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DOE OSTI2020

Plateau de Bure High-z Blue Sequence Survey 2 (PHIBSS2): Search for Secondary Sources, CO Luminosity Functions in the Field, and the Evolution of Molecular Gas Density through Cosmic Time

We report on the results of a search for serendipitous sources in CO emission in 110 cubes targeting CO(2 − 1), CO(3 − 2), and CO(6 − 5) at z ∼ 1–2 from the second Plateau de Bure High-z Blue Sequence Survey (PHIBSS2). The PHIBSS2 observations were part of a 4 yr legacy program at the IRAM Plateau de Bure Interferometer aimed at studying early galaxy evolution from the perspective of molecular gas reservoirs. We present a catalog of 67 candidate secondary sources from this search, with 45 of the 110 data cubes showing sources in addition to the primary target that appear to be field detections, unrelated to the central sources. This catalog includes redshifts, line widths, and fluxes, as well as an estimation of their reliability based on their false-positive probability. We perform a search in the 3D Hubble Space Telescope/CANDELS catalogs for the secondary CO detections and tentatively find that ∼64% of these have optical counterparts, which we use to constrain their redshifts. Finally, we use our catalog of candidate CO detections to derive the CO(2 − 1), CO(3 − 2), CO(4 − 3), CO(5 − 4), and CO(6 − 5) luminosity functions over a range of redshifts, as well as the molecular gas mass density evolution. Despite the different methodology, these results are in very good agreement with previous observational constraints derived from blind searches in deep fields. They provide an example of the type of “deep-field” science that can be carried out with targeted observations.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS2020

Assessment of Natural and Anthropogenic Aerosol Air Pollution In the Middle East Using MERRA-2, CAMS Data Assimilation Products, and High-Resolution WRF-Chem Model Simulations

Modern-Era Retrospective analysis for Research and Applications v.2 (MERRA-2), Copernicus Atmosphere Monitoring Service Operational Analysis (CAMS-OA), and a high-resolution regional Weather Research and Forecasting model coupled with chemistry (WRF-Chem) were used to evaluate natural and anthropogenic particulate matter (PM) air pollution in the Middle East (ME) during 2015–2016. Two Moderate Resolution Imaging Spectrometer (MODIS) retrievals – combined product Deep Blue and Deep Target (MODIS-DB&DT) and Multi-Angle Implementation of Atmospheric Correction (MAIAC) – and Aerosol Robotic Network (AERONET) aerosol optical depth (AOD) observations as well as in situ PM measurements for 2016 were used for validation of the WRF-Chem output and both assimilation products. MERRA-2 and CAMS-OA assimilate AOD observations. WRF-Chem is a free-running model, but dust emission in WRF-Chem is tuned to fit AOD and aerosol volume size distributions obtained from AERONET. MERRA-2 was used to construct WRF-Chem initial and boundary conditions both for meteorology and chemical and aerosol species. SO2 emissions in WRF-Chem are based on the novel OMI-HTAP SO2 emission dataset. The correlation with the AERONET AOD is highest for MERRA-2 (0.72–0.91), MAIAC (0.63–0.96), and CAMSOA (0.65–0.87), followed by MODIS-DB&DT (0.56–0.84) and WRF-Chem (0.43–0.85). However, CAMS-OA has a relatively high positive mean bias with respect to AERONET AOD. The spatial distributions of seasonally averaged AODs from WRF-Chem, assimilation products, and MAIAC are well correlated with MODIS-DB&DT AOD product. MAIAC has the highest correlation (R = 0.8), followed by MERRA-2 (R = 0.66), CAMS-OA (R = 0.65), and WRF-Chem (R = 0.61). WRF-Chem, MERRA-2, and MAIAC underestimate and CAMS-OA overestimates MODIS-DB&DT AOD. The simulated and observed PM concentrations might differ by a factor of 2 because it is more challenging for the model and the assimilation products to reproduce PM concentration measured within the city. Although aerosol fields in WRF-Chem and assimilation products are entirely consistent, WRF-Chem is preferable for analysis of regional air quality over the ME due to its higher spatial resolution and better SO2 emissions. The WRF-Chem’s PM background concentrations exceed the World Health Organization (WHO) guidelines over the entire ME. Mineral dust is the major contributor to PM (≈ 75%–95%) compared to other aerosol types. Near and downwind from the SO2 emission sources, non-dust aerosols (primarily sulfate) contribute up to 30% to PM(sub 2.5). The contribution of sea salt to PM in coastal regions can reach 5%. The contributions of organic matter, black carbon and organic carbon to PM over the Middle East are insignificant. In the major cities over the Arabian Peninsula, the 90th percentile of PM(sub 10) and PM(sub 2.5) (particles with diameters less than 10 and 2.5 μm, respectively) daily mean surface concentrations exceed the corresponding Kingdom of Saudi Arabia air quality limits. The contribution of the non-dust component to PM(sub 2.5) is < 25%, which limits the emission control effect on air quality. The mitigation of the dust effect on air quality requires the development of environment-based approaches like growing tree belts around the cities and enhancing in-city vegetation cover. The WRF-Chem configuration presented in this study could be a prototype of a future air quality forecast system that warns the population against air pollution hazards.

Alexander Ukhov↗

NASA NTRSDate not supplied

In-Situ Detection of Process-Induced Porosity During Cure of Out-of-Autoclave Composites

Composite materials offer unique benefits in aerospace applications, including high strength-to-weight ratio, and are becoming increasingly used by industry manufacturers. Current manufacturing and processing methods can lead to defects in the composites, which are identified after fabrication using inspection methods. This study utilized a high-temperature ultrasonic inspection system to detect process-induced porosity in an out-of-autoclave (OOA) composite panel during cure. In order to perform ultrasonic scans in-situ during cure, the system needed to be able to operate at oven temperatures up to 200 °C. There are no commercially available ultrasonic scanning systems that can operate continuously at these temperatures, so an enclosure was fabricated to insulate the ultrasonic system in the curing oven. The enclosure housed a MISTRAS® motorized X-Y raster scanner and contact transducer (Olympus® X2002). The Olympus® X2002 contact transducer is a continuous high-temperature delay line transducer with a center frequency of 2.25 MHz. In order to prevent the inside of the enclosure from reaching high temperatures, a sparge pipe inside the cooling enclosure was connected to a liquid nitrogen (LN2) tank outside of the oven via insulated hoses. The cooling system was automatically controlled by a temperature controller that was programmed to open a solenoid valve along the hose at 31 ℃ and close at 28 ℃ inside the cooling enclosure. When the solenoid valve was open, LN2 would flow from the LN2 tank and vaporize prior to reaching cooling enclosure. A U-shaped sparge pipe had holes drilled along its length to uniformly introduce cold nitrogen gas into the cooling enclosure. This prevented the motors from ever reaching the maximum desired operating temperature of 38 ℃. In the bottom of the enclosure, the tool plate was placed with the composite facing the outside of the enclosure, exposing it to the temperatures of the oven. The tool plate was 63.5 mm thick borosilicate glass, which was chosen for its low ultrasonic attenuation and moderate thermal conductivity. A thin layer of ultrasonic couplant was placed on the tool plate. The transducer sent and received ultrasonic waves through the tool plate into the composite. A MISTRAS® Remote UT System performed all wave generation, analog to digital conversion, and data acquisition and processing. The transducer was connected directly to the Remote UT System via a high-temperature BNC cable (CD International, RG-316). Polyimide insulated copper wire was used to connect the scanner to a 2-axis motor drive, which was connected to the Remote UT System. The motor drive and Remote UT System were located outside the industrial oven. A diagram of the ultrasonic system is shown in Figure 1. Figure 1: Diagram of ultrasonic in-situ defect detection system. In this study, a porosity gradient was introduced into the carbon fiber reinforced polymer (CFRP) composite through a misfit of the part and caul plate. A 24-ply quasi-isotropic ([0/90, ±45]12S) composite panel was laid up using Newport® AS4C-M/NB321 out-of-autoclave (OOA) plain weave (PW) prepreg (42% resin content, 195 g/m2). The first 16 plies were 203 mm × 203 mm. Ply drops were incorporated into the panel by decreasing the length of plies 17-24. The sizes of each ply are included in Table 1. All plies were centered along their length (x-axis) creating a trapezoidal type cross-section. Table 1: Ply sizes Plies Length (mm) Width (mm) 1-16 203 203 17-18 102 203 19-20 85 203 21-22 68 203 23-24 51 203 A 15-5 stainless steel caul plate (Size: 203 × 203 × 1.2 mm) was placed on the laminate. The composite and caul plate were vacuum bagged to the tool plate. Per the product datasheet, Newport 321 can be cured between 121 °C and 149 °C, depending on service temperature, with a hold for 90-120 minutes. Based on prior thermal testing of the cooling enclosure, the desired composite temperature cycle could be attained when the air temperature of the oven was ramped to 160 °C at a rate of 1.7 °C/min with a 3 hour hold. The extended hold was not necessary to cure the composite, but did allow for additional scans at the cure temperature during preliminary testing. The composite panel was under vacuum pressure for the entire cure cycle. Under vacuum, the caul plate deformed causing high and low pressure regions. The low-pressure regions formed high porosity in the composite part. The ultrasonic data collected showed that the inspection system was able to monitor the evolution of porosity within the composite throughout the cure cycle. Fifty scans of a 203 mm × 51 mm (8 in. × 2 in.) area of the composite were completed throughout the cure cycle. The scan speed was set to 43 mm/s in the x-direction and 36 mm/s in the y-direction, with a 1.0 mm/pixel resolution in both directions. Each scan took approximately five minutes to complete. Figure 2 shows C-scan amplitude data (top view) from one scan during the cure cycle. The color map indicates the maximum amplitude (%) measured with a time gate that contains reflections from the back surface (furthest from the transducer in contact with the caul plate) of the composite. Because porosity in the composite increases the ultrasonic attenuation in the composite part, a higher amplitude (red) indicates low porosity and a lower amplitude (blue) indicates high porosity. The regions where the caul plate was applying increased pressure (center and ends of the panel) resulted in reduced porosity, whereas the ply drop regions had reduced pressure and thus had higher porosity. Figure 2: Amplitude C-scan (top view) of OOA composite from one scan during the 160 °C temperature hold. Higher amplitude (red) indicates low porosity. Lower amplitude (blue) indicates high porosity. A B-scan is a two-dimensional image plotting the ultrasonic signals from a single y-position at every x-location of the composite panel. The travel time (μs) of the ultrasonic wave (representing the through-thickness location) is plotted along the y-axis, and the ultrasonic wave signal is represented as a contour map. Based on the B-scan data, the location of the defects with respect to the composite thickness was able to be determined. The ply drop regions had high porosity near the front (tool plate) surface of the composite (Figure 3). Figure 3: B-scan (cross-section view) of OOA composite from one scan during the 160 °C temperature hold. Using the data obtained from amplitude C-scans and B-scans throughout the cure cycle, the high and low porosity regions within the composite laminate were detected and localized with high spatial resolution. This paper will discuss the evolution of porosity content in the OOA composite during cure. OOA tests aided the transition of this system to an autoclave, which is the primary method of curing aerospace-grade thermoset composites.

Tyler B. Hudson↗

DOE OSTI2024

Nanoscale elemental and morphological imaging of nitrogen-fixing cyanobacteria

Nitrogen-fixing cyanobacteria bind atmospheric nitrogen and carbon dioxide using sunlight. This experimental study focused on a laboratory-based model system, Anabaena sp., in nitrogen-depleted culture. When combined nitrogen is scarce, the filamentous prokaryotes reconcile photosynthesis and nitrogen fixation by cellular differentiation into heterocysts. To better understand the influence of micronutrients on cellular function, 2D and 3D synchrotron X-ray fluorescence mappings were acquired from whole biological cells in their frozen-hydrated state at the Bionanoprobe, Advanced Photon Source. To study elemental homeostasis within these chain-like organisms, biologically relevant elements were mapped using X-ray fluorescence spectroscopy and energy-dispersive X-ray microanalysis. Higher levels of cytosolic K + , Ca 2+ , and Fe 2+ were measured in the heterocyst than in adjacent vegetative cells, supporting the notion of elevated micronutrient demand. P-rich clusters, identified as polyphosphate bodies involved in nutrient storage, metal detoxification, and osmotic regulation, were consistently co-localized with K + and occasionally sequestered Mg 2+ , Ca 2+ , Fe 2+ , and Mn 2+ ions. Machine-learning-based k-mean clustering revealed that P/K clusters were associated with either Fe or Ca, with Fe and Ca clusters also occurring individually. In accordance with XRF nanotomography, distinct P/K-containing clusters close to the cellular envelope were surrounded by larger Ca-rich clusters. The transition metal Fe, which is a part of nitrogenase enzyme, was detected as irregularly shaped clusters. The elemental composition and cellular morphology of diazotrophic Anabaena sp. was visualized by multimodal imaging using atomic force microscopy, scanning electron microscopy, and fluorescence microscopy. This paper discusses the first experimental results obtained with a combined in-line optical and X-ray fluorescence microscope at the Bionanoprobe.

Anabaena sp↗

NASA NTRS2021

Understanding the Space Weathering of Mercury Through Laboratory Experiments

Introduction: Airless surfaces across the solar system are continually modified by energetic particles from solar wind and micrometeoroid bombardment [1,2]. This process is known as space weathering, and it alters the chemical, microstructural, and optical properties of surface regoliths on airless bodies, including Mercury. On the Moon and S-type asteroids, the reflectance spectral signatures of space weathering include reddening (increasing reflectance with increasing wavelength), darkening (lowering of reflectance), and the attenuation of characteristic absorption bands [2]. Such spectral changes are driven by the production of Fe-bearing nanoparticles(npFe) through both solar wind irradiation and micrometeoroid bombardment. While our understanding of space weathering for the Moon and near-Earth S-types asteroids is advanced, insight into how these processes operate on other planetary bodies is limited. In particular, Mercury experiences a uniquely intense space weathering environment than planetary counterparts at 1 AU, including a moreintense solar wind flux and higher velocity micrometeoroid impacts [4]. Additionally, Mercury has a surface composition unique in the inner solar system, including regions of the surface with very low albedo known as the low reflectance material (LRM), which is enriched in carbon, likely graphite, up to 4wt.% [5].In addition, the concentration of Fe across Mercury’s surface islow (<2 wt.%) compared to the Moonor S-type asteroids asteroids[6]. Our understanding of the effects of space weathering on C-rich and Fe-poor phases is limited. Since Fe plays a critical role inthe development of space weathering characteristicson other airless surfaces(e.g., npFe), its limited availability may significantly affect the development of space weathering features in Mercury surface materials. We can simulate space weathering processes in the laboratory to explore their effects on the microstructural, chemical, and spectral characteristics of Mercury surface materials[7]. Here we used pulsed laser irradiation to simulate the short duration, high-temperature events associated with micrometeoroid impacts. We performed coordinated analyses including reflectance spectroscopy and electron microscopy to investigate the spectral, chemical, and microstructural changes in these mercurian analog samples. Methods: For these experiments, we usedforsteritic olivine with varying FeOcontents, a mineral phase proposed to be abundant on the surface of Mercury. We mixed each sample with graphite to simulate LRM regions of the surface. Wesynthesized the olivinesamplesat 1-bar at NASA’s Johnson Space Centerand prepared pressed powder pellets for laser irradiation [8].We prepared three samples, each with a base layer of olivineto maintain structural integrity and topped witha surface layer containing the graphite-olivine mixture: 1) Sample SC-001 San Carlos olivine(Fo90.91),2)Sample F-S-002 with0.05 wt.% FeO olivine, and 3) F-T-004 with 0.53 wt.% FeO olivine. Each sample was mixed with 5 wt.% powdered graphite and had grain sizes ranging from 45to 125μm. We irradiated each sample usinga pulsed Nd-YAG laser, (l=1064 nm, ~6 ns pulse duration, energy of 48 mJ/pulse) while undervacuumat Northern Arizona University. The laser was rastered1x and then 5x over the surfaceof each sample to simulate progressive space weathering. We collected in situreflectance spectra from the samples after each laser pulse witha Nicolet IS50 Fourier-Transform Infrared spectrometer (lfrom 0.65-2.5 μm). We used an FEI Nova NanoSEM200scanning electron microscope (SEM) and a Hitachi TM4000 Plus benchtop SEM at Purdue University to image the surface morphology and topography of the samples. We extracted thin sections for analysis in the transmission electron microscope(TEM)using the FEI Helios NanoLab 660 focused ion beam (FIB) SEM at the University of Arizona.We performed analysis of the microstructural and chemical characteristics of the samples using the 200 keV JEOL 2500 scanning TEM at Johnson Space Center. Reflectance Spectroscopy Results:Reflectance spectra for each sample are shown in Fig. 1.SC-001:The spectrum of the unirradiated sample exhibits a weak 1.0 μm absorption feature, associated with Fe2+in the olivine,and low overall reflectance (Fig. 1a). Thereflectance and the depth of the absorption band increases after 1x laser raster but are at their lowest after 5x laser rasters.F-T-004:The unirradiated sample has a blue-sloped spectrum with low reflectance without identifiable absorption features (Fig. 1b). With progressive laser irradiation, the sample reflectance increases and becomes strongly red-sloped.F-S-002:The unirradiated sample exhibits a dark, blue-slopedspectrum. The brightness of the sample increases significantly from <0.2average reflectance over >0.8 reflectance in the most irradiated sampleand thespectral slope also becomesslightly reddened (Fig. 1c). Microstructural and Chemical Analysis: Two primary alteration textures were observed in the samples exposed to simulated space weathering: 1) fluffy C-rich,and 2) vesiculated melt. The fluffy C-rich texture is composed oflow-densitydeposits distributed across the surface of the sample(Fig. 2A). Analysis of a FIB section extracted from a low-density C-rich region in sample SC-001 reveals multiple globule-type deposits, discrete from stacked graphite, likely produced via melting from the laser irradiation [9].The vesiculated melt textureis smooth and uniformly distributed across isolated regions of the sample surface. The vesicles measure up to 100s of nmin diameter. Analysis of a FIB section from this texture was extracted from sample F-T-004 reveals a layer of amorphous melt material, close to 100 nm thick and uniform across the FIB section (Fig. 2B). Isolated regions of this melt layer contain small nanoparticles, <5 nm in diameter. Chemical analysis through energy dispersive X-ray spectroscopy reveals the composition of this layer is enriched in Si and depleted in Mg and O compared to the underlying sample. Implications for Space Weathering on Mercury: Previous experiments simulating space weathering of Mercury have showndarkening and reddening of spectra[7,10].However, our use of low-Fe materials and graphite to create a sample set more analogous to the mercurian surface. Our results indicate that sample composition plays a significant and important role in the space weathering of Mercury. In particular, our spectral data demonstrates a strong correlation between spectral slope, Fe content, and simulated space weathering. While the variation in FeO content between samples F-S-002 and F-T-004 is <0.6 wt.%, the spectra deviate from flat to strongly red-sloped(F-T-004). This reddeningmay be linked to the presence of very small nanoparticles observed in the melt textures extracted from sample F-T-004. For the SC-001 sample, the fluffy C-rich textures may be developed by the amalgamation of small graphite particles into these unique morphologies. Such observations indicate that space weathering on Mercury may result in both familiar and new microstructural and chemical characteristics. References: [1]Hapke B. (2001) J. Geophys. Res.-Planet.,106,10039–10073. [2]Pieters C.M. and Noble S.K. (2016) J. Geophys. Res-Planet., 121, 1865–1884. [3] Lucey P.G., and Riner, M.A. (2011) Icarus,212, 451-462.[4]CintalaM.J.(1992)J. Geophys. Res.-Planet.,97,947–973.[5]Klima R.L.et al.(2018)Geophys.Res.Letters, 45, 2945–2953. [6]Nittler L.R., et al. (2011) Science 333, 1847-1850.[7]Sasaki S. and Kurahashi E. (2004) Space weathering on Mercury, Adv.Space Res., 33, 2152-2155.[8] Vander KaadenK.E., et al. (2018) LPSCXLIX, Abstract 1230. [9] McGlaun M.L. et al. (2019) LPSCL, Abstract 2019. [10] TrangD.et al. (2018)LPSCXLIX,Abstract2083

M S Thompson↗

DOE OSTI2022

Development of Carbon Molecular Sieves Hollow Fiber Membranes based on Polybenzimidazole Doped with Polyprotic Acids with Superior H 2 /CO 2 Separation Properties (Final Report)

The goal of this project was to develop a highly efficient membrane-based process to capture CO 2 from coal-derived syngas with 95% CO 2 purity, achieving the cost of electricity (COE) 30% below the baseline capture approaches (i.e., Selexol process) when coupled with the advancement in other areas of the power generation facility. Our core approach is based on high-permeance hollow fiber membranes (HFMs) with superior H 2 /CO 2 separation properties at the syngas process conditions, which can then be further utilized to design membrane reactors for process intensification of H 2 production and purification and CO 2 capture. Three organizations with complementary skills collaborated to achieve the goal, including the University at Buffalo (UB), Los Alamos National Laboratory (LANL), and Trimeric Corporation (Trimeric). We formulated logical steps to bring the membrane technology from Technology Readiness Level (TRL) 3 (Experimental proof of concept) to TRL 4 (Laboratory scale validation in relevant environment). During the budget period (BP) 1, we screened various polymeric materials and identified polybenzimidazole doped with inorganic polyprotic acids as the desirable platform. The acid doping increases the H 2 /CO 2 selectivity, and the sequential carbonization increases H 2 permeability while retaining the high selectivity. By manipulating the acid type and doping level and the carbonization temperature, we demonstrated advanced carbon molecular sieving (CMS) materials with H 2 permeability of above 200 Barrer (1 Barrer = 10 -10 cm 3 (STP) cm cm -2 s -2 cmHg -1 ) and H 2 /CO 2 selectivity of above 40 at 200-300°C with simulated syngas containing CO and water vapor. For example, the PBI-(H 3 PO 4 ) 0.11 carbonized at 700 °C exhibits H 2 permeability of 200 Barrer and H 2 /CO 2 selectivity of 60 at 200 °C, and H 2 permeability of 240 Barrer and H 2 /CO 2 selectivity of 54 at 225 °C, which meets the targeted properties and surpasses Robeson’s upper bound. During the BP2, we focused on the conversion of the advanced CMS materials to stable HFMs. Membranes with H 2 permeance of 1,090 GPU (1 GPU = 10 -6 cm 3 (STP) cm -2 s -2 cmHg -1 ) and H 2 /CO 2 selectivity of 57 at 300 °C were successfully fabricated. The effects of temperature, gas compositions, pressure, and time on the separation properties were systematically investigated. Pencil modules were continuously evaluated for 219 h (dry pure gas) and 669 h (dry simulated syngas) and showed initial decline in permeance and increased H 2 /CO 2 selectivity over time, ultimately achieving a steady state stable value, indicating that the ageing phenomena in the nanoporous structures of the membranes during the test. Membrane reactors were fabricated based on the CMS membranes and evaluated for water-gas shift (WGS) reaction. The use of membranes slightly improves the conversion of the CO. However, parametric tests of the membrane reactors at various temperatures and flow rates need to be conducted, as well as the membranes with improved separation performance. We performed a sensitivity analysis on the impact of H 2 /CO 2 selectivity on the COE based on a hybrid process of a membrane unit and cryogenic unit developed by Membrane Technology and Research, Inc. (MTR). Three H 2 /CO 2 selectivity (40, 60, and 15) cases were developed and compared with the baseline capture process (Case B5B) provided by the DOE report. Increasing the membrane H 2 /CO 2 selectivity reduces COE, but the rate of the decrease of COE also diminishes. The COE values for H 2 /CO 2 selectivities of 40 and 60 were nearly the same. As the H 2 /CO 2 selectivity increases, the inert recycling decreases, leading to smaller equipment, less auxiliary power requirements, and less heating, cooling, and refrigeration duty. The refrigeration system used to liquefy the CO 2 is the most expensive piece of equipment and consumes the most electricity within the CO 2 capture process. Increasing the CO 2 concentration in the recycle stream would improve the economics of the process by reducing the refrigeration duty requirement of the unit and also allow for higher liquefaction temperatures. The high H 2 -selective membrane developed by our team may be applicable in other separation processes where lower pressure H 2 retains value. Typically, hydrogen retains its pressure when it is separated from syngas components. Residual components may be used as low-quality fuel and then vented to the atmosphere. Applications might include control of H 2 /CO ratios or mitigation of the water gas shift reaction by CO 2 recycling to the feed of a gasifier or steam methane reformer. To summarize, we have developed industrial HFMs with the best H 2 /CO 2 separation performance reported in the literature. The membranes demonstrate stability with simulated syngas and show great potential for membrane reactors for WGS reactions, lowering the cost of blue H 2 production.

20 FOSSIL-FUELED POWER PLANTS↗

DOE OSTI2024

EPCAPE-PT-LANL Measurements: Humidified Cavity Attenuated Phase Shift Spectroscopy

Coastal cities offer a unique environment for studying aerosol-cloud interactions and the effects of urban emissions on cloud properties. As part of the Eastern Pacific Cloud Aerosol Precipitation Experiment (EPCAPE), the Partitioning Thrust by Los Alamos National Laboratory (EPCAPE-PT-LANL) was conducted. Our campaign focused on measuring the optical and chemical properties of aerosols and their interactions within marine stratocumulus clouds in La Jolla, California. EPCAPE-PT-LANL enhances the primary goals of EPCAPE through innovative observations of vapor-phase transitions between aerosols and cloud droplets, the impact of black carbon on aerosol-cloud dynamics, and the effects of cloud processing on aerosol optical properties. Instrument: Humidified Cavity Attenuated Phase Shift Particulate Matter Single Scattering Albedo (H-CAPS-PMSSA, Aerodyne Inc) Data Notes: The scattering truncation correction was not applied to Bsca. The Bext needs no correction. Files: data_10sec_CAPS.csv, data_10min_CAPS.csv Header: - Bext_wet_CAPS_450nm[1/Mm]: Wet aerosol extinction coefficient measured at 450 nm by the CAPS, in inverse megameters (Mm⁻¹). - Bsca_wet_CAPS_450nm[1/Mm]: Wet aerosol scattering coefficient measured at 450 nm by the CAPS, in inverse megameters (Mm⁻¹). - Temp_wet_CAPS[K]: Temperature inside the wet CAPS measurement chamber, in Kelvin. - Bext_dry_CAPS_450nm[1/Mm]: Dry aerosol extinction coefficient measured at 450 nm by the CAPS, in inverse megameters (Mm⁻¹). - Bsca_dry_CAPS_450nm[1/Mm]: Dry aerosol scattering coefficient measured at 450 nm by the CAPS, in inverse megameters (Mm⁻¹). - Temp_dry_CAPS[K]: Temperature inside the dry CAPS measurement chamber, in Kelvin. - Wet_RH_preCAPS[%]: Relative humidity before entering the wet CAPS, in percent. - Wet_RH_postCAPS[%]: Relative humidity after exiting the wet CAPS, in percent. - Humidifier_RH_CAPS[%]: Relative humidity inside the humidifier used with the CAPS, in percent. - dualCAPS_inlet_RH[%]: Relative humidity at the inlet of the dual (wet/dry) CAPS setup, in percent. - Wet_Temp_preCAPS[C]: Temperature before entering the wet CAPS, in degrees Celsius. - Wet_Temp_postCAPS[C]: Temperature after exiting the wet CAPS, in degrees Celsius. - Humidifier_Temp[C]: Temperature inside the humidifier used with the CAPS, in degrees Celsius. - dualCAPS_inlet_Temp[C]: Temperature at the inlet of the dual (wet/dry) CAPS setup, in degrees Celsius. - Zero_dry_CAPS: 1 is a calibration check for the dry CAPS to ensure zero reading under filter air conditions. - Zero_wet_CAPS: 1 is a calibration check for the wet CAPS to ensure zero reading under filter air conditions. - CVI_Flag[bool]: A boolean flag indicating whether the Counterflow Virtual Impactor (CVI) was active (true) or inactive (false) during the measurement.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Results of a Geant4 benchmarking study for bio‐medical applications, performed with the G4‐Med system

Geant4, a Monte Carlo Simulation Toolkit extensively used in bio-medical physics, is in continuous evolution to include newest research findings to improve its accuracy and to respond to the evolving needs of a very diverse user community. In 2014, the G4-Med benchmarking system was born from the effort of the Geant4 Medical Simulation Benchmarking Group, to benchmark and monitor the evolution of Geant4 for medical physics applications. The G4-Med system was first described in our Medical Physics Special Report published in 2021. Results of the tests were reported for Geant4 10.5. Purpose In this work, we describe the evolution of the G4-Med benchmarking system. Methods The G4-Med benchmarking suite currently includes 23 tests, which benchmark Geant4 from the calculation of basic physical quantities to the simulation of more clinically relevant set-ups. New tests concern the benchmarking of Geant4-DNA physics and chemistry components for regression testing purposes, dosimetry for brachytherapy with a 125 I source, dosimetry for external x-ray and electron FLASH radiotherapy, experimental microdosimetry for proton therapy, and in vivo PET for carbon and oxygen beams. Regression testing has been performed between Geant4 10.5 and 11.1. Finally, a simple Geant4 simulation has been developed and used to compare Geant4 EM physics constructors and physics lists in terms of execution times. Results In summary, our EM tests show that the parameters of the multiple scattering in the Geant4 EM constructor G4EmStandardPhysics_option3 in Geant4 11.1, while improving the modeling of the electron backscattering in high atomic number targets, are not adequate for dosimetry for clinical x-ray and electron beams. Therefore, these parameters have been reverted back to those of Geant4 10.5 in Geant4 11.2.1. The x-ray radiotherapy test shows significant differences in the modeling of the bremsstrahlung process, especially between G4EmPenelopePhysics and the other constructors under study (G4EmLivermorePhysics, G4EmStandardPhysics_option3, and G4EmStandardPhysics_option4). These differences will be studied in an in-depth investigation within our Group. Improvement in Geant4 11.1 has been observed for the modeling of the proton and carbon ion Bragg peak with energies of clinical interest, thanks to the adoption of ICRU90 to calculate the low energy proton stopping powers in water and of the Linhard–Sorensen ion model, available in Geant4 since version 11.0. Nuclear fragmentation tests of interest for carbon ion therapy show differences between Geant4 10.5 and 11.1 in terms of fragment yields. In particular, a higher production of boron fragments is observed with Geant4 11.1, leading to a better agreement with reference data for this fragment. Conclusions Based on the overall results of our tests, we recommend to use G4EmStandardPhysics_option4 as EM constructor and QGSP_BIC_HP with G4EmStandardPhysics_option4, for hadrontherapy applications. The Geant4-DNA physics lists report differences in modeling electron interactions in water, however, the tests have a pure regression testing purpose so no recommendation can be formulated.

62 RADIOLOGY AND NUCLEAR MEDICINE↗