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DOE OSTI2024

Anti-reflection coating with mullite and Duroid for large-diameter cryogenic sapphire and alumina optics

We developed a broadband two-layer anti-reflection (AR) coating for use on a sapphire half-wave plate (HWP) and an alumina infrared (IR) filter for the cosmic microwave background (CMB) polarimetry. Measuring the faint CMB B-mode signals requires maximizing the number of photons reaching the detectors and minimizing spurious polarization due to reflection with an off-axis incident angle. Sapphire and alumina have high refractive indices of 3.1 and are highly reflective without an AR coating. This paper presents the design, fabrication, quality control, and measured performance of an AR coating using thermally sprayed mullite and Duroid 5880LZ. This technology enables large optical elements with diameters of 600 mm. We also present a thermography-based nondestructive quality control technique, which is key to assuring good adhesion and preventing delamination when thermal cycling. We demonstrate the average reflectance of about 2.6% (0.9%) for two observing bands centered at 90/150 (220/280) GHz. At room temperature, the average transmittance of a 105 mm square test sample at 220/280 GHz is 83%, and it will increase to 90% at 100 K, attributed to reduced absorption losses. Therefore, our developed layering technique has proved effective for 220/280 GHz applications, particularly in addressing dielectric loss concerns. This AR coating technology has been deployed in the cryogenic HWP and IR filters of the Simons Array and the Simons observatory experiments and applies to future experiments such as CMB-S4.

Sakaguri, Kana (ORCID:0000000156678118)↗

DOE OSTI2021

Dataset for "Development of heterogeneous ice nucleation rate coefficient parameterizations from ambient measurements"

Ice nucleating particles (INPs) are a rare subset of particles that can have an outsized impact relative to their prevalence. To simulate INP variability, models require parameterizations for the most important sources of INPs. Most parameterizations in the literature were developed from laboratory experiments that used proxies for ambient particles. Whether these laboratory models effectively represent ambient aerosol is still not well understood and parameterizations developed from field measurements may be more atmospherically relevant. Expanding on previous work in which we used an ice chamber and an single particle mass spectrometer (SPMS) to characterize INP composition, we use the combined measurements to calculate heterogeneous ice nucleation rate coefficients for ambient particles. We find good agreement between our results for dust and sea spray aerosol with previous results. We also determine the relative contribution of each measurement to the total measurement uncertainty using a Monte Carlo approach and find that the biggest source of uncertainty is the sampling efficiency of the SPMS.

Cornwell, Gavin C↗

DOE OSTI2024

Reformulation of dicamba herbicide: Impacts on offsite transport and soybean damage

Abstract The herbicide dicamba (3,6‐dichloro‐2‐methoxybenzoic acid) is commonly used to control broadleaf weeds in soybeans. Dicamba, however, is susceptible to volatilization and drift, thereby causing significant plant damage to nontarget crops downwind. Dicamba was reformulated to reduce volatility and off‐target movement. The effectiveness of the dicamba reformulation was assessed by quantifying dicamba emissions following spray application and investigated how meteorological factors influenced the off‐target movement. The experiments were conducted at the University of Minnesota Agricultural Experiment Station (UMORE Park) during the growing season of 2018, 2019, 2021, and 2022. Multiple high‐flow polyurethane foam air samplers were used to measure dicamba concentrations downwind from a 4‐ha soybean field sprayed with dicamba. Dicamba emissions were estimated using backward Lagrangian modeling constrained by the air sample observations. The results indicate that dicamba emissions and downwind transport were significant for several days following application. Further, non‐traited soybeans located within 15–45 m showed substantial dicamba‐related damage. In warmer, drier seasons, increased dicamba emissions caused more severe damage to downwind soybeans, likely worsened by drought stress preventing recovery. Favorable atmospheric conditions that reduced potential drift can be difficult to achieve in terms of the typical weather experienced over agricultural sites in the Upper Midwest. These results indicate that the dicamba reformulation has not adequately prevented significant post‐spray volatilization losses and downwind transport.

Agriculture↗

DOE OSTI2023

Environmental barrier coatings on enhanced roughness SiC: Effect of plasma spraying conditions on properties and performance

Environmental barrier coatings for SiC/SiC composites are limited by the melting temperature of the Si bond coating near 1414°C. Systems without a bond coating may be required for future turbine applications where material temperatures go beyond 1350 °C. Here, enhanced roughness SiC substrates were developed to assess coating adhesion without the bond coating. Two EBCs with different YbMS/YbDS ratios were produced via modified plasma spraying parameters. Coating microstructure, thermal expansion, and modulus were measured for comparison of coating properties. Cyclic steam exposures at 1350°C were performed to assess oxidation resistance. The EBC with increased concentration of Yb 2 SiO 5 secondary phase displayed a higher CTE, which is typically expected to decrease adhesion lifetimes due to an increase in stress upon thermal cycling. Yet, the EBC chemistry with increased Yb 2 SiO 5 concentration was able to experience longer cycling times prior to coating delamination, likely due to interface interactions with the substrate and the thermally grown oxide.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Extended use of face masks during the COVID-19 pandemic - Thermal conditioning and spray-on surface disinfection

The current COVID-19 pandemic has resulted in globally constrained supplies for face masks and personal protective equipment (PPE). Production capacity is limited in many countries and the future course of the pandemic will likely continue with shortages for high quality masks and PPE in the foreseeable future. Therefore, expectations are that mask reuse, extended wear and similar approaches will enhance the availability of personal protective measures. Repeated thermal disinfection could be an important option and likely easier implemented in some situations, at least on the small scale, than UV illumination, irradiation or hydrogen peroxide vapor exposure. In this paper, an overview on thermal responses and ongoing filtration performance of multiple face mask types is provided. Most masks have adequate material properties to survive a few cycles (i.e. 30 min disinfection steps) of thermal exposure in the 75°C regime. Some are more easily affected, as seen by the fusing of plastic liner or warping, given that preferred conditioning temperatures are near the softening point for some of the plastics and fibers used in these masks. Hence adequate temperature control is equally important. As guidance, disinfectants sprayed via dilute solutions maintain a surface presence over extended time at 25 and 37°C. Some spray-on alcohol-based solutions containing disinfectants were gently applied to the top surface of masks. Neither moderate thermal aging (less than 24 h at 80 and 95°C) nor gentle application of surface disinfectant sprays resulted in measurable loss of mask filter performance. Subject to bio-medical concurrence (additional checks for virus kill efficiency) and the use of low risk non-toxic disinfectants, such strategies, either individually or combined, by offering additional anti-viral properties or short term refreshing, may complement reuse options of professional masks or the now ubiquitous custom-made face masks with their often unknown filtration effectiveness.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Linking Internal Dosimetries of the Propyl Metabolic Series in Rats and Humans Using Physiologically Based Pharmacokinetic (PBPK) Modeling

The metabolic series approach has successfully linked internal dosimetries of metabolically related compounds reducing cost and time for chemical risk assessments. Here, we developed a physiologically based pharmacokinetic (PBPK) model in rats and humans for the propyl metabolic series including propyl acetate, 1-propanol, propionaldehyde, and propionic acid. Manufacturers use these compounds as organic solvents and intermediates during chemical synthesis. Public exposures can occur through using consumer products containing propyl compounds like cosmetics, aerosol sprays, or foods. To develop the PBPK model, we measured in vitro metabolism of propyl acetate in blood and liver S9 fractions. We measured concentrations of propyl compounds in blood following intravenous (iv) infusion of 13C-propanol or 13C-propionic acid and closed chamber inhalation exposures to propyl acetate or propanol in rats. Using these studies and other published data, we modified an existing PBPK model for the butyl metabolic series to simulate time course concentrations of propyl compounds in rats and humans. Consistent with measured in vitro and in vivo data, the optimized propyl series model predicts rapid clearance of propyl acetate, higher concentrations of propanol in blood from propyl acetate inhalation compared to propanol inhalation, and low concentrations of propionic acid in blood from exposures to propyl acetate or propanol. Regulators can use this model as a tool for propyl compound risk assessment by linking internal dosimetries under various exposure scenarios.

Smith, Jordan N.↗

DOE OSTI2025

Real-Time Screening for Uranium Enrichment by Paper Spray Ionization Mass Spectrometry for Field Applications

A rapid isotope ratio screening technique for uranium enrichment is demonstrated by utilizing paper spray ionization (PSI) high-resolution mass spectrometry (HRMS). Measurements were conducted using an ambient ionization mass spectrometer coupled to a custom-made JEOL PSI attachment apparatus, with de minimus sample preparation requirements. The current method detection limit for individual isotopes (e.g., 235 U and 238 U) is approximately 50 pg, with subsequent optimization expected to further improve U isotopic sensitivity. The PSI analytical method described herein can support rapid analysis (both in-field and in-lab screening) of isotopes-of-interest, as demonstrated by empirical differentiation of depleted uranium (DU) and low enriched uranium (LEU) analytical aliquots. Furthermore, this analytical workflow holds promise for applications in nuclear forensics, international nuclear safeguards, and nonproliferation missions.

Anions↗

DOE OSTI2023

Cast or Additively Manufactured Coils with End Turn Enhanced Heat Transfer Surfaces for Spray or Jet Cooling

Cast or additively manufactured coils present a new opportunity for creativity in thermal management of electric machines. Improvements to the heat transfer of spray or jet cooling of coil end turns through the incorporation of pins or enhanced heat transfer surfaces in the cast end turn surfaces is explored. The thermal response of cast copper half-turns is measured for a range of spray/jet volumetric flow rates and ohmic loss heat fluxes. A significant reduction, ~30%, in the steady state temperature and increased spray cooling heat transfer coefficients was experimentally measured when the pins or enhanced heat transfer surfaces are incorporated.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2026

Comparative Study of Zinc Cold-Spray Coating and Pre-treatments for Magnesium Alloys

Magnesium (Mg) alloys are appealing for automotive lightweighting owing to their high specific strength. However, their susceptibility to corrosion in harsh environments remains a major challenge. Conventional industrial pre-treatment coatings, including zinc phosphate, chromate conversion, and non-chromate conversion, often exhibit discontinuities and microcracks, leading to localized corrosion near fasteners and parting lines. Here, this study investigates cold-sprayed zinc (Zn) coatings as a novel pre-treatment alternative for high-pressure die cast (HPDC) AZ91 Mg alloys, demonstrating significant improvements in wear and corrosion performance. Cold spray produces uniform and robust coatings, reducing wear rate by over 50% and reducing corrosion rate by over 99.3%, as measured by evolved hydrogen release, compared to traditional pre-treatments. Multimodal corrosion testing reveals that Zn cold-spray coatings form a protective layer during exposure, minimizing general and filiform corrosion, and exhibiting corrosion potential (E corr ) that is nobler by ~ 400 mV than the surfaces of both pre-treated and uncoated AZ91. Scalability of cold spray for selective application around multimaterial joints further strengthens their industrial viability. This work establishes Zn cold-spray coatings as highly effective pre-treatment solutions for the advancement of corrosion resistant Mg alloy components in automotive applications.

multimodal corrosion↗

DOE OSTI2020

Graphene K‐Tape Meshes for Densely Distributed Human Motion Monitoring

Abstract Wearable sensors that measure parameters associated with physical activity and bodily motions have been regarded as an indispensable tool for assessing personal wellness. Recent advances in nanocomposite strain sensors have been successfully used for monitoring skin strains and other strain‐derived physiological parameters. This study complements the existing body of work and presents a flexible, self‐adhering, fabric‐based wearable sensor for measuring skin strains and human motions. Graphene nanosheet thin films are directly spray‐coated onto kinesiology tape (K‐Tape) to obtain a self‐adhering strain sensor of high sensitivity and linearity. Their stable sensing performance and high repeatability are verified, while human subject tests confirm that they adequately capture muscle engagement during functional movements. In addition, densely distributed strain monitoring can be achieved using an electrical impedance tomography measurement approach and algorithm. Spatial strain sensing is successfully demonstrated using a single strip of piezoresistive K‐Tape, as well as when a K‐Tape network or mesh pattern is formed. The results show promise for using graphene K‐Tape meshes to measure how specific major muscle groups engage during different physical activities.

Lin, Yun‐An↗

DOE OSTI2022

Liquid Core Detection and Strand Condition Monitoring in a Continuous Caster Using Optical Fiber

Real-time monitoring of the liquid core position during the continuous casting of steel has been demonstrated using low-cost distributed optical-fiber-based strain sensors. These sensors were installed on the containment roll support structures in the segments of a production continuous caster to detect the position of the solid–liquid interface and monitor the strand condition during the continuous casting. Distributed Fiber Bragg Grating sensors (FBGs) were used in this work to monitor strain at six roll positions in the caster. The sensor performance was first validated by comparing optical strain measurements with conventional strain gauge measurements in the lab. Next, optical strain measurements were performed on an isolated caster segment in a segment maintenance facility using hydraulic jacks to simulate the presence of a liquid core under the roll. Finally, the sensors were evaluated during caster operation. The sensors successfully detected the load increase associated with the presence of a liquid core under each instrumented roll location. Incidents of bulging and roll eccentricity were also detected using frequency analysis of the optical strain signal. The liquid core position measurements were compared using predictions from computer models (digital twins) in use at the production site. The measurements were in good agreement with the model predictions, with a few exceptions. Under certain transient caster operating conditions, such as spraying practice changes and SEN exchanges, the model predictions deviated slightly from the liquid core position determined from strain measurements.

47 OTHER INSTRUMENTATION↗

DOE OSTI2026

Probing early parton emissions in heavy ion collisions using the Lund jet plane

In scattering experiments, high-virtuality partons, i.e., quarks and gluons, initiate a series of additional parton emissions to create collimated sprays of particles known as jets. This paper presents a measurement of the Lund jet plane (LJP) of high-energy jets produced in lead-lead (PbPb) collisions and compares the results to data for proton-proton (pp) collisions. The LJP is formed by iteratively declustering the constituents of a jet into consecutive emissions and recording the relative transverse momentum ($k_\mathrm{T}$) and angle of the resulting emission with respect to its emitter. The angular distributions of two different $k_\mathrm{T}$ slices of the LJP are investigated for jets with radius parameter of 0.4 and transverse momentum in the range 200$-$1000 GeV. The PbPb (pp) data were recorded by the CMS experiment in 2018 (2017) and correspond to an integrated luminosity of 1.7 nb$^{-1}$ (301 pb$^{-1}$) at a nucleon-nucleon center-of-mass energy of 5.02 TeV. The measurement was designed to test whether the earliest jet emissions are produced before the formation of the quark-gluon plasma (QGP) in PbPb collisions. Within the experimental uncertainties, no significant difference is observed between the angular distribution of high-$k_\mathrm{T}$ emissions in \pp and PbPb collisions, which is consistent with these emissions occurring early in the jet evolution, before substantial interaction with the QGP.

Belyaev, Andrey [Yerevan Phys. Inst.] (ORCID:00000↗

DOE OSTI2021

Spray and combustion characteristics of butanol-diesel and hexanol-diesel blends under high-altitude conditions

Due to their excellent fuel properties, butanol and hexanol are considered as two promising renewable fuels for diesel engine applications. The objective of this work is to investigate and compare the spray and combustion characteristics of butanol-diesel and hexanol-diesel blends under high-altitude conditions. A constant volume combustion chamber was used to provide the desired environment. Experiments were conducted under various ambient temperatures ranging from 800 K to 1200 K and various ambient densities ranging from 11 kg/m3 to 15 kg/m3. Fuel blends with 20% blend ratio (B20 and H20) and neat diesel were used as test fuels. The spray and combustion characteristics of the test fuels were analyzed using measured liquid penetration length, ignition delay, combustion duration, flame lift-off length (FLoL), and spatially integrated natural luminosity (SINL). Here the results revealed that B20 and H20 had shorter liquid penetration length than diesel under low ambient temperature and density conditions due to their higher volatility. The blended fuels showed significantly longer ignition delay than diesel under low ambient temperature conditions, but it could be overcome by increasing the ambient temperature. Adding butanol and hexanol into diesel both extended FLoL especially under low ambient temperature and density conditions, but the effects of hexanol was less dramatic compared to butanol due to its lower latent heat of vaporization and higher chemical reactivity. Both B20 and H20 showed lower SINL than diesel under any conditions, indicating their ability of reducing soot emissions. However, no apparent differences could be found between these two fuels until the ambient temperature dropped to 800 K.

42 ENGINEERING↗

DOE OSTI2020

Collaborative investigation of the internal flow and near-nozzle flow of an eight-hole gasoline injector (Engine Combustion Network Spray G)

The internal details of fuel injectors have a profound impact on the emissions from gasoline direct injection engines. However, the impact of injector design features is not currently understood, due to the difficulty in observing and modeling internal injector flows. Gasoline direct injection flows involve moving geometry, flash boiling, and high levels of turbulent two-phase mixing. In order to better simulate these injectors, five different modeling approaches have been employed to study the engine combustion network Spray G injector. Here these simulation results have been compared to experimental measurements obtained, among other techniques, with X-ray diagnostics, allowing the predictions to be evaluated and critiqued. The ability of the models to predict mass flow rate through the injector is confirmed, but other features of the predictions vary in their accuracy. The prediction of plume width and fuel mass distribution varies widely, with volume-of-fluid tending to overly concentrate the fuel. All the simulations, however, seem to struggle with predicting fuel dispersion and by inference, jet velocity. This shortcoming of the predictions suggests a need to improve Eulerian modeling of dense fuel jets.

ECN↗

DOE OSTI2020

Ejection of Dust From the Ocean as a Potential Source of Marine Ice Nucleating Particles

Oceans are, generally, relatively weak sources of ice nucleating particles (INPs). Thus, dust transported from terrestrial regions can dominate atmospheric INP concentrations even in remote marine regions. Studies of ocean-emitted INPs have focused upon sea spray aerosols containing biogenic species. Even though large concentrations of dust are transported over marine regions, resuspended dust has never been explicitly considered as another possible source of ocean-emitted INPs. Current models assume that deposited dust is not re-emitted from surface waters. Our laboratory studies of aerosol particles produced from coastal seawater and synthetic seawater doped with dust show that dust can indeed be ejected from water during bubble bursting. INP concentration measurements show these ejected dust particles retain ice nucleating activity. Doping synthetic seawater to simulate a strong dust deposition event produced INPs active at temperatures colder than -13 °C and INP concentrations one to two orders of magnitude greater than either lab sea spray or marine boundary layer measurements. The relevance of these laboratory findings is highlighted by single particle composition measurements along the Californian coast where at least 9% of dust particles were mixed with sea salt. Additionally, global modeling studies show that resuspension of dust from the ocean could exert the most impact over the Southern Ocean, where ocean-emitted INPs are thought to dominate atmospheric INP populations. More work characterizing the factors governing the resuspension of dust particles is required to understand the potential impact upon clouds.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Spatially-resolved soot evolution and statistics in high-pressure diesel spray flames using two-color pyrometry

Previous studies of diesel spray flames have focused on details of the sooting behavior mainly during the quasi-steady period, but few have considered the spatially-resolved transient evolution in combination with injection-to-injection variations. In this study, a 500-injection data set is utilized to investigate the temporal evolution of a spray flame during auto-ignition, the premixed burn phase, and the quasi-steady period. Spatially-resolved OH* chemiluminescence data provide ignition delay times and reaction zone locations. Two-color pyrom-etry with a vastly improved optical system is used to quantify spatially-resolved soot evolution and its statistical variations. The ambient thermodynamic con-ditions are slightly below those in modern diesel engines, resulting in longer lift-off lengths and lower overall soot production. Spatially, soot formation in the lift-off region is small, but appreciable soot forms in the jet core and jet head regions, while it oxidizes gradually on the jet periphery. Total soot mass profiles indicate that regions with larger local soot mass take longer to form, but are the first to oxidize. Probability distributions of soot mass in localized regions indicate that a few injections with high soot mass bias the average soot mass data towards higher values. Altogether, results show good agreement with previous studies employing different diagnostic techniques while providing statistical details of transient and localized soot behavior in high pressure diesel spray flames in support of the related modeling efforts.

09 BIOMASS FUELS↗

DOE OSTI2020

Sound Speed as a Candidate for Internal Temperature Monitoring During Solid Phase Processing of Materials

Internal temperature is an important parameter for understanding the solid phase processing (SPP) of materials and improving feedback control of these processes. Friction stir processes, shear assisted processing and extrusion (ShAPE ™ ), and ultrahigh velocity (UHV) cold spray are examples of such processes. Simple thermal models based on temperatures measured at the boundary of the deforming body cannot capture the dynamic nature of temperature generation within the deforming solid. One possibly way of understanding internal temperature is by measuring sound speed, which varies as a function of temperature for materials and directing ultrasonic wave propagation through selected material volumes of interest. In this project, longitudinal wave speed is estimated for aluminum 6061. Piezoelectric materials bonded to a specimen provided data from which longitudinal wave speed was estimated. A discussion evaluated the linear relationship of wave speed versus temperature and postulated how wave speed measurements could be used to estimate the internal temperature of selected material volumes for feedback during SPP of materials. Instrumentation, data and analysis, and a discussion are reviewed.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Elucidating Processes Controlling Arctic Atmospheric Aerosol Sources, Aging, and Mixing States (Final Report)

Atmospheric aerosols play critical roles in the Earth’s energy budget, directly by scattering or absorbing solar and terrestrial radiation and indirectly by serving as seeds (nuclei) for cloud droplet and ice crystal formation and by depositing on snow and ice surface, thereby changing the surface albedo. These effects are dependent on aerosol particle size and chemical composition and impact the hydrological cycle as well. This project provided single-particle size and chemical composition measurements across the entire annual cycle in the high Arctic and in the Alaskan Arctic during fall – winter, addressing the most significant gaps in Arctic aerosol observational data. These needs were based on recent rapid sea ice loss across the entire Arctic, as well as the major annual delays in sea ice freeze-up during fall in the Chukchi Sea and increased wintertime sea ice fracturing in the Beaufort Sea, both off the North Slope of Alaska. Two DOE Atmospheric Radiation Measurement (ARM) field campaigns were conducted for atmospheric aerosol sampling. The Aerosols during the Polar Utqiagvik Night (APUN – ‘snow on ground’ in Iñupiaq) ARM field campaign at Utqagivik, Alaska was conducted from Oct. 28 – Dec. 22, 2018. Aerosol sizing instrumentation and a single-particle mass spectrometer were successfully deployed for size-resolved number concentration measurements and measurements of individual particle size and chemical composition, respectively. These results show the influence of locally-produced sea spray aerosol, with high cloud-forming potential, due to delayed sea ice freeze-up in the fall. During the 2019‐2020 international Multidisciplinary drifting Observatory for the Study of Arctic Climate (MOSAiC) expedition, daily atmospheric aerosol particles were collected aboard the German icebreaker Polarstern in the Central Arctic from Nov. 2019 – Oct. 2020. Sea salt aerosol and marine organics were observed year-round during MOSAiC with varying morphologies and sources. These findings are important because most Arctic models do not include a sea spray aerosol source, despite this source increasing with declining sea ice extent. In addition to collecting new samples and data, this project also conducted further analysis of previously collected single-particle chemical composition measurements within the North Slope of Alaska oil fields and at Utqiaġvik, AK, during Aug. – Sep. 2015 and 2016 field campaigns. This work resulted in the discovery of chemical reactions of oil field combustion emissions occurring within fog droplets across the North Slope of Alaska and forming secondary aerosol, showing the impact of Arctic oil field emissions beyond black carbon aerosol and greenhouse gases. In addition, the distribution of chemical species across the aerosol population within the oil fields was quantified, using these data and a previously development framework. We also presented the first ambient evidence of the collision of two atmospheric particles resulting in formation of an organic-coated ammonium sulfate particle of marine origin, which has implications for cloud formation with declining sea ice extent. Overall, this project has elucidated connections between seawater biogeochemistry, resource extraction activities, atmospheric composition, clouds, and the energy budget of the Arctic region. The results of this project are expected to improve weather and sea ice forecasting for security and development in the Arctic and beyond.

54 ENVIRONMENTAL SCIENCES↗