES and LASIC field experiments

Data are presented from intercomparisons between two research aircraft, the FAAM BAe-146 and the NASA Lockheed P3, and between the BAe-146 and the surface-based DOE (Department of Energy) ARM (Atmospheric Radiation Monitoring) Mobile Facility at Ascension Island (8 S, 14.5W, a remote island in the mid-Atlantic). These took place from 17 August to 5 September 2017, during the African biomass burning season. The primary motivation was to give confidence in the use of data from multiple platforms with which to evaluate numerical climate models. The three platforms were involved in the CLouds-Aerosol-Radiation Interaction and Forcing for Year 2017 (CLARIFY-2017), ObseRvations of Aerosols above CLouds and their intEractionS (ORACLES), and Layered Atlantic Smoke and Interactions with Clouds (LASIC) field experiments. Comparisons from flight segments on six days where the BAe-146 flew alongside the ARM facility on Ascension Island are presented, along with comparisons from wing-tip to wing-tip flight of the P3 and BAe-146 on 18 th August 2017. The intercomparison flight sampled a relatively clean atmosphere overlying a moderately polluted boundary layer, while the 6 fly-bys of the ARM site sampled both clean and polluted conditions 2–4 km upwind. We compare and validate characterisations of aerosol physical, chemical, and optical properties, atmospheric radiation, and cloud microphysics between platforms. We assess the performance of measurement instrumentation in the field, under conditions where sampling conditions are not tightly controlled as in laboratory measurements where calibrations are performed. Solar radiation measurements compared well between airborne platforms. Optical absorption coefficient measurements compared well across all three platforms, even though absolute magnitudes were often low (< 10 Mm -1 ) and close to the sensitivity limits of measurement instrumentation thereby confounding assessments of the comparability of absorption Ångström exponent characterisations. Aerosol absorption measurements from airborne platforms were more comparable than aircraft-to-ground observations. Scattering coefficient observations compared well between airborne platforms, but agreement with ground-based measurements was worse, potentially caused by small differences in sampling conditions or actual aerosol population differences. Chemical composition measurements followed a similar pattern, with better comparisons between the airborne platforms. Thermodynamics, aerosol, and cloud microphysical properties generally compared well.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Leveraging machine learning to enhance aerosol classification using Single-Particle Mass Spectrometry

Advancing automated classification of atmospheric aerosols from Single-Particle Mass Spectrometry (SPMS) data remains challenging due to overlapping ion signatures, compositional diversity, and limited labeled data. This study evaluates supervised and semi-supervised learning frameworks to enhance aerosol identification by jointly leveraging labeled and unlabeled spectra. Four models were compared: a supervised Support Vector Machine (SVM), a self-training SVM, a stacked autoencoder classifier, and a stacked autoencoder trained using a temporal-ensembling Mean Teacher approach. All models achieved high and stable accuracies (90.0 %–91.1 %), surpassing previous results on the same dataset (87 %) and matching the performance of state-of-the-art deep learning methods. Despite small global metric differences (≤ 1 %), semi-supervised variants yielded up to 5 %–10 % improvements for compositionally rare particle types – such as soot (0.77 % of spectra, F1-score: 0.93–0.97) and hazelnut pollen (0.98 % of spectra, F1-score: 0.97–1.00) – equating to roughly ∼ 187 additional correctly classified spectra. These gains are scientifically significant, as such rare particles exert disproportionate influence on radiative absorption and ice nucleation processes; their improved detection reduces modeled uncertainties in aerosol absorption optical depth and mixed-phase cloud ice nucleation rates. The models' residual misclassifications (≈ 9 %) largely arise from true spectral overlap among chemically adjacent species (e.g., Na- vs. K-feldspar, coated vs. uncoated feldspars), reflecting physical compositional continuity rather than algorithmic error. Collectively, these findings demonstrate that leveraging unlabeled data to learn robust spectral representations and refine classification enhances both fidelity and interpretability, bridging data-driven analysis with aerosol–climate process understanding.

54 ENVIRONMENTAL SCIENCES↗