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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Energy Exascale Earth System Model v2.0.1

First patch release of v2.0.0 Changes since v2.0.0 [Important change] Fix ocean threading bug seen in debug cases on Chrysalis with Intel 20.0.4. Was introduced around time of v2.0.0 tag. Does not change v2.0.0 answers on Chrysalis because those didn't use threading or debugging. [EAM] Add semi-lagrangian tracer transport for theta-l (F90 and C++), add new algorithm for finding tropopause, add DSCREAM to allow v2 and SCREAM settings in same code such as adjust_ps [EAM-MMF] 60L default, allow C++ back end of RRTMGP (EAM too). [EAMxx] add nu-top functionality, fix forcing functor, add ttype9 and dcmip2012 tests 2.1, 2.2, and 3 HOMME: remove obsolete remap algs, option to specify dynamics alg indep of tracer, new sponge layer, add imex tests [ELM] Add topography-based subgrid (topounits), add FATES-ELM Nitro., Phos. and CH4 coupling, add land-use ts for NARRM, add lulc for SSP3 RCP7, Fix nutrient fertilization exp test and carbon isotope flux, Fix xactive lnd dry deposition, add lake water storage option, fix plant hydraulics 2d params, fix carbon budget calc, fix soil nutrient conc. bug, fix mosart dam bug, add test for new ELM, MOSART features, fix bug in O3 dry dep stomatal resistances, fix plant hydraulics restart BFB error, update mkmapdata. [MOSART] fix bug for reading the latitude from an unstructured input file, fix oversat in bubble test. [MPAS-ocean] Add CFC11, CFC12 tracers, add 2D spherical transport tests, fix del4 tracer mixing, add MARBL ocean tracer mixing, modify harmonic analysis options, add GPU port of vmix routines, fix calc of ML-averaged BV freq. [MPAS-seaice] Change extents of initial polar disks for oRRS18to6v3 grid, fix ice BGC with MARBL, update spherical test cases, fix DON coupling, Remove Cf from sea ice constants. [MPAS-landice] add CRYO1850-4xCO2 compset [CIME] add GCP, ANL GCE, Spock, Perlmutter, deprecate config_compilers.xml, fix and clean-up cmake macros, fix slurm bindings, refactor CIME internal testing, cleanup SCORPIO perf data, allow position independent compset naming, [also] update v2 benchmarking suite, extend e3sm_prod with throughput and memory checks

E3SM Project, DOE↗
DOE OSTI2024

A multi-Physics Experiment for Low-Yield Nuclear Explosion Monitoring

A series of multi-physics experiments, referred to as Physics Experiment 1 (PE1) is underway at the United States’ Nevada National Security Site (NNSS). The PE1 series includes detonations of three underground chemical explosions in P-tunnel, with fully coupled (PE1 A), partially decoupled (PE1 D L ), and fully decoupled (PE1 B) emplacements. Canisters with gas tracers are imbedded in the explosives, and the tracers are released when the canister is destroyed by the detonation. A dedicated electromagnetic (EM) experiment (EMX) generates well-characterized EM signals at an underground location near the chemical explosive experiments. A series of atmospheric experiments (METEX, REACT, and METREX) release smoke and radioactive tracers around Aqueduct Mesa to test gas transport in complex topography. Each of the chemical explosive experiments includes a network of sensors to record seismic, acoustic, and electromagnetic waves, measurement of atmospheric conditions, and air sample collection for measurement of tracer concentration. EMX records EM signals underground and on the surface of Aqueduct Mesa. METEX, REACT, and METREX include measurement of atmospheric condition, as well as tracking smoke releases. REACT and METREX add low-level radioactive gas tracers to the atmospheric releases.

58 GEOSCIENCES↗
DOE OSTI2024

DECOVALEX-2023: Task F1 Final Report

DECOVALEX-2023 Task F is a comparison of models and methods for post-closure performance assessment (PA) of a deep geologic repository for radioactive waste. The general aims of Task F are to build confidence in the models, methods, and software used for PA and to stimulate additional research and development in PA methodologies. The task objectives are to motivate development of PA modelling skills and capabilities, to examine the influence of model choices on calculated repository performance, and to compare the uncertainties introduced by model choices to other sources of uncertainty. Task F involves no actual experiment or site. It is a PA modelling exercise that requires the conceptual development of hypothetical repository designs and geologic settings. Because three of the teams were interested in salt and the rest of the teams were interested in crystalline rock, Task F was split into two branches: Task F1 for crystalline rock and Task F2 for salt. This report is for Task F1, crystalline rock. Teams from seven countries (Canada, Czech Republic, Germany, Korea, Sweden, Taiwan, and United States) participated in Task F1. The teams worked together to define the features, events, and processes of the reference case repository and established a set of performance measures. In addition, they defined a set of benchmark problems designed to test and compare modelling capabilities for fracture flow and transport at different scales. The repository design and benchmark problems are documented in a Task Specification that evolved over time as the group honed the specifications. The benchmark problems verified that each team can aptly model flow and transport in fractured media in 1-, 2-, and 3-dimensions. Two general approaches were used for the 3-dimensional benchmarks: discrete fracture network (DFN) and equivalent continuous porous medium (ECPM). DFN modelling involves explicit meshing of each fracture while ECPM modelling aims to capture the effective porosity and directional permeability of each cell in a space-filling mesh as affected by intersecting fractures. In some models, a combination of the two is used, i.e., DFN for large known fractures and ECPM for the rest of the domain. Transport is solved by using either the advection-dispersion equation or particle tracking. Although some variation is observed among model breakthrough curves in the benchmark problems, there is strong agreement in breakthrough behaviour up to at least the 75 th percentile for all benchmarks. At the 90 th percentile, breakthrough results show larger differences, suggesting several models retain substantially higher fractions of tracer in regions of slower moving water. In addition to the flow and transport benchmarks, several teams completed the source term benchmark, verifying capabilities for modelling radionuclide decay and ingrowth, waste package breach, instant release fractions, fuel matrix degradation rates, and radionuclide solubility limitations. The reference case is conceptualized as a generic spent fuel repository at a depth of 450 m in fractured crystalline rock. The repository has 50 parallel backfilled drifts, each with 50 deposition holes 6 m apart. Each deposition hole contains a 4-PWR waste package and bentonite buffer. The rock domain is 5 km in length, 2 km in width, and 1 km in depth. It has 6 deterministic fractured deformation zones and a multitude of stochastic fractures. Teams generally used the ECPM approach for the entire rock or a hybrid approach in which the deterministic fracture zones are modelled with a DFN and the rest of the rock is modelled by ECPM. Of the reference case problems specified, only the results of the initial reference case problem are compared in this report. The initial problem focuses on transport from the deposition holes to the surface, i.e., it neglects waste package performance. Tracers are released at all waste package locations at time zero and tracked for their releases to the near field and ground surface. The water fluxes calculated at the ground surface entry and exit regions of the domain are similar for all models except for two that have considerably lower fluxes. For tracer transport, large differences are observed among models in the magnitude of tracer transported. Much of the difference appears to be due to how the repository is implemented and hence the different degrees of repository simplification. Models that exclude the drifts, buffer, and backfill from the domain tend to show greater release of tracers and radionuclides from the repository. The initial study presented here indicates that major differences in modelling important processes within the repository (e.g., diffusion through buffer and backfill) can produce broadly different release and transport results, especially when those processes are excluded. Even for the models that included all specified features, events, and processes, the results show significant differences and demonstrate the importance of examining multiple modelling approaches in performance assessment. The differences in results observed in this study are expected to motivate teams to either increase complexity in future versions of the reference case models or to improve methods to account for the effects of simplified features and processes. Either way, future improvements in these models are expected to produce results that more closely agree.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

The Association of Age-Related and Off-Target Retention with Longitudinal Quantification of [ 18 F]MK6240 Tau PET in Target Regions

6-(fluoro- 18 F)-3-(1H-pyrrolo[2,3-c]pyridin-1-yl)isoquinolin-5-amine ([ 18 F]MK6240) tau PET tracer quantifies the brain tau neurofibrillary tangle load in Alzheimer disease. The aims of our study were to test the stability of common reference region estimates in the cerebellum over time and across diagnoses and evaluate the effects of age-related and off-target retention on the longitudinal quantification of [ 18 F]MK6240 in target regions. Methods: We assessed reference, target, age-related, and off-target regions in 125 individuals across the aging and Alzheimer disease spectrum with longitudinal [ 18 F]MK6240 SUVs and SUV ratios (SUVRs) (mean ± SD, 2.25 ± 0.40 y of follow-up). We obtained SUVR from meninges, exhibiting frequent off-target retention with [ 18 F]MK6240. Additionally, we compared tracer uptake between 37 cognitively unimpaired young (CUY) (mean age, 23.41 ± 3.33 y) and 27 cognitively unimpaired older (CU) adults (amyloid-β–negative and tau-negative, 58.50 ± 9.01 y) to identify possible nonvisually apparent, age-related signal. Two-tailed t testing and Pearson correlation testing were used to determine the difference between groups and associations between changes in region uptake, respectively. Results: Inferior cerebellar gray matter SUV did not differ on the basis of diagnosis and amyloid-β status, cross-sectionally and over time. [ 18 F]MK6240 uptake significantly differed between CUY and CU adults in the putamen or pallidum (affecting ~75% of the region) and in the Braak II region (affecting ~35%). Changes in meningeal and putamen or pallidum SUVRs did not significantly differ from zero, nor did they vary across diagnostic groups. We did not observe significant correlations between longitudinal changes in age-related or meningeal off-target retention and changes in target regions, whereas changes in all target regions were strongly correlated. Conclusion: Inferior cerebellar gray matter was similar across diagnostic groups cross-sectionally and stable over time and thus was deemed a suitable reference region for quantification. Despite not being visually perceptible, [ 18 F]MK6240 has age-related retention in subcortical regions, at a much lower magnitude but topographically colocalized with significant off-target signal of the first-generation tau tracers. The lack of correlation between changes in age-related or meningeal and target retention suggests little influence of possible off-target signals on longitudinal tracer quantification. Nevertheless, the age-related retention in the Braak II region needs to be further investigated. Future postmortem studies should elucidate the source of the newly reported age-related [ 18 F]MK6240 signal, and in vivo studies should further explore its impact on tracer quantification.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
NASA NTRS1998

NO(x) Concentrations in the Upper Troposphere as a Result of Lightning

Upper tropospheric NO(x) controls, in part, the distribution of ozone in this greenhouse-sensitive region of the atmosphere. Many factors control NO(x) in this region. As a result it is difficult to assess uncertainties in anthropogenic perturbations to NO from aircraft, for example, without understanding the role of the other major NO(x) sources in the upper troposphere. These include in situ sources (lightning, aircraft), convection from the surface (biomass burning, fossil fuels, soils), stratospheric intrusions, and photochemical recycling from HNO3. This work examines the separate contribution to upper tropospheric "primary" NO(x) from each source category and uses two different chemical transport models (CTMS) to represent a range of possible atmospheric transport. Because aircraft emissions are tied to particular pressure altitudes, it is important to understand whether those emissions are placed in the model stratosphere or troposphere and to assess whether the models can adequately differentiate stratospheric air from tropospheric air. We examine these issues by defining a point-by-point "tracer tropopause" in order to differentiate stratosphere from troposphere in terms of NO(x) perturbations. Both models predict similar zonal average peak enhancements of primary NO(x) due to aircraft (approx. = 10-20 parts per trillion by volume (pptv) in both January and July); however, the placement of this peak is primarily in a region of large stratospheric influence in one model and centered near the level evaluated as the tracer tropopause in the second. Below the tracer tropopause, both models show negligible NO(x) derived directly from the stratospheric source. Also, they predict a typically low background of 1 - 20 pptv NO(x) when tropospheric HNO3 is constrained to be 100 pptv of HNO3. The two models calculate large differences in the total background NO(x) (defined as the source of NO(x) from lightning + stratosphere + surface + HNO3) when using identical loss frequencies for NO(x). This difference is primarily due to differing treatments of vertical transport. An improved diagnosis of this transport that is relevant to NO(x) requires either measurements of a surface-based tracer with a substantially shorter lifetime than Rn-222 or diagnosis and mapping of tracer correlations with different source signatures. Because of differences in transport by the two models we cannot constrain the source of NO(x) from lightning through comparison of average model concentrations with observations of NO(x).

Penner, Joyce E.↗
NASA NTRS1999

Statistical Perspectives on Stratospheric Transport

Long-lived tropospheric source gases, such as nitrous oxide, enter the stratosphere through the tropical tropopause, are transported throughout the stratosphere by the Brewer-Dobson circulation, and are photochemically destroyed in the upper stratosphere. These chemical constituents, or "tracers" can be used to track mixing and transport by the stratospheric winds. Much of our understanding about the stratospheric circulation is based on large scale gradients and other spatial features in tracer fields constructed from satellite measurements. The point of view presented in this paper is different, but complementary, in that transport is described in terms of tracer probability distribution functions (PDFs). The PDF is computed from the measurements, and is proportional to the area occupied by tracer values in a given range. The flavor of this paper is tutorial, and the ideas are illustrated with several examples of transport-related phenomena, annotated with remarks that summarize the main point or suggest new directions. One example shows how the multimodal shape of the PDF gives information about the different branches of the circulation. Another example shows how the statistics of fluctuations from the most probable tracer value give insight into mixing between different regions of the atmosphere. Also included is an analysis of the time-dependence of the PDF during the onset and decline of the winter circulation, and a study of how "bursts" in the circulation are reflected in transient periods of rapid evolution of the PDF. The dependence of the statistics on location and time are also shown to be important for practical problems related to statistical robustness and satellite sampling. The examples illustrate how physically-based statistical analysis can shed some light on aspects of stratospheric transport that may not be obvious or quantifiable with other types of analyses. An important motivation for the work presented here is the need for synthesis of the large and growing database of observations of the atmosphere and the vast quantities of output generated by atmospheric models.

Sparling, L. C.↗
NASA NTRS1998

Ocean Turbulence V: Mesoscale Modeling in Level Coordinates. The Effect of Random Nature of Density

The main result of this paper is the derivation of a new expression for the tracer subgrid term in level coordinates S(l) to be employed in O-GCM. The novel feature is the proper account of the random nature of the density field which strongly affects the transformation from isopycnal to level coordinates of the variables of interest, velocity and tracer fields, their correlation functions and ultimately the subgrid terms. In deriving our result we made use of measured properties of vertical ocean turbulence. The major new results are: 1) the new subgrid expression is different from that of the heuristic GM model, 2) u++(tracer)=1/2u+(thickness), where u++ and u+ are the tracer and thickness bolus velocities. In previous models, u++ = u+, 2) the subgrid for a tracer tau is not the same as that for the density rho even when one accounts for the obvious absence of a diffusion term in the latter. The difference stems from a new treatment of the stochastic nature of the density, 3) the mesoscale diffusivity enters both locally and non-locally, as the integral over all z's from the bottom of the ocean to the level z.

Canuto, V. M.↗
NASA NTRS1999

Transport Experiments

MM II defined a series of experiments to better understand and characterize model transport and to assess the realism of this transport by comparison to observations. Measurements from aircraft, balloon, and satellite, not yet available at the time of MM I [Prather and Remsberg, 1993], provide new and stringent constraints on model transport, and address the limits of our transport modeling abilities. Simulations of the idealized tracers the age spectrum, and propagating boundary conditions, and conserved HSCT-like emissions probe the relative roles of different model transport mechanisms, while simulations of SF6 and C02 make the connection to observations. Some of the tracers are related, and transport diagnostics such as the mean age can be derived from more than one of the experiments for comparison to observations. The goals of the transport experiments are: (1) To isolate the effects of transport in models from other processes; (2) To assess model transport for realistic tracers (such as SF6 and C02) for comparison to observations; (3) To use certain idealized tracers to isolate model mechanisms and relationships to atmospheric chemical perturbations; (4) To identify strengths and weaknesses of the treatment of transport processes in the models; (5) To relate evaluated shortcomings to aspects of model formulation. The following section are included:Executive Summary, Introduction, Age Spectrum, Observation, Tropical Transport in Models, Global Mean Age in Models, Source-Transport Covariance, HSCT "ANOY" Tracer Distributions, and Summary and Conclusions.

Hall, Timothy M.↗
NASA NTRS2019

Emissions Relationships in Western Forest Fire Plumes: I. Reducing the Effect of Mixing Errors on Emission Factors

Studies of emission factors from biomass burning using aircraft data complement the results of lab studies and extend them to conditions of immense hot conflagrations. We illustrate and discuss emission relationships for 422 individual samples from many forest-fire plumes in the Western US. The samples are from two NASA investigations: ARCTAS (Arctic Research of the Composition of the Troposphere from Aircraft and Satellites) and SEAC4RS (Studies of Emissions and Atmospheric Composition, Clouds, and Climate Coupling by Regional Surveys). This work provides sample-by-sample enhancement ratios (EnRs) for 23 gases and particulate properties. Many EnRs provide candidates for emission ratios (ERs, corresponding to the EnR at the source) when the origin and degree of transformation is understood and appropriate. From these, emission factors (EFs) can be estimated when the fuel dry mass consumed is known or can be estimated using the carbon mass budget approach. This analysis requires understanding the interplay of mixing of the plume with surrounding air. Some initial examples emphasize that measured C(tot) = CO2 + CO in a fire plume does not necessarily describe the emissions of the total carbon liberated in the flames, C(burn). Rather, it represents C(tot) = C(burn) + C(bkgd), which includes possibly varying background concentrations for entrained air. Consequently, we present a simple theoretical description for plume entrainment for multiple tracers from flame to hundreds of kilometers downwind and illustrate some intrinsic linear behaviors. The analysis suggests a Mixed Effects Regression Emission Technique (MERET), which can eliminate occasional strong biases associated with the commonly used normalized excess mixing ratio (NEMR) method. MERET splits C(tot) to reveal C(burn) by exploiting the fact that C(burn) and all tracers respond linearly to dilution, while each tracer has consistent EnR behavior (slope of tracer concentration with respect to C(burn)). The two effects are separable. Two or three or preferably more emission indicators are required as a minimum; here we used ten. Limited variations in the EnRs for each tracer can be incorporated and the variations and co-variations analyzed. The percentage CO yield (or the modified combustion efficiency) plays some role. Other co-relationships involving nitrogen and organic classes are more prominent; these have strong relationships to the C(burn) to O3 emission relationship. In summary, MERET allows fine spatial resolution (EnRs for individual observations) and comparison of similar plumes distant in time and space. Alkene ratios provide us with an approximate photochemical timescale. This allows discrimination and definition, by fire situation, of ERs, allowing us to estimate emission factors.

Chatfield, Robert B.↗
DOE OSTI2020

Tracking Radioactive Isotopes in HVAC and Application for Hot Cell Analyses - 20155

In recent years, the surge in the number of isotope production facilities under design has increased the need to analyze isotope migration in facility Heating, Ventilation, and Air Conditioning (HVAC) during normal operations and accident scenarios. These facilities are used to produce isotopes for medical, security, and industrial applications and as such are subject to license and regulatory requirements 10CFR20, 10CFR30, 10CFR50, and 10CFR70. GOTHIC, a general-purpose thermal-hydraulics software package, includes the ability to model isotopic tracers, radioactive decay and isotope migration as well as HEPA and charcoal filters for isotope retention. A GOTHIC model was developed by Zachry Nuclear Engineering (ZNE) to examine the effect of negative room pressure, HEPA filtration, and HVAC fluctuations on radiation areas, hot cells and gloveboxes. Radioactive tracers were used to simulate the concentration of spills within contaminated areas, track the migration of isotopes of interest, and determine the isotopic retention and buildup on facility HEPA filters. A variety of isotopes with concern to dose (e.g., Kr-85, Sr-90, I-131, etc.), including their decay and progeny, are included in the analysis. Negative pressures are maintained in the regions of interest by a representative central HVAC system equipped with a volumetric fan that exhausts to the environment after a series of isolation valves and HEPA filters. GOTHIC is an industry trusted tool for providing engineering solutions for a variety of applications, including fission product tracking, aerosol and particulate transport and ventilation assessments. The software provides an integrated analysis environment that includes a graphical user interface (GUI) for constructing analysis models, a numerical solver that includes parallel processing capabilities and a post-processor for evaluating simulation results. It solves the conservation equations for mass, momentum and energy for multicomponent, multi-phase flow in lumped parameter and multi-dimensional geometries (1, 2, or full 3D), including the effects of turbulence, diffusion and buoyancy. It has been developed and maintained under a Quality Assurance program in compliance with the requirements of 10CFR50 Appendix B and applicable portions of ASME NQA-1 since 1995. GOTHIC has been used for assessing both forced and natural convection conditions for a wide range of applications, including: - Tracking concentration of hazardous gases and chemicals for habitability and safety assessments - Determining ventilation and filtration requirements and optimizing location and arrangement of these systems - Room heat-up, including diverse and Flexible coping strategies for Extended Loss of AC Power (FLEX/ELAP) - Equipment Qualification (EQ) A distinctive feature of GOTHIC is the ability to track many different fields/substances in a simulation, including user defined tracer elements, in the liquid, vapor and droplet fields as well as surfaces and filters. This capability allows GOTHIC to model fission product transport and release or the removal of particulates or harmful toxins from exhaust gases using a spray scrubber or other types of filtration systems. GOTHIC also includes models for engineered equipment, such as fans, filters, charcoal filters, dryers/demisters, dampers, etc. The aerosols and other filtered material are removed or accumulated in these components. The range of aerosol and radiological applications that GOTHIC has been used for includes: - Source Term: Primary Coolant (Equilibrium) Activity; Non-Water Coolant Source/Leakage. - Conditions for Iodine Re-evolution: Sump/Suppression Pool Conditions and pH; - RWST Conditions and pH. - Isotope Removal Mechanisms: Containment Sprayed and Unsprayed Region Mixing; Charcoal Filter Heating due to Iodine decay. - Radionuclide Transport and Decay: Post-LOCA Release in containment; Transport between connected Compartments and vent systems; Groundwater transport of radionuclides. - Non-Newtonian Fluid modeling for sludge, waste tanks, etc. ADAMS ML071581053 (titled 'Best Practice Guidelines for the use of CFD in Nuclear Reactor Safety Applications') poses guidelines for applying single phase CFD codes in nuclear reactor safety problems and GOTHIC is listed as a 'tool for 3D flows' and 'dispersal and deposition of radionuclides.' The Nuclear Quality Assurance (NQA) pedigree of GOTHIC is an important aspect for applications in the nuclear industry. The fundamental tracer models (convective transport, molecular and turbulent diffusion, removal mechanisms, etc.) have been verified using analytical solutions and validated against applicable separate effects tests. Also, GOTHIC has been benchmarked to many integrated effects tests, including Phebus FP (Fission Product). GOTHIC gives good agreement for the buildup and decay of fission products in Phebus Test 3. The model developed by ZNE demonstrates GOTHIC's applicability and acceptability for use in analyzing the migration and retention of radioactive isotopes and their progeny in normal operation and accident scenario analyses for isotope production facilities, hot cells, and gloveboxes. The tracer activities calculated by GOTHIC can then be used in downstream radiation transport and shielding codes like RADTRAD-NAI{sup C}, MCNP{sup R}, and MicroShield{sup R} to determine on-site and of-site doses. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Capturing plume behavior in complex terrain: an overview of the Nevada National Security Site Meteorological Experiment (METEX21)

METEX21 was an atmospheric tracer release experiment executed at the Department of Energy’s Nevada National Security Site (NNSS) in the southwestern U.S to study terrain-induced wind and thermodynamic conditions that influence local-scale (<5-km) plume transport under varying atmospheric forcing conditions. Meteorological observations were collected using 10-m tall meteorological towers, 2-m tall tripods with 3-d sonic anemometers, a 3-m tall eddy covariance flux tower, Doppler profiling lidars, Doppler scanning lidars, weather-balloon launched radiosondes, and a tethered balloon equipped with wind, temperature, and aerosol sensors at heights up to 800 m. A smoke tracer was released along three transects in the horizontal and vertical directions and observed with video cameras, aerosol sensors and lidars (via aerosol backscatter). The observations showed evidence of large-scale/synoptic transience as well as local-scale upslope and downslope flows, along-axis valley flows, recirculation eddies on leeward slopes, and periods of strong shear and veer aloft. The release days were classified as either synoptically-driven or locally-driven, and a single case day is presented in detail for each. Synoptically-forced days show relatively narrow smoke plumes traveling down the valley from north to south (with the predominant wind direction), with little deviation in transport direction regardless of the elevation or ground locations of the smoke releases, except near the presence of leeside recirculation eddies. Locally-forced days exhibit a wider range of plume behavior due to the combination of thermally-induced valley and slope flows, which are often flowing in different cardinal directions, and wind shear found aloft at higher altitudes and elevations. We saw evidence of smoke lofting on top of the mesas due to strong upslope flows on these days. A major finding of this experiment was the effectiveness of scanning lidars to measure 2-dimensional plume transport out to a 2–3 km distance; much farther than could be visibly observed. METEX21 was the first of three planned tracer experiments at NNSS, and future experiments will incorporate multiple tracers to improve individual plume identification so that finer resolution flow details can be attained from these measurements, as well as deploy a larger suite of meteorological instrumentation, including more temperature profiling data.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Positron emission tomography harmonization in the Alzheimer's Disease Neuroimaging Initiative: A scalable and rigorous approach to multisite amyloid and tau quantification

Abstract INTRODUCTION A key goal of the Alzheimer's Disease NeuroImaging Initiative (ADNI) positron emission tomography (PET) Core is to harmonize quantification of β‐amyloid (Aβ) and tau PET image data across multiple scanners and tracers. METHODS We developed an analysis pipeline (Berkeley PET Imaging Pipeline, B‐PIP) for ADNI Aβ and tau PET images and applied it to PET data from other multisite studies. Steps include image pre‐processing, refacing, magnetic resonance imaging (MRI)/PET co‐registration, visual quality control (QC), quantification of tracer uptake, and standardization of Aβ and tau standardized uptake value ratios (SUVrs) across tracers. RESULTS Measurements from 10,105 cross‐sectional and longitudinal Aβ and tau PET scans acquired in several studies between 2010 and 2024 can be processed, harmonized, and directly merged across tracers and cohorts. DISCUSSION The B‐PIP developed in ADNI is a scalable image harmonization approach used in several observational studies and clinical trials that facilitates rigorous Aβ and tau PET quantification and data sharing. Highlights Quantitative results from ADNI Aβ and tau PET data are generated using a rigorous, scalable image processing pipeline This pipeline has been applied to PET data from several other large, multisite studies and trials Quantitative outcomes are harmonizable across studies and are shared with the scientific community

Neurosciences & Neurology↗
DOE OSTI2025

Calibration of multisite raters for prospective visual reads of amyloid PET scans

Abstract INTRODUCTION In multicenter Alzheimer's disease studies, amyloid positron emission tomography (PET) visual reads are typically performed centrally by a few experts. Incorporating a broader reader network enhances scalability and generalizability. METHODS Ten neuroimaging experts from eight Alzheimer's Disease Research Centers (ADRCs) visually read 180 amyloid PET scans (30 scans and 15 duplicate scans for each of four tracers, imaged across a wide variety of scanners), using preferred reading software without anatomical imaging or quantitation. Scans were classified as elevated or non‐elevated per tracer‐specific criteria. Inter‐ and intra‐rater agreement was assessed. RESULTS Inter‐rater agreement was substantial (Fleiss’κ = 0.78), with full consensus on 69% of scans. Inter‐rater reliability was substantial to perfect across tracers (Fleiss’κ = 0.70–0.87). Intra‐rater agreement was substantial to perfect (Cohen'sκ = 0.79‐1). Scans with intermediate (10–40 Centiloid) quantitation had lower reader agreement. DISCUSSION A multicenter expert network achieved substantial agreement classifying amyloid PET scans. These scans provide a standard for reader training and reliability assurance in future studies. Highlights Calibration methods ensure reliable amyloid positron emission tomography (PET) visual reads across multiple raters. Substantial agreement is possible across readers using their preferred tools. Agreement is also substantial regardless of the amyloid PET tracer used. Scans with intermediate (10–40 Centiloid) quantitation have lower reader agreement. The calibration set will become a training tool for amyloid PET visual read studies.

Neurosciences & Neurology↗
DOE OSTI2021

Tomographic X-ray particle tracking velocimetry

We investigate the feasibility of in-laboratory tomographic X-ray particle tracking velocimetry (TXPTV) and consider creeping flows with nearly density matched flow tracers. Specifically, in these proof-of-concept experiments we examined a Poiseuille flow, flow through porous media and a multiphase flow with a Taylor bubble. For a full 360° computed tomography (CT) scan we show that the specially selected 60 micron tracer particles could be imaged in less than 3 seconds with a signal-to-noise ratio between the tracers and the fluid of 2.5, sufficient to achieve proper volumetric segmentation at each time step. In the pipe flow, continuous Lagrangian particle trajectories were obtained, after which all the standard techniques used for PTV or PIV (taken at visible wave lengths) could also be employed for TXPTV data. And, with TXPTV we can examine flows inaccessible with visible wave lengths due to opaque media or numerous refractive interfaces. In the case of opaque porous media we were able to observe material accumulation and pore clogging, and for flow with Taylor bubble we can trace the particles and hence obtain velocities in the liquid film between the wall and bubble, with thickness of liquid film itself also simultaneously obtained from the volumetric reconstruction after segmentation. While improvements in scan speed are anticipated due to continuing improvements in CT system components, we show that for the flows examined even the presently available CT systems could yield quantitative flow data with the primary limitation being the quality of available flow tracers.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Incorporating geological structure into sensitivity analysis of subsurface contaminant transport

Simulating subsurface contaminant transport at the kilometer-scale often entails modeling reactive flow and transport within and through complex geologic structures. These structures are typically meshed by hand and as a result geologic structure is usually represented by one or a few deterministically generated geological models for uncertainty studies of flow and transport in the subsurface. Uncertainty in geologic structure can have a significant impact on contaminant transport. In this study, the impact of geologic structure on contaminant tracer transport in a shale formation is investigated for a simplified generic deep geologic repository for permanent disposal of spent nuclear fuel. An open-source modeling framework is used to perform a sensitivity analysis study on transport of two tracers from a generic spent nuclear fuel repository with uncertain location of the interfaces between the stratum of the geologic structure. The automated workflow uses sampled realizations of the geological structural model in addition to uncertain flow parameters in a nested sensitivity analysis. Concentration of the tracers at observation points within, in line with, and downstream of the repository are used as the quantities of interest for determining model sensitivity to input parameters and geological realization. Finally, the results of the study indicate that the location of strata interfaces in the geological structure has a first-order impact on tracer transport in the example shale formation, and that this impact may be greater than that of the uncertain flow parameters.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Radionuclide transport in fractured chalk under abrupt changes in salinity

Internationally, it has been agreed that geologic repositories for spent fuel and radioactive waste are considered the internationally agreed upon solution for intermediate and long-term disposal. In countries where traditional nuclear waste repository host rocks (e.g., clay, salt, granite) are not available, other low permeability lithologies must be studied. Here, chalk is considered to determine its viability for disposal. Despite chalk's low bulk permeability, it may contain fracture networks that can facilitate radionuclide transport. In arid areas, groundwater salinity may change seasonally due to the mixing between brackish groundwater and fresh meteoric water. Such salinity changes may impact the radionuclides' mobility. In this study, radioactive U(VI) and radionuclide simulant tracers (Sr, Ce and Re) were injected into a naturally fractured chalk core. The mobility of tracers was investigated under abrupt salinity variations. Two solutions were used: a low ionic strength (IS) artificial rainwater (ARW; IS ~0.002) and a high IS artificial groundwater (AGW; IS ~0.2). During the experiments, the tracers were added to ARW, then the carrier was changed to AGW, and vice versa. Ce was mobile only in colloidal form, while Re was transported as a conservative tracer. Both Re and Ce demonstrated no change in mobility due to salinity changes. In contrast, U and Sr showed increased mobility when AGW was introduced and decreased mobility when ARW was introduced into the core. These experimental results, supported by reactive transport modeling, suggest that saline groundwater solutions promote U and Sr release via ion-exchange and enhance their migration in fractured chalk. Here the study emphasizes the impact of salinity variations near spent fuel repositories and their possible impact on radionuclide mobility.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2020

Natural and Anthropogenically Influenced Isoprene Oxidation in Southeastern United States and Central Amazon

Anthropogenic emissions alter secondary organic aerosol (SOA) formation chemistry from naturally emitted isoprene. Here, we use correlations of tracers and tracer ratios to provide new perspectives on sulfate, NO x , and particle acidity influencing isoprene-derived SOA in two isoprene-rich forested environments representing clean to polluted conditions-wet and dry seasons in central Amazonia and Southeastern U.S. summer. We used a semivolatile thermal desorption aerosol gas chromatograph (SV-TAG) and filter samplers to measure SOA tracers indicative of isoprene/HO 2 (2-methyltetrols, C5-alkene triols, 2-methyltetrol organosulfates) and isoprene/NO x (2-methylglyceric acid, 2-methylglyceric acid organosulfate) pathways. Summed concentrations of these tracers correlated with particulate sulfate spanning three orders of magnitude, suggesting that 1 μg m -3 reduction in sulfate corresponds with at least ~0.5 μg m -3 reduction in isoprene-derived SOA. We also find that isoprene/NO x pathway SOA mass primarily comprises organosulfates, ~97% in the Amazon and ~55% in Southeastern United States. We infer under natural conditions in high isoprene emission regions that preindustrial aerosol sulfate was almost exclusively isoprene-derived organosulfates, which are traditionally thought of as representative of an anthropogenic influence. We further report the first field observations showing that particle acidity correlates positively with 2-methylglyceric acid partitioning to the gas phase and negatively with the ratio of 2-methyltetrols to C 5 -alkene triols.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Using SF 6 and Xe to Monitor Gas Migration Through Explosion-Generated Fracture Networks

Here we describe a field study where tracer gas was injected into a subsurface cavity created by a small chemical explosion beneath the water table. The main objective of the study is to compare the migration of sulfur hexafluoride (SF 6 ) and xenon (Xe) through an explosion-generated fracture network and to study the influence of ground water on gas transport. A mixture of tracer gases (50% of SF 6 and 50% of Xe) was injected on 31 October 2018 and gas sampling continued until 8 November 2018. We observe similar trends in SF 6 and Xe concentrations at four ground surface sampling sites. The changes in the SF 6 /Xe ratios with time show that more SF 6 than Xe is observed during the barometric pressure lows when the absolute measured concentrations are highest. Conversely, the ratio SF 6 /Xe is less than 1 during the high-pressure intervals when absolute measured concentrations are low. The results of the experiment suggest that during barometric pressure lows the tracer is migrating to the surface primarily by advective gas phase transport, whereas during barometric pressure highs, advection is suppressed and near-surface evaporation of interstitial pore fluid with tracer dissolved in it becomes more important. Thus, the results of the experiment show that the gas concentrations at the surface are controlled by the combined effects of the gas dissolution into pore water and the barometric pressure fluctuations.

58 GEOSCIENCES↗