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End-Use Savings Shapes: Measure Documentation: Add Exhaust Air Heat/Energy Recovery

This documentation focuses on a single end-use savings shape measure—Add Exhaust Air Heat/Energy Recovery. This measure adds exhaust air energy recovery or heat recovery to existing air handling units (AHU) with outdoor air. Systems that already have energy/heat recovery are not modified. Furthermore, food service building types are also not modified by this measure due to the added complication of integrating cooking hood exhaust that could cause heat exchanger fouling from kitchen exhaust. In total, this measure is applicable airloops serving ~70% of the floor area in ComStock. In practice, energy/heat recovery systems are retrofitted to existing air delivery systems either as separate systems that provide outdoor air to the AHUs or are directly integrated to an AHU; the modeling approach used in this study is agnostic of the energy recovery type and simply accounts recovery effectiveness, added static pressure, and other controls which are described further in this document. Energy recovery with sensible and latent exchange gets added in humid climate zones, while heat recovery with sensible-only exchange gets added in drier climate zones. Energy recovery is modeled as a fixed membrane plate counterflow heat exchanger, while heat recovery is modeled as a sensible-only fixed aluminum plate counterflow heat exchanger. Both systems include a bypass (for temperature control and economizer lockout) and electric resistance preheat coil for frost prevention.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Dynamic structural and microstructural responses of a metal–organic framework type material to carbon dioxide under dual gas flow and supercritical conditions

The structural and microstructural responses of a model metal–organic framework material, Ni(3-methyl-4,4'-bipyridine)[Ni(CN) 4 ] (Ni-BpyMe or PICNIC-21), to CO 2 adsorption and desorption are reported for in situ small-angle X-ray scattering and X-ray diffraction measurements under different gas pressure conditions for two technologically important cases. These conditions are single or dual gas flow (CO 2 with N 2 , CH 4 or H 2 at sub-critical CO 2 partial pressures and ambient temperatures) and supercritical CO 2 (with static pressures and temperatures adjusted to explore the gas, liquid and supercritical fluid regimes on the CO 2 phase diagram). The experimental results are compared with density functional theory calculations that seek to predict where CO 2 and other gas molecules are accommodated within the sorbent structure as a function of gas pressure conditions, and hence the degree of swelling and contraction in the associated structure spacings and void spaces. Furthermore, these predictions illustrate the insights that can be gained concerning how such sorbents can be designed or modified to optimize the desired gas sorption properties relevant to enhanced gas recovery or to addressing carbon dioxide reduction through carbon mitigation, or even direct air capture of CO 2 .

36 MATERIALS SCIENCE↗

Dynamic optical spectroscopy and pyrometry of static targets under optical and x-ray laser heating at the European XFEL

Experiments accessing extreme conditions at x-ray free electron lasers (XFELs) involve rapidly evolving conditions of temperature. Here, we report time-resolved, direct measurements of temperature using spectral streaked optical pyrometry of x-ray and optical laser-heated states at the High Energy Density instrument of the European XFEL. This collection of typical experiments, coupled with numerical models, outlines the reliability, precision, and meaning of time dependent temperature measurements using optical emission at XFEL sources. Dynamic temperatures above 1500 K are measured continuously from spectrally- and temporally-resolved thermal emission at 450–850 nm, with time resolution down to 10–100 ns for 1–200 μs streak camera windows, using single shot and integrated modes. Targets include zero-pressure foils free-standing in air and in vacuo, and high-pressure samples compressed in diamond anvil cell multi-layer targets. Radiation sources used are 20-fs hard x-ray laser pulses at 17.8 keV, in single pulses or 2.26 MHz pulse trains of up to 30 pulses, and 250-ns infrared laser single pulses. A range of further possibilities for optical measurements of visible light in x-ray laser experiments using streak optical spectroscopy are also explored, including for the study of x-ray induced optical fluorescence, which often appears as background in thermal radiation measurements. We establish several scenarios where combined emissions from multiple sources are observed and discuss their interpretation. Challenges posed by using x-ray lasers as non-invasive probes of the sample state are addressed.

47 OTHER INSTRUMENTATION↗

Analysis of Respirator Cartridge Performance Testing on a Hanford AN Tank Farm Exhauster Slipstream

Washington River Protection Solutions (WRPS) conducted tests on two types of chemical cartridges for use in air purifying respirators to determine the period of time that the cartridges would provide adequate performance to protect workers when exposed to a mixture of Chemicals of Potential Concern (COPCs) from vapors exiting the exhauster at the Hanford AN tank farm. The Occupational Safety and Health Administration (OSHA) identifies cartridge testing as a valid approach for establishing cartridge change schedule. Testing is commonly applied in situations where mixtures of COPCs exist and where other approaches, such as manufacturer recommendations and modeling, are less reliable. The tests were designed and conducted to assure measurement and/or control of the key variables OSHA identified as important to estimate cartridge service life, including temperature, humidity, COPC concentration, breathing rate, and cartridge adsorption capacity. Testing was conducted from September 30−October 2, 2016, on a slipstream from the AN Exhauster under static conditions fed to a respirator cartridge test stand developed by WRPS in collaboration with HiLine Engineering (Richland, Washington). Multipurpose respirator cartridges, SCOTT 7422-SD1 and SCOTT 7422-SC1 (SCOTT Safety, Monroe, North Carolina) were assessed on separate days. Sample media (sorbent tubes) were used to collect samples of the vapor stream entering and exiting the respirator cartridge and were subsequently analyzed for COPC concentrations. Pacific Northwest National Laboratory was tasked with conducting an independent analysis of the analytical results and making recommendations based on the results for respiratory cartridge performance and service life.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Analysis of Respirator Cartridge Performance Testing on the 702-AZ Primary Exhauster for the Hanford AY/AZ Tank Farms

Washington River Protection Solutions (WRPS) conducted tests on two types of chemical cartridges for use in air purifying respirators to determine the period of time that the cartridges would provide adequate performance to protect workers when exposed to a mixture of Chemicals of Potential Concern (COPC) from vapors exiting the 702-AZ primary exhauster for the Hanford AY/AZ tank farms. The Occupational Safety and Health Administration (OSHA) identifies cartridge testing as a valid approach for establishing cartridge change schedules. Testing is commonly applied in situations where mixtures of COPCs exist, and where other approaches, such as manufacturer recommendations and modeling, are less reliable. The tests were designed and conducted to assure measurement and/or control of the key variables OSHA identified as important to estimate cartridge service life, including temperature, humidity, COPC concentration, breathing rate, and cartridge adsorption capacity. Testing was conducted from August 26–28, 2016, on a slipstream from the 702-AZ exhauster, under static conditions fed to a respirator cartridge test stand developed by WRPS in collaboration with HiLine Engineering (Richland, Washington). Multipurpose respirator cartridges, SCOTT 7422-SD1 and SCOTT 7422-SC1(SCOTT Safety, Monroe, North Carolina) were assessed on separate days. Sample media (sorbent tubes) were used to collect samples of the vapor stream entering and exiting the respirator cartridge, and were subsequently analyzed for COPC concentrations. Pacific Northwest National Laboratory was tasked with conducting an independent analysis of the analytical results and making recommendations based on the results for respiratory cartridge performance and change-out frequency.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Analysis of Respirator Cartridge Performance Testing on a Hanford AW Tank Farm Exhauster Slipstream

Washington River Protection Solutions (WRPS) conducted tests on two types of chemical cartridges for use in air-purifying respirators (APR) to determine the period of time that the cartridges would provide adequate performance for APRs used to protect workers when exposed to a mixture of Chemicals of Potential Concern (COPCs) from vapors exiting the exhauster for the Hanford AW tank farm. The Occupational Safety and Health Administration (OSHA) identifies cartridge testing as a valid approach for establishing a cartridge change schedules. Testing is commonly applied in situations where mixtures of COPCs exist, and where other approaches, such as manufacturer recommendations and modeling, are less reliable. The tests were designed and conducted to assure measurement and/or control of the key variables OSHA identified as important to estimate cartridge service-life, including temperature, humidity, COPC concentration, breathing rate, and cartridge adsorption capacity. Testing was conducted from September 23-25, 2016, on a slipstream from the AW exhauster, under static conditions fed to a respirator cartridge test stand developed by WRPS in collaboration with HiLine Engineering (Richland, Washington). Multipurpose respirator cartridges, SCOTT 7422-SD1 and SCOTT 7422-SC1 (SCOTT Safety, Monroe, North Carolina), were assessed on separate days. Sample media (sorbent tubes) were used to collect samples of the vapor stream entering and exiting the respirator cartridge, and were subsequently analyzed for COPC concentrations. Pacific Northwest National Laboratory was tasked with conducting an independent analysis of the analytical results and making recommendations based on the results for respiratory cartridge performance and service life.

54 ENVIRONMENTAL SCIENCES↗

A non-volatile thermal switch for building energy savings

Compared with traditional static insulation, a thermally switchable building envelope could reduce annual heating and cooling loads by intermittently coupling to the outside environment when beneficial. Here, we demonstrate a voltage-actuated, contact/non-contact thermal switch that meets the unique challenges of this application. The switch is non-volatile, consuming electricity only briefly while switching and none to hold steady state. The switch ratio is 12, the off state has a low effective thermal conductivity of 0.045 W m -1 K -1 , comparable to fiberglass insulation, and the performance is stable over 1,000 switching cycles. Numerical simulations using real-world climate data show that combining this thermal switch with a thermal storage layer in a building envelope can yield annual energy savings of 9%-55% (heating) and 17%-76% (air conditioning), depending on the climate zone. The greatest benefits are realized when the exterior temperature crosses well above and below the desired interior temperature within a single 24 h period.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Analysis of Respirator Cartridge Performance Testing on Hanford Tank A-101

Washington River Protection Solutions (WRPS) conducted tests on two types of chemical cartridges for use in air purifying respirators (APR) to determine the period of time that the cartridges would provide adequate performance1 to protect workers when exposed to a mixture of Chemicals of Potential Concern (COPCs) from vapors emanating from the headspace of tank A-101 on the Hanford Site. The Occupational Safety and Health Administration (OSHA) identifies cartridge testing as a valid approach for establishing a cartridge change schedules.[3] Testing is commonly applied in situations where mixtures of COPCs exist, and where other approaches, such as manufacturer recommendations and modeling, are less reliable. The tests were designed and conducted to ensure measurement and/or control of the key variables OSHA identified as important to estimate cartridge service life, including temperature, humidity, COPC concentration, breathing rate, and cartridge adsorption capacity. Testing was conducted over a period from July 22-24, 2016, using headspace vapors from Hanford tank A-101 under static conditions2 fed to a respirator cartridge test stand developed by WRPS in collaboration with HiLine Engineering (Richland, Washington). Multipurpose respirator cartridges, SCOTT 7422-SD1 and 7422-SC1 (SCOTT Safety, Monroe, North Carolina) were assessed on separate days with A-101 headspace vapors. Sample media (sorbent tubes) were used to collect samples of the vapor stream entering and exiting the respirator cartridge, and were subsequently analyzed for COPC concentrations. Pacific Northwest National Laboratory was tasked with conducting an independent analysis of the analytical results and making recommendations based on the results for respiratory cartridge performance and service life. Key conclusions from the assessment of the 59 COPCs in this study are described below: • Based on d measured cartridge inlet vapor concentrations from tank A-101 headspace, both ammonia and N-Nitrosodimethylamine (NDMA) exceeded their Occupational Exposure Limits (OEL).3 These measurements were generally consistent with maximum A-101 headspace measurements previously obtained for these two compounds. • Ammonia had respirator cartridge outlet concentrations that exceeded 10% of the OEL for both cartridges tested, indicating breakthrough for each. For the SCOTT 7422-SD1 cartridge, ammonia appeared to breakthrough above 10% of its OEL after 2 hours. For the SCOTT 7422-SC1 cartridge, ammonia breakthrough appeared to occur after 8 hours. 1 “Adequate performance” refers to the breakthrough criteria used in this analysis—that is, sustained cartridge outlet concentrations above 10% of the OEL. For some COPCs, an alternate threshold has been applied when necessary due to higher detection limit (DL)/reporting limit (RL) values for specific compounds. Ultimately, Industrial Hygiene professionals will use these results along with specific hazard assessments to determine service life and cartridge use that provides the necessary performance. 2 These tests were conducted under static conditions absent waste-disturbing activities in the subject tank or tank farm. 3 Occupational Exposure Limits accepted for Hanford Tank Farm use are based on OELs established by a U.S. governmental agency or national professional organization (e.g., OSHA, National Institute for Occupational Safety and Health, American Conference of Governmental Industrial Hygienists), or if no U.S. OEL exists, standard toxicological practices are applied to develop OELs using non-U.S. exposure limits, other established OELs for chemical surrogates when available, or other standard procedures. The OEL for NDMA was established in 2005 based on the MAK (Maximale Arbeitsplatzkonzentration) Commission standard adopted in Europe. iv • Despite respirator inlet measurements for NDMA that were in excess of its OEL, all corresponding outlet measurements, from both respirator cartridges, were below analytical DL 1 for the

61 RADIATION PROTECTION AND DOSIMETRY↗

Analysis of Respirator Cartridge Performance Testing on a Hanford Tank SY-102

Washington River Protection Solutions (WRPS) conducted tests on two types of chemical cartridges for use in air-purifying respirators (APR) to determine the period of time that the cartridges would provide adequate performance1 for APRs used to protect workers when exposed to a mixture of Chemicals of Potential Concern (COPC) from vapors emanating from the headspace of tank SY-102 on the Hanford Site. The Occupational Safety and Health Administration (OSHA) identifies cartridge testing as a valid approach for establishing a cartridge change schedule. Testing is commonly applied in situations where mixtures of COPCs exist, and where other approaches, such as manufacturer recommendations and modeling, are less reliable. The tests were designed and conducted to assure measurement and/or control of the key variables OSHA identified as important to estimate cartridge service life, including temperature, humidity, COPC concentration, worker breathing rate, and cartridge adsorption capacity. Testing was conducted from July 8–10, 2016, on headspace vapors from Hanford tank SY-102 under static conditions2 fed to a respirator cartridge test stand developed by WRPS in collaboration with HiLine Engineering (Richland, Washington). Multipurpose respirator cartridges, SCOTT 7422-SD1 and SCOTT 7422-SC1 (SCOTT Safety, Monroe, North Carolina) were assessed on separate days. Sample media (sorbent tubes) were used to collect samples of the vapor stream entering and exiting the respirator cartridge and were subsequently analyzed for COPC concentrations. Pacific Northwest National Laboratory was tasked with conducting an independent analysis of the analytical results and making recommendations based on the results for respiratory cartridge performance and service life.

42 ENGINEERING↗

Analysis of Respirator Cartridge Performance Testing on a Hanford Tank SY-102

Washington River Protection Solutions (WRPS) conducted tests on two types of chemical cartridges for use in air-purifying respirators (APR) to determine the period of time that the cartridges would provide adequate performance for APRs used to protect workers when exposed to a mixture of Chemicals of Potential Concern (COPC) from vapors emanating from the headspace of tank SY-102 on the Hanford Site. The Occupational Safety and Health Administration (OSHA) identifies cartridge testing as a valid approach for establishing a cartridge change schedule. Testing is commonly applied in situations where mixtures of COPCs exist, and where other approaches, such as manufacturer recommendations and modeling, are less reliable. The tests were designed and conducted to assure measurement and/or control of the key variables OSHA identified as important to estimate cartridge service life, including temperature, humidity, COPC concentration, worker breathing rate, and cartridge adsorption capacity. Testing was conducted from July 8–10, 2016, on headspace vapors from Hanford tank SY-102 under static conditions fed to a respirator cartridge test stand developed by WRPS in collaboration with HiLine Engineering (Richland, Washington). Multipurpose respirator cartridges, SCOTT 7422-SD1 and SCOTT 7422-SC1 (SCOTT Safety, Monroe, North Carolina) were assessed on separate days. Sample media (sorbent tubes) were used to collect samples of the vapor stream entering and exiting the respirator cartridge and were subsequently analyzed for COPC concentrations. Pacific Northwest National Laboratory was tasked with conducting an independent analysis of the analytical results and making recommendations based on the results for respiratory cartridge performance and service life.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Analysis of Air-Purifying Respirator (APR) Cartridge Performance Testing on Hanford Tanks SX-101 and SX-104 (Vol.1)

Washington River Protection Solutions (WRPS) conducted tests on two types of chemical cartridges for use in air-purifying respirators to determine the period of time that the cartridges would provide adequate performance1 to protect workers when exposed to a mixture of Chemicals of Potential Concern (COPC) from vapors exiting the headspaces of Hanford tanks SX-101 and SX-104. The Occupational Safety and Health Administration (OSHA) considers cartridge testing a valid approach for establishing cartridge change schedules.2 Testing is commonly applied in situations where mixtures of COPCs exist and where other approaches such as manufacturer recommendations and modeling are less reliable. The tests were designed and conducted to ensure measurement and/or control of the key variables OSHA identified as important to estimate the cartridge service life, including temperature, humidity, COPC concentration, breathing rate, and cartridge adsorption capacity. Testing was conducted from June 16-17, 2017, and June 23-24, 2017, using headspace vapors from Hanford tank SX-104 and Hanford tank SX-101, respectively. Headspace vapors under static conditions were fed to a respirator cartridge test stand developed by WRPS in collaboration with HiLine Engineering (Richland, Washington). Multipurpose respirator cartridges, SCOTT 7422-SD1 and SCOTT 7422-SC1 (SCOTT Safety, Monroe, North Carolina), were assessed on separate days. Sample media (sorbent tubes) were used to collect samples of the vapor stream entering and exiting the respirator cartridges, and subsequently were analyzed for COPC concentrations. Pacific Northwest National Laboratory was tasked with conducting an independent analysis of the analytical results and making recommendations based on the results for respiratory cartridge performance and service life.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Real-Time Partitioning of Diurnal Stem CO 2 Efflux into Local Stem Respiration and Xylem Transport Processes

The apparent respiratory quotient (ARQ) of tree stems, defined as the ratio of net stem CO 2 efflux (E S_CO2 ) to net stem O 2 influx (E S_O2 ), offers insights into the balance between local respiratory CO 2 production and CO 2 transported via the xylem. Traditional static chamber methods for measuring ARQ can introduce artifacts and obscure natural diurnal variations. Here, we employed an open flow-through stem chamber with ambient air coupled with cavity ring-down spectrometry, which uses the molecular properties of CO 2 and O 2 molecules to continuously measure E S_CO2 , E S_O2 , and ARQ, at the base of a California cherry tree (Prunus ilicifolia) during the 2024 growing season. Measurements across three stem chambers over 3–11-day periods revealed strong correlations between E S_CO2 and E S_O2 and mean ARQ values ranging from 1.3 to 2.9, far exceeding previous reports. Two distinct diurnal ARQ patterns were observed: daytime suppression with nighttime recovery, and a morning peak followed by gradual decline. Partitioning E S_CO2 into local respiration and xylem-transported CO 2 indicated that the latter can dominate when ARQ exceeds 2.0. Furthermore, transported CO 2 exhibited a higher temperature sensitivity than local respiration, with both processes showing declining temperature sensitivity above 20 °C. These findings underscore the need to differentiate stem CO 2 flux components to improve our understanding of whole-tree carbon cycling.

59 BASIC BIOLOGICAL SCIENCES↗

Parameterization of the Elevated Convection With a Unified Convection Scheme (UNICON) and Its Impacts on the Diurnal Cycle of Precipitation

To improve the simulation of nocturnal precipitation, we develop a parameterization for the elevated convection that is launched from the level of maximum grid-mean moist static energy, when grid-mean vertical flow is upward at the launching interface. The parameterized elevated convection is forced by both cold pool-driven and partially resolved external mesoscale organized flows. Properties of the external mesoscale flow are estimated from grid-mean vertical velocity and three dimensional advection tendencies of temperature and moisture. The new parameterization is implemented into a unified convection scheme (UNICON) and tested for both the single-column case at the Southern Great Plain (SGP) site in US and in global simulations. At the SGP site, the parameterized elevated convection strengthens nocturnal convection, increases nocturnal precipitation, and better simulates the observed diurnal cycle of precipitation. It appears that the elevated and surface-based convections interact with each other by stabilizing the atmospheric column, which affects subsequent convection. Global simulation shows that the elevated convection mostly occurs over the continents during the night, and also over the oceanic mid-latitude warm air advection and storm track regions during summer. Without degrading global mean climate, the elevated convection improves the simulation of nocturnal precipitation in the mid-US but simulates somewhat strong nocturnal precipitation in northeastern Asia. It seems that a key to simulate observed nocturnal precipitation is to appropriately parameterize the impacts of external organized flow on the elevated convection.

54 ENVIRONMENTAL SCIENCES↗

Mesoscale Modeling to Characterize Eagle Soaring Habitat

Uncovering drivers of risk is crucial to understanding interactions between wildlife and wind turbines, and identifying options for impact minimization. These drivers tie to co-variates linked to behavior and movement patterns that allow us to estimate locations and periods of risk. For volant species, atmospheric flow can have significant influence on flight patterns. For obligate soaring birds, like golden eagles, updraft velocities can inform where eagles are likely to travel, at what altitude, and where conditions are not likely sufficient to sustain soaring flight. This has been an active area of study in recent years, using relatively coarse atmospheric data generally at the 20km x 20km scale or larger. Leveraging a 20-year dataset from the Weather Research and Forecasting Model (WRF) (https://www.mmm.ucar.edu/weather-research-and-forecasting-model), we are quantifying vertical velocities across the continental United States at a 2km x 2km resolution. Wind resource data sets originally were static maps showing the mean annual wind speed over an area. However, for these data sets to be optimally used for various applications they must be high-resolution time series, seamlessly span large geographic contexts, and account for uncertainty in wind speed. The National Renewable Energy Laboratory is producing public available datasets that meet these criteria and will be bias corrected to yield the most accurate wind resource data. This effort is an augment to the current WIND Toolkit which houses a high resolution data set. In the new iteration of the WIND Toolkit, a 20-year dataset will be used to improve the accuracy and estimate uncertainty using ensemble and machine-learning techniques. The resulting product will be the most accurate dataset of its size and at a 2km x 2km spatial and 5-minute temporal resolution. Through this work, a mesoscale vertical velocity layer will be produced by calculating the likelihood of orographic updraft and thermal updraft conditions across the continental United States. Specifically, we will use WRF model output combined with digital elevation maps to predict updrafts and then determine if vertical velocities are sufficient to support Golden Eagle soaring and gliding. Ultimately this data layer will be made available as a GIS layer in the Wind Prospector (maps.nrel.gov/wind-prospector/) tool or a similar framework. Data that will be incorporated include wind speed, direction temperature, relative humidity, barometric pressure, air density, precipitation rate, solar radiation, atmospheric stability, skin temperature, and upward heat flux. These products will advance research on interactions between volant species and wind energy by providing open access to highly resolved data with uncertainty quantification not previously available at this scale.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A new open‐path eddy covariance method for nitrous oxide and other trace gases that minimizes temperature corrections

Abstract Low‐power, open‐path gas sensors enable eddy covariance (EC) flux measurements in remote areas without line power. However, open‐path flux measurements are sensitive to fluctuations in air temperature, pressure, and humidity. Laser‐based, open‐path sensors with the needed sensitivity for trace gases like methane (CH 4 ) and nitrous oxide (N 2 O) are impacted by additional spectroscopic effects. Corrections for these effects, especially those related to temperature fluctuations, often exceed the flux of gases, leading to large uncertainties in the associated fluxes. For example, the density and spectroscopic corrections arising from temperature fluctuations can be one or two orders of magnitude greater than background N 2 O fluxes. Consequently, measuring background fluxes with laser‐based, open‐path sensors is extremely challenging, particularly for N 2 O and gases with similar high‐precision requirements. We demonstrate a new laser‐based, open‐path N 2 O sensor and a general approach applicable to other gases that minimizes temperature‐related corrections for EC flux measurements. The method identifies absorption lines with spectroscopic effects in the opposite direction of density effects from temperature and, thus, density and spectroscopic effects nearly cancel one another. The new open‐path N 2 O sensor was tested at a corn ( Zea mays L.) field in Southwestern Michigan, United States. The sensor had an optimal precision of 0.1 ppbv at 10 Hz and power consumption of 50 W. Field trials showed that temperature‐related corrections were 6% of density corrections, reducing EC random errors by 20‐fold compared to previously examined lines. Measured open‐path N 2 O EC fluxes showed excellent agreement with those made with static chambers ( m = 1.0 ± 0.3; r 2 = .96). More generally, we identified absorption lines for CO 2 and CH 4 flux measurements that can reduce the temperature‐related corrections by 10–100 times compared to existing open‐path sensors. The proposed method provides a new direction for future open‐path sensors, facilitating the expansion of accurate EC flux measurements.

47 OTHER INSTRUMENTATION↗

Impact of amorphous pockets on displacement damage evolution in silicon

Silicon has long been known to exhibit amorphization in response to heavy particle bombardment. For doses below the total amorphization threshold, partial amorphization is observed in the form of scattered amorphous pockets. While extensive research has gone into modeling the formation and evolution of amorphous pockets in response to irradiation, no studies yet investigate their impact on the evolution of other damage such as interstitial supersaturation and clustering. In this study, we survey the impact of amorphous pockets on defect evolution in silicon when treated as static sinks. MD is first used to show that amorphous pockets provide energetically favorable sites for point defects relative to the crystalline bulk, supporting the hypothesis that they act as sinks. A 0-D cluster dynamics model is then constructed, taking an interstitial clustering model from the literature and including amorphous pockets as a sink species. We conduct our survey for temperatures between 30 and 400 °C and sink strengths between 1 to 6 x 10 10 cm −2 . Both implantation- and radiation-induced damage states are investigated using interstitial and vacancy concentrations as initial condition variables. We find that, due to the differing migration rates of the interstitial and the vacancy, amorphous pockets have a non-monotonic impact on the final damage state depending on the effective sink strength of the amorphous pockets, resulting in increased damage formation in regimes of intermediate amorphization. In conclusion, this result emphasizes the important role of amorphous pockets in governing the evolution of damage in partially amorphized crystalline materials.

36 MATERIALS SCIENCE↗

Large-Eddy Simulation Study of Flow and Combustion Dynamics in a Full-Scale Hydrogen–Air Rotating Detonation Combustor-Stator Integrated System

In the present work, a first-of-its-kind three-dimensional (3D) large-eddy simulation (LES) study is conducted to numerically investigate the combustion dynamics as well as aero-thermal phenomena in a full-scale nonpremixed hydrogen–air rotating detonation engine (RDE) (with a diverging-shaped lower-end wall), when integrated with nozzle guide vanes (NGV) acting as the turbine stator. The wall-modeled LES framework incorporates hydrogen–air detailed chemical kinetics and adaptive mesh refinement (AMR). A comparative analysis is carried out for two operating conditions with different fuel/air mass flow rates but global equivalence ratio of unity, and considering RDE configurations without and with stator. The LES model is validated against available experimental data for the low mass flux condition with respect to detonation wave speed/height, wave dynamics, and axial static pressure distribution. Numerical results indicate significant deflagrative combustion occurring in the fill region near the inner wall due to formation of recirculation zones in the injection near-field driven by the backward facing step. The leading detonation wave is found to be trailed by an azimuthal reflected-shock combustion (ARSC) wave, consistent with experimental observations, which consumes unburned vitiated reactants that leak through the main detonation wave. The main detonation wave characteristics, such as detonation wave speed/height and combustion efficiency, do not change appreciably with the presence of NGV. A novel combustion diagnostic technique based on chemical explosive mode analysis (CEMA) is employed to quantify the fraction of heat release occurring in the detonative mode versus deflagrative mode for the simulated conditions. The exit flow is found to be nearly fully subsonic and supersonic for the low and high mass flux conditions, respectively. Further analysis of the exit flow profiles shows that the presence of NGV renders the flow more axial and significantly impacts the exit Mach number and total pressure, while the total temperature shows negligible change. In addition, the low mass flux operating point, despite exhibiting more deflagrative losses within the combustor, yields overall lower pressure drop from plenum to exhaust, which is mainly attributed to lower pressure drop across the injectors. Lastly, the rotating detonation engine-nozzle guide vanes (RDE-NGV) configuration exhibits higher total pressure loss compared to rotating detonation engine (RDE) without stator across both the mass flux conditions. In conclusion, this study extends the state-of-the-art in numerical modeling of pressure gain combustion (PGC) systems by demonstrating high-fidelity 3D reacting LES of full-scale RDE-NGV systems relevant to RDE-turbine integration for stationary power generation.

Combustion↗

Electrochemical Mitigation of Corrosion in Molten Chloride Salts During CSP Plant Operation

We are designing an electrochemical flow-cell for removal of corrosive impurities from molten chloride salt Gen3 Concentrating Solar Power (CSP) plants during plant operation. Corrosive impurities will inevitably form in molten chloride salts upon exposure to air and moisture. We previously showed that even small amounts of these impurities, especially MgOHCl, will be detrimental in Gen3 CSP plants, necessitating prohibitively expensive containment alloys and frequent replacement of corroded components. Pre-purification of salt with Mg metal at temperatures above 650 degrees C is the current method for removing corrosive impurities from chloride salts before they are introduced to CSP systems. However, this is not a suitable method for impurity removal during plant operation. First, this method will produce MgO particulates which will damage plant components. Second, Mg metal is solid at the low temperature point (500 degrees C), so the purification will not proceed at a fast rate. At the high temperature point, Mg is soluble. In this case, fast purification may proceed, but dissolved metal is likely to precipitate out in cold-temperature point components, causing damage. In contrast, our electrochemically driven method allows fast Mg-based purification to proceed at the low temperature point, without formation of harmful particulates and without the risk of Mg metal precipitation. This novel approach is inspired by electrorefining techniques that are widely employed in industrial metallurgy for removal of impurities from metals. Impurities in the incoming molten salt will be reduced to inert MgO at the cathode, which can be removed by periodically washing the cell with acid. Simultaneously, Mg dissolution at the anode will ensure salt composition is maintained, with no net removal of Mg2+. We have validated this electrochemical approach at lab scale under static conditions with batch rectors. Furthermore, we have performed analytical modeling and technoeconomic analysis to produce a preliminary engineering design for the purification flow cell.

CSP↗