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NASA NTRS2013

Sample Analysis at Mars Instrument Simulator

The Sample Analysis at Mars Instrument Simulator (SAMSIM) is a numerical model dedicated to plan and validate operations of the Sample Analysis at Mars (SAM) instrument on the surface of Mars. The SAM instrument suite, currently operating on the Mars Science Laboratory (MSL), is an analytical laboratory designed to investigate the chemical and isotopic composition of the atmosphere and volatiles extracted from solid samples. SAMSIM was developed using Matlab and Simulink libraries of MathWorks Inc. to provide MSL mission planners with accurate predictions of the instrument electrical, thermal, mechanical, and fluid responses to scripted commands. This tool is a first example of a multi-purpose, full-scale numerical modeling of a flight instrument with the purpose of supplementing or even eliminating entirely the need for a hardware engineer model during instrument development and operation. SAMSIM simulates the complex interactions that occur between the instrument Command and Data Handling unit (C&DH) and all subsystems during the execution of experiment sequences. A typical SAM experiment takes many hours to complete and involves hundreds of components. During the simulation, the electrical, mechanical, thermal, and gas dynamics states of each hardware component are accurately modeled and propagated within the simulation environment at faster than real time. This allows the simulation, in just a few minutes, of experiment sequences that takes many hours to execute on the real instrument. The SAMSIM model is divided into five distinct but interacting modules: software, mechanical, thermal, gas flow, and electrical modules. The software module simulates the instrument C&DH by executing a customized version of the instrument flight software in a Matlab environment. The inputs and outputs to this synthetic C&DH are mapped to virtual sensors and command lines that mimic in their structure and connectivity the layout of the instrument harnesses. This module executes, and thus validates, complex command scripts prior to their up-linking to the SAM instrument. As an output, this module generates synthetic data and message logs at a rate that is similar to the actual instrument.

Benna, Mehdi↗

DOE OSTI2017

Socially optimal replacement of conventional with electric vehicles for the US household fleet

In this study, a framework is proposed for minimizing the societal cost of replacing gas-powered household passenger cars with battery electric ones (BEVs). The societal cost consists of operational costs of heterogeneous driving patterns' cars, the government investments for charging deployment, and monetized environmental externalities. The optimization framework determines the timeframe needed for conventional vehicles to be replaced with BEVs. It also determines the BEVs driving range during the planning timeframe, as well as the density of public chargers deployed on a linear transportation network over time. We leverage datasets that represent U.S. household driving patterns, as well as the automobile and the energy markets, to apply the model. Results indicate that it takes 8 years for 80% of our conventional vehicle sample to be replaced with electric vehicles, under the base case scenario. The socially optimal all-electric driving range is 204 miles, with chargers placed every 172 miles on a linear corridor. All of the public chargers should be deployed at the beginning of the planning horizon to achieve greater savings over the years. Sensitivity analysis reveals that the timeframe for the socially optimal conversion of 80% of the sample varies from 6 to 12 years. The optimal decision variables are sensitive to battery pack and vehicle body cost, gasoline cost, the discount rate, and conventional vehicles' fuel economy. In conclusion, faster conventional vehicle replacement is achieved when the gasoline cost increases, electricity cost decreases, and battery packs become cheaper over the years.

25 ENERGY STORAGE↗

DOE OSTI2022

Tracking the PACE of household energy usage: Energy usage impacts of projects financed through Property Assessed Clean Energy programs in California

This report examines the household-level energy impacts of residential property assessed clean energy (R-PACE) projects using normalized metered energy consumption methods. Our analysis covers projects that occurred through an R-PACE program between 2009 and 2017 and includes more than 25,000 electricity meters and 15,000 gas meters. We employ a comparison group, drawn from other R-PACE households with similar locational and usage characteristics whose projects were implemented at different times, to control for some non-project and non-weather factors that may impact energy use. We find that projects consisting of energy efficiency technologies save, on average, about 3% of household electricity usage and 3.5% of household gas usage. R-PACE financing, however, can be used to install central heating or air conditioning equipment for the first time. These projects would be expected to increase energy consumption. Since our data do not directly indicate which projects are new installations, we develop a simple algorithm for identifying them. Removing these inferred installation projects yields average savings of about 5% for electricity and 6% for gas for those households that remain in the sample. Given the mild California climate and the results of another study of similar California projects using similar methods, these results are in line with expectations. Solar PV projects yield large reductions in grid electricity use, averaging 69% of household consumption. We estimate that, collectively, all R-PACE projects installed in California through 2019 would generate annual reductions in grid-tied electricity consumption of 506 GWh (mostly due to solar PV) and gas consumption reductions of 2 million therms in a normal weather year. These impacts are equivalent to the electricity consumption of about 74,000 California households (including both efficiency and PV generation) and the gas consumption of about 4700 California households.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

NASA NTRS2020

Thermal system and environmental testing of the Mars Helicopter

The Mars Helicopter will be a technology demonstration conducted during the Mars 2020 mission. The primary mission objective is to achieve several 90-second flights demonstrating the feasibility of heavier than air flight on Mars and capture visible light images via forward and nadir mounted cameras. These flights could possibly provide reconnaissance data for sampling site selection for other Mars surface missions. A solar array and batteries for flight operations, imaging, communications, and survival heating power the Helicopter. The thermal design is driven by minimizing survival heater energy while maintaining compliance with allowable flight temperatures in a variable thermal environment. Due to the small size of the Helicopter and its complex geometries, along with the fact that it operates with very low power and small margins in the extreme Mars environment, additional care had to be paid while planning thermal tests and designing the thermal system. The first section of the paper describes the evolution of the thermal system of the Mars Helicopter. After the first thermal vacuum test of the engineering model, the thermal team has conducted a partial effect analysis on the thermal design components that had a major impact on the system performance. Several design choices derived by analysis and test have been made to meet the energy allocation and the temperature requirements. These changes included increased gas gaps to reduce gas conduction, low emissivity coatings for internal components, blanket implementation, optimization of wire routing and fine-tuning of surface operations to optimize waste heat recovery. The second part of the paper describes the flight model thermal vacuum test and the subsequent thermal model correlation necessary to confirm the fidelity of the analysis results.

Pauken, Michael↗

DOE OSTI2017

CHEMICAL EVOLUTION OF THE UNIVERSE AT 0.7 < z < 1.6 DERIVED FROM ABUNDANCE DIAGNOSTICS OF THE BROAD-LINE REGION OF QUASARS

We present an analysis of Mg ii λ 2798 and Fe ii UV emission lines for archival Sloan Digital Sky Survey (SDSS) quasars to explore the diagnostics of the magnesium-to-iron abundance ratio in a broad-line region cloud. Our sample consists of 17,432 quasars selected from the SDSS Data Release 7 with a redshift range of 0.72 < z < 1.63. A strong anticorrelation between the Mg ii equivalent width (EW) and the Eddington ratio is found, while only a weak positive correlation is found between the Fe ii EW and the Eddington ratio. To investigate the origin of these differing behaviors of Mg ii and Fe ii emission lines, we perform photoionization calculations using the Cloudy code, where constraints from recent reverberation mapping studies are considered. We find from calculations that (1) Mg ii and Fe ii emission lines are created at different regions in a photoionized cloud, and (2) their EW correlations with the Eddington ratio can be explained by just changing the cloud gas density. These results indicate that the Mg ii/Fe ii flux ratio, which has been used as a first-order proxy for the Mg/Fe abundance ratio in chemical evolution studies with quasar emission lines, depends largely on the cloud gas density. By correcting this density dependence, we propose new diagnostics of the Mg/Fe abundance ratio for a broad-line region cloud. In comparing the derived Mg/Fe abundance ratios with chemical evolution models, we suggest that α -enrichment by mass loss from metal-poor intermediate-mass stars occurred at z ∼ 2 or earlier.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

COMBLE-ISLAS water isotopes in precipitation (COMBLEISLASISO)

During the measurement period, precipitation was sampled on daily to sub-daily basis with a sampling kit consiting of a clear plastic box (60x40x40 cm) mounted to a ground structure. Daily sampling lasted from 22 Feb to 24 Mar 2020. At a fixed time of day (10 UTC), samples were collected and the sampling box cleaned for the next sample. Additionally, during intense observations periods (IOPs) announced by ISLAS, ARMS scientists increased sampling frequency to sub-daily sampling. During the campaign period, 2 IOPs were conducted, with in total 12 samples taken. IOP1 lasted from 27 Feb 10 to 02 Mar 2020, and IOP2 lasted from 12 Mar to 14 Mar 2020. Solid precipitation in the box was then melted, transferred to an 8 ml glass vial, sealed and shipped to FARLAB (University of Bergen, Norway) for stable water isotope analysis. Measured stable isotope composition of precipitation samples will be related to conditions at other sampling locations, and at the evaporation site to inform about conservation of water isotope quantities. In the period from 22 Feb to 24 Mar, 23 daily samples were collected at 10 UTC for stable water isotope analysis. During the entire sampling period, a high variability of precipitation phase was encountered. Most samples were recovered in the form of graupel/snow (12 samples), as rain (7 samples), and the remaining samples fell as graupel, snow, rain or frozen rain. Precipitation amounts varied between <1 mm (26 Feb) and 140 mm (25 Feb) within the sampling box. Furthermore, higher-resolution sampling was conducted during 2 intense observation periods (IOPs). During IOP1, lasting from 27 Feb 10 UTC to 02 Mar 10 UTC, 7 samples were collected, all of them as solid phase precipitation. IOP2 lasted from 12 Mar 10 UTC to 14 Mar 09 UTC, and 5 samples (all as graupel/snow) were collected. Samples were processed according to FARLAB standard measurement procedures. In short, samples were transferred to 1.5 ml glass vials with rubber/PTFE septa (part #548-0907, VWR, USA). An autosampler (A0325, Picarro Inc) transferred ca. 2µl per injection into a high-precision vapourizer (A0211, Picarro Inc, USA) heated to 110°C. After blending with dry N2 (< 5 ppm H2O) the gas mixture was directed into the measurement cavity of a Cavity-Ring Down Spectrometer (L2140-i, Picarro Inc) for about 7 min with a typical water concentration of 20 000 ppm. Memory effects were reduced by two times measuring a vapour mixture at a mixing ratio of 50 000 ppm, obtained from 2 injections of 2 µl for 5 min at the beginning of each new sample vial. Thereafter, another 6 injections of 2 µl per sample were measured individually as described above, and averages of the last 5 injections were used for further processing. Three standards were measured at the beginning and end of each batch, including a drift standard DI2 (δD: -50.72±0.73 permil, δ18O: -7.63±0.10 permil), and for calibration the laboratory standards GLW (δD: -307.79±0.75 permil, δ18O: -40.02±0.07 permil) and EVAP2 (δD: 9.52±0.65 permil, δ18O: 1.81±0.13 permil). A detailed calibration report is included with the final uploaded data set.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2017

Atmospheric Waves and Dynamics Beneath Jupiters Clouds from Radio Wavelength Observations

We observed Jupiter at wavelengths near 2 cm with the Karl G. Jansky Very Large Array (VLA) in February 2015. These frequencies are mostly sensitive to variations in ammonia abundance and probe between approx. 0.5- 2.0 bars of pressure in Jupiters atmosphere; within and below the visible cloud deck which has its base near 0.7 bars. The resultant observed data were projected into a cylindrical map of the planet with spatial resolution of approx. 1500 km at the equator. We have examined the data for atmospheric waves and observed a prominent bright belt of radio hotspot features near 10 N, likely connected to the same equatorial wave associated with the 5-m hotspots. We conducted a passive tracer power spectral wave analysis for the entire map and latitude regions corresponding to eastward and westward jets and compare our results to previous studies. The power spectra analysis revealed that the atmosphere sampled in our observation (excluding the NEB region) is in a 2-D turbulent regime and its dynamics are predominately governed by the shallow water equations. The Great Red Spot (GRS) is also very prominent and has a noticeable meridional asymmetry and we compare it, and nearby storms, with optical images. We find that the meridional radio profile has a global north-south hemisphere distinction and find correlations of it to optical intensity banding and to shear zones of the zonal wind profile over select regions of latitude. Amateur optical images taken before and after our observation complemented the radio wave- length map to investigate dynamics of the equatorial region in Jupiters atmosphere. We find that two radio hotspots at 2 cm are well correlated with optical plumes in the NEB, additionally revealing they are not the same 5 m hotspot features correlated with optical dark patches between adjacent plumes. This analysis exploits the VLAs upgraded sensitivity and explores the opportunities now possible when studying gas giants, especially atmospheric dynamics of layers beneath upper level clouds.

radio observations↗

DOE OSTI2018

Efficient derivatization of methylphosphonic and aminoethylsulfonic acids related to nerve agents simultaneously in soils using trimethyloxonium tetrafluoroborate for their enhanced, qualitative detection and identification by EI-GC–MS and GC–FPD

Trimethyloxonium tetrafluoroborate (TMO·BF 4 ) has been used here in the simultaneous derivatization of phosphonic and 2-aminoethylsulfonic acids related to nerve agents in different soils for their enhanced detection and identification by electron ionization gas chromatography-mass spectrometry (EI-GC–MS). The panel of acids consisted of five Schedule 2 phosphonic acids (methyl methylphosphonic acid, ethyl methylphosphonic acid, isopropyl methylphosphonic acid, pinacolyl methylphosphonic acid and cyclohexyl methylphosphonic acid) along with two sulfonic acids, N,N-diethyl-2-aminoethylsulfonic acid and N,N-diisopropyl-2-aminoethylsulfonic acid. The acids were converted to their corresponding methyl esters at ambient temperature when present at a 10 μg g -1 concentration in three separate soils: Virginia type A soil, Ottawa sand and Nebraska EPA soil. The concentration of the acids reflects values typically encountered during proficiency tests (PTs) administered annually by the Organisation for the Prohibition of Chemical Weapons (OPCW). Derivatization times to yield detectable signals for the methyl ester products for all the acids was found to vary among all three soil samples, however, it was found that generally the most optimal time across all the matrices involved was 3 h after the addition of TMO·BF 4 . Concomitantly, the analysis of the samples was complemented using GC coupled to flame photometric detection (GC–FPD). The inclusion of GC–FPD in the analysis yielded stronger signals for all seven methylated analytes making their detection after merely 3 h possible relative to the ones initially obtained with EI-GC–MS. Regarding the three soils employed in our study, a greater methylating efficiency was found in the Virginia type A soil and Ottawa sand yielding results that were significantly larger in magnitude to those found during the same time points for the Nebraska EPA soil sample. Prolonged reaction times (up to 72 h) were explored to find the time for the highest yield of methyl ester production were found instead to be deleterious to the process showcasing the importance of the fast yielding nature of the process specifically in situations where time-sensitive analysis is crucial (e.g. OPCW-PT).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

The Effect of Environment on Galaxy Spiral Arms, Bars, Concentration, and Quenching

For a sample of 4378 nearby spiral and S0 galaxies, Yu & Ho used Fourier analysis of Sloan Digital Sky Survey images to show that the strengths of the spiral arms and the pitch angles of the arms are inversely correlated with central concentration. In the current study, we search for trends in the Yu & Ho spiral arm parameters with environment and specific star formation rate (sSFR). When comparing galaxies with similar concentrations, we do not find a significant difference in the arm strengths or pitch angles of spiral galaxies in clusters compared to field galaxies. When differences in concentration are taken into account, we also find no significant difference in the parameter f3 for cluster spirals compared to field spirals, where f3 is the normalized m = 3 Fourier amplitude. When concentration is held fixed, both arm strength and pitch angle are correlated with sSFR, but f3 is not. These relations support the suggestion by Davis et al. of a "fundamental plane" of spiral structure involving pitch angle, bulge stellar mass, and gas surface density. We discuss these results in terms of theories of spiral arm production and quenching in galaxies. To aid comparison with earlier studies based on Galaxy Zoo, we explore how the Yu & Ho parameters relate to similar parameters measured by Galaxy Zoo (i.e., f3 versus the number of arms, pitch angle versus winding parameter, and concentration versus bulge class).

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS2022

Reversible Colorimetric Sensing of Volatile Analytes By Wicking in Close Proximity to A Photonic Film

Isolation of volatile analytes from environmental or biological fluids is a rate-determining step that can delay the response time for continuous sensing. In this paper, we demonstrate a colorimetric sensing system that enables the rapid detection of gas-phase analytes released from a flowing micro-volume fluid sample. The sensor platform is an analyte-responsive metal-insulator-metal (MIM) thin-film structure integrated with a large area quartz micropillar array. This allows precise planar alignment and microscale separation (310 μm) of the optical and fluidic structures. This configuration offers rapid and homogeneous color changes over large areas that permits detection by low-resolution optics or eye, which is well-suited to portable/wearable devices. For our proof-of-principle demonstration, we utilized a poly(methyl methacrylate) (PMMA) spacer and evaluated the sensor's response (color change) to ethanol vapor. We show that the RGB color value is quantitatively linked to the spacer swelling, which is reversible and repeatable. The optofluidic platform reduces the sensor response time from minutes to seconds compared with experiments using a conventional chamber. The sensor's concentration-dependent response was examined, confirming the potential of the reported sensing platform for continuous, compact, and quantitative colorimetric analysis of volatile analytes in low-volume samples, such as biofluids.

Timothy J. Palinski↗

DOE OSTI2019

Roll-to-Roll Advanced Materials Manufacturing DOE Laboratory Collaboration - FY2018 Final Report

High-value R2R processing is used to support a wide range of products in applications which span many industrial business sectors. The overall R2R process technology can be considered as “mature” as the process methodology and has been in use for decades. This continuous processing technique traditionally involves deposition of material(s) onto moving webs or carriers or other continuous R2R, belt-fed, or conveyor-based processes that enable successive steps to build a final version which serves to support the deposited materials. Current process technologies, which typify “roll to roll”, include tape casting, silk-screen printing, reel-to-reel vacuum deposition/coating and R2R lithography. Products supported by R2R manufacturing include micro-electronics, electro-chromic window films, PVs, fuel cells for energy conversion, battery electrodes for energy storage, and barrier materials. Due to innovation in materials and process equipment, high-quality yet very low-cost multi-layer technologies can be manufactured on a very cost-competitive basis. To move energy-related products from high-cost niche applications to the commercial sector, a means must be available to enable manufacture of these products in a cost-competitive manner that is affordable by the general consumer. Fortunately, products such as fuel cells, thin- and mid-film PVs, batteries, electrochromic and piezoelectric films, water separation membranes, and other energy saving technologies readily lend themselves to manufacture using R2R approaches.Within the DOE EERE AMO, it was recognized that establishment of a program supported at the DOE National Laboratories, along with their immense design of materials and equipment modelling capabilities enabled with use of high-performance computing, could take advantage of available R2R infrastructure to manufacture new technologies. In FY 2016, a R2R Consortium was established and provided with initial “seed” funding to take an approach that was envisioned to be supportable by advanced manufacturing R2R processes. This collaborative approach was designed to foster identification and development of materials and processes related to R2R for clean-energy product development. Using computational and experimental capabilities by acknowledged subject matter experts within the supported National Laboratory system, this collaborative project would leverage the capabilities and expertise at each of four laboratories to further the development of an enabling high-volume cost-competitive platform technology. The collaboration team that is comprised of ORNL, ANL, NREL and LBNL, coordinating with EPB and other selected industry partners, was formed in April 2016 to initially address enhancing battery electrode performance and R2R manufacturing challenges. The research efforts were to predict and measure changes and results in electrode morphology and performance based on process condition changes; to evaluate mixed, active, particle size deposition and drying for novel electrode materials; to model various process condition changes and the resulting morphology and electrode performance; and to develop and validate NDE techniques for in-line measurement of battery electrode material properties. These efforts carried through FY 2017 and completed at the end of FY 2018.The approach was to look at compositions of materials with different particle sizes to make electrode samples using a R2R manufacturing process. The shape, size, and morphology of the materials, the chemistry of the formulation, the nature of slurries, their coating rate, the rate of drying all play a role in determining the final coating architecture, quality, and performance. A commercial cathode material was selected to make a series of cathodes and anodes by single pass, dual pass and slot die methods. Analysis of all the compiled results for this battery electrode development were that the best performing cathodes included: dual-pass electrode with large particles near the foil, mixed small and large particles, and small particles only. Whereas, the best performing anodes were with a mix of small and large graphite particles. An additional core project was added in FY 2017 to conduct studies of fuel cell materials that can be produced using R2R processes. The goal of this project is to explore, understand and optimize material and process parameters to support increased throughput, increased quality, and reduced cost for high volume production of gas-diffusion electrodes (GDEs) for PEMFCs. Project work in FY 2018 were to use a R2R process to fabricate electrodes without ionomer overlayer that can produce the equivalent mass activity as spray-coated electrodes with an ionomer overlayer. Oxygen-limiting current measurements were utilized to optimize oxygen mass transport. Alcohol-rich solvents were investigated, and results were that the alcohol and water ratio can be tuned to control ionomer distribution. Water-rich solvents produce a more dispersed ink which results in better high-current density performance.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Water and Ammonia Desorption from 5A Zeolite

Demonstrate adsorption and desorption characteristics of water and ammonia on 5A zeolite during regeneration conditions using a Thermogravimetric analyzer (TGA) on samples previously evaluated by residual gas analyzer (RGA)/mass balance. Molecular sieve (zeolite) adsorbents have the following characteristics: Crystalline alumino-silicates containing pores or 'cages' that adsorb water or other molecules. Polar compound are adsorbed with high loading even at very low concentrations of the fluid. A 5A molecular sieve was chosen for its ability to adsorb both water and ammonia (NH{sub 3}) from a carrier gas stream. Preliminary RGA/mass balance testing indicated: 5A zeolite captured both NH{sub 3} and water as anticipated based on molecular size; Reloading showed limited success after zeolite heated beyond manufacturer recommended operating conditions: Steam dealumination theorized cause; Tests were reprioritized to focus on NH{sub 3} removal and end of life potential holdup of NH{sub 3} and water on 5A zeolite material. TGA measures a sample's weight and volatile composition as it is heated or cooled in a furnace. TGA heats sample to release volatile materials, (change in mass is measured). MS detects/measures low levels of impurities. Perform TGA desorption of zeolite samples taken at the following conditions tested with RGA (RGA results not shown here): Initial Bakeout conditions: hydrogen carrier gas, slowly raise temp to approximately 300 deg. C until desired moisture content <<100 ppm is achieved. Water loading (re-loading): argon carrier gas through bubbler until breach is observed. Ammonia loading (re-loading): hydrogen carrier gas through system. Regenerations/End of life conditions: hydrogen carrier gas, raise temp to approximately 300 deg. C, then slowly to 450 deg. C (end of life). After end of life testing less than 4% of the total mass was residual ammonia or water at bakeout conditions. Peak water and ammonia removal occurred around 275 deg. C and 150 deg. C respectively.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2018

Dual reactor for in situ/operando fluorescent mode XAS studies of sample containing low-concentration 3d or 5d metal elements

Transition metal elements are the most important elements of heterogeneous catalysts used for chemical and energy transformations. Many of these catalysts are active at a temperature higher than 400 °C. For a catalyst containing a 3d or 5d metal element with a low concentration, typically their released fluorescence upon the K-edge or L-edge adsorption of X-rays is collected for the analysis of chemical and coordination environments of these elements. However, it is challenging to perform in situ/operando X-ray absorption spectroscopy (XAS) studies of elements of low-energy absorption edges at a low concentration in a catalyst during catalysis at a temperature higher than about 450 °C. Here a unique reaction system consisting two reactors, called a dual reactor system, was designed for performing in situ or operando XAS studies of these elements of low-energy absorption edges in a catalyst at a low concentration during catalysis at a temperature higher than 450 °C in a fluorescent mode. This dual-reactor system contains a quartz reactor for preforming high-temperature catalysis up to 950 °C and a Kapton reactor remaining at a temperature up to 450 °C for collecting data in the same gas of catalysis. With this dual reactor, chemical and coordination environments of low-concentration metal elements with low-energy absorption edges such as the K-edge of 3d metals including Ti, V, Cr, Mn, Fe, Co, Ni, and Cu and L edge of 5d metals including W, Re, Os, Ir, Pt, and Au can be examined through first performing catalysis at a temperature higher than 450 °C in the quartz reactor and then immediately flipping the catalyst in the same gas flow to the Kapton reactor remained up to 450 °C to collect data. The capability of this dual reactor was demonstrated by tracking the Mn K-edge of the MnO x /Na 2 WO 4 catalyst during activation in the temperature range of 300-900 °C and catalysis at 850 °C.

47 OTHER INSTRUMENTATION↗

DOE OSTI2023

Sensitivity of UO 2 fuel performance to microstructural evolutions driven by dilute additives

Use of dilute additives to nuclear fuel is being considered to increase the security of commercial fuel management through traceability of fabricated fuel elements. Taggants, as additives are denoted when included for traceability purposes, may also improve fuel performance, as demonstrated in Cr-containing uranium dioxide as described in the literature, and they may also improve fuel safety. In fact, studies have shown that some additives affect fuel material properties such as grain size and density after sintering. Given the possible range of elements that could be used as additives, the impact of such fuel property variations on the fuel’s thermomechanical behavior becomes relevant. These effects can be evaluated through a sensitivity study of standard fuel models to analyze changes in these properties using a fuel performance code. In this work, the BISON code is being used to investigate these effects through a 2D axisymmetric model of smeared UO 2 fuel pellets and ZIRLO® cladding under realistic pressurized water reactor core irradiation conditions. Here, randomly sampled densities and grain sizes within specified ranges are used as input parameters in the simulations, and several fuel model-related outputs are evaluated. The thermomechanical response of the cladding is also addressed in this study. The simultaneous variation of both input parameters offers a more comprehensive path to identify key sensitivities. Outputs explored include temperature, fission gas release, creep, and radial stress. Results show that although most of these outputs are sensitive to grain size to a certain extent, density mainly affects fuel temperature and elastic strain. Furthermore, sensitivities can vary depending on the radial position within the fuel pellet.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRSDate not supplied

Computer Controlled High Vacuum Gas Purification and Analysis Line

Light stable isotope work requires the handling of gasses such a way that does not alter isotopic composition. To do this, there are a large number of analytical and experimental procedures which involve the use of a vacuum line, numerous “egg timers” and a human hand on a valve. Unfortunately, the human hand is inconsistent and inadvertent small, and commonly large, differences in timing can have a measurable effect on outcomes. We have constructed a computer controlled high-vacuum line to be used as an expandable platform for future experimental and analytical procedures. The vacuum line consists of an electropolished 316 stainless steel system of cryogenic u-traps partitioned by pneumatic valves. The code to operate the line has been developed using the LabView platform and will allow for automated timing, consistent valve opening speed and unattended operation of long analytical procedures. The aim of this project is to address a need in the light stable isotope laboratory for a general-purpose vacuum line for handling and manipulation of gasses. When combined with existing instrumentation it allows for a significant expansion of current analytical capabilities. The system allows for better handling of standards, gas conversion techniques and gas sample collection for interlaboratory comparisons. The basic structure of the line, automation hardware and software were chosen and designed to provide a base for future expansion of the system to incorporate new automated analytical techniques as laboratory instrumentation and analytical needs expand.

High vacuum↗

DOE OSTI2025

Roughrider Carbon Storage Hub (Final Report)

The Roughrider Carbon Storage Hub was a 2-year project (October 2023 – September 2025) conducted by the Energy & Environmental Research Center (EERC) focused on advancing the feasibility of a commercial-scale carbon dioxide (CO 2 ) geologic storage hub in McKenzie County, North Dakota. The project’s objective was to investigate the potential that stacked storage complexes (multiple deep saline formations) can safely and economically store at least 50 million tonnes of CO 2 within 30 years. The captured CO 2 would be sourced from industrial emitters including project partner ONEOK, Inc.’s gas-processing plants and a planned gas-to-liquids facility. Drilling of the Roughrider 1 stratigraphic test well (14,979-ft total depth) was completed in November 2024. The wellbore intersected four candidate storage formations: Inyan Kara, Broom Creek, Mission Canyon, and Black Island–Deadwood. Operational challenges, including a stuck drill string, were resolved without long-term impact. A comprehensive logging and coring program was conducted, followed by successful well abandonment and site reclamation. Over 660 ft of 4-in. whole core was retrieved. Core plug samples were processed and analyzed for petrophysical and geochemical properties. Results confirmed promising porosity and permeability in the Inyan Kara and Broom Creek Formations and removal of the Mission Canyon and Black Island–Deadwood horizons from further investigation. Data derived from the logging and coring program were used to improve initial geologic models built from legacy data. CO 2 injection simulations showed that the Inyan Kara alone can feasibly store the target mass of CO 2 . Because of subtle differences in geologic structure and porosity trends between the formations, a stacked storage scenario using the Broom Creek and Inyan Kara Formations resulted in a larger overall plume area than using the Inyan Kara alone. Preliminary CO 2 pipeline routes from the industrial sources were mapped utilizing existing rights of way and evaluated for capacity and cost using U.S. Department of Energy Office of Fossil Energy and Carbon Management/National Energy Technology Laboratory models and U.S. Environmental Protection Agency emissions data. Integrating capture, transport, and storage cost estimates with policy incentives (e.g., 45Q credits) provided a total cost-per-ton analysis. Results indicate that the small scale of the volumes to be transported over the cumulative large distances does not support the project’s financial viability. However, the groundwork laid during this project from geological, regulatory, and social perspectives positions the Roughrider hub site as a promising candidate for commercial carbon storage in North Dakota, especially if the economy of scale is introduced for CO 2 transportation to the hub site.

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2019

Triboionization: a Novel Ionization Method by Peeling of Cohesive Substances for Mass Spectrometry

A novel ionization/sampling method termed triboionization was developed. Triboionization is an ionization method that only uses cohesive substances, such as food wrap or sticky tape, and does not require an electrode, electric power supply, heat source, light source, radiation, or gas, unlike most other conventional ambient ionization methods. In this study, the sample compound attached to adhesive tape or plastic wrap was quickly peeled off at a distance of approximately 2 cm from the atmospheric interface of a mass spectrometer. All of the five types of food wrap and 13 types of adhesive tape tested successfully ionized caffeine. Nine out of ten model compounds were detected as the corresponding molecular ions in the positive or negative mode by this ionizing contrivance using an oriented polypropylene adhesive tape. The detected molecular ions were typically protonated molecules or sodium adducts in the positive mode or deprotonated molecules in the negative mode. The elemental compositions of the observed ions were confirmed within 5 ppm by high-resolution mass spectrometry. The triboionization phenomenon was considered to depend on physical and electronic events caused by peeling off a cohesive substance. Triboionization is able to provide a compact ion source using only mechanical mechanisms. Additionally, triboionization allows sticky tape to be used as a convenient sampling device for surface analysis. .

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2026

A dual dynamic shutter system for accelerating ion irradiation sample throughput via lateral gas implantation gradients

Ion irradiation for material performance testing is limited due to its serial nature, which allows for only one value of the implantation (appm) versus dose (dpa) parameter space to be explored for each ion and experiment at a time. While ion irradiation can accelerate the process by up to three orders of magnitude compared to neutron irradiation experiments, the sample throughput for ion irradiation remains relatively low. To address these limitations, a novel capability has been developed at the Michigan Ion Beam Laboratory (MIBL), enabling for the creation of single- and two-dimensional lateral ion implantation gradients using recently installed motorized-controlled ion-beam shutters. This advancement can generate a wide scope of the two-dimensional (H+, He2+) implantation parameter space within a single sample. Integration of this new capability now allows for dual- and triple-ion beam experiments to be performed with full user control over not only the ion implantation depth, but also laterally across the sample by imposing ion implantation concentration gradients, thus providing researchers with a high-throughput means for material testing under various irradiation conditions. Furthermore, recent improvements in MIBL's microbeam ion-beam analysis (IBA) target station now allow for probing these concentration gradients in irradiated alloys with exceptional spatial resolution, down to 10 µm. These two approaches promise to significantly improve ion irradiation capabilities and increase the sample throughput by several orders of magnitude. The application of the shutter technique plus the subsequent microbeam characterization of the imposed implantation gradients are showcased by two proof-of-principle ion-irradiated experiments, one performed on single-crystal Si and the other on the fusion-candidate alloy F82H-IEA. These advancements mark a substantial leap in ion-beam technology, offering researchers a robust, high-throughput method to efficiently investigate candidate alloys with high technological readiness for both advanced fission and fusion reactor applications, in a time- and cost-effective manner.

36 - MATERIALS SCIENCE↗