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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Optimization of fluorescence and surface adsorption of citric acid/ethanolamine carbon nanoparticles for subsurface tracers

The tunable fluorescence and biocompatibility of fluorescent carbon nanoparticles (FCNs) makes them appealing tracers in geothermal, environmental, and clinical applications. Here, we address FCNs synthesized from reaction and pyrolysis of citric acid and ethanolamine. We examine the fluorescence and the adsorption of these FCNs as critical parameters that influence their use in applications. FCN fluorescence was observed to develop during pyrolysis and measured at pyrolysis temperatures ranging from 190 to 250 °C. Transmission electron microscopy shows that the FCN average diameter of approximately 13 nm is unaffected by pyrolysis temperature. However, pyrolysis temperature strongly affects fluorescence, which peaks at 210 °C. Here, the surface hydrophobicity of the FCNs increases with pyrolysis temperature as measured by retention on reverse phase chromatography. Together, these results suggest that particle surface functionalities provide both fluorescence and hydrophilicity, and that these surface functionalities are destroyed with excessive pyrolysis. To examine their surface adsorption, quartz crystal microbalance measurements demonstrate that pyrolysis temperature increases FCN adsorption on mineral surfaces. Surfaces with greater hydrophobicity show greater FCN adsorption. Adsorption is unaffected by the presence of mono- or divalent ions in solution. This suggests adsorption by hydrophobic interaction for the Fe 2 O 3 , SiO 2 , and AlSiO surfaces studied.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Ca-isotopes as a robust tracer of magmatic differentiation

The large mass difference (~10%) between the two most abundant isotopes of calcium, 40 Ca and 44 Ca, gives Ca great potential in tracking mass-dependent fractionation during magmatic processes. Resolvable Ca-isotope fractionation during fractional crystallization of magma, particularly by feldspar in evolved melts, has been theoretically inferred but not robustly tested in nature. To further explore the effects of magmatic differentiation on Ca-isotope systematics, we studied the late-Permian alkaline igneous suite of the Øyangen Caldera, Oslo Rift, Norway, consisting of volcanic and intrusive units ranging from basanitic to rhyolitic compositions. Major and trace element variations and modeling demonstrate that the main series of samples (N = 21), including basanites, ring-dyke syenites, and central-dome syenites, likely documents a co-genetic and closed-system fractional crystallization sequence. Our data show minimal δ 44/40 Ca variation (< 0.05 ‰) in the intermediate magma and a marked increase in δ 44/40 Ca in the felsic magma of the Øyangen Caldera (from 0.62 ± 0.02 ‰ to 1.15 ± 0.03 ‰ relative to Ca standard, SRM915a). The systematic increase is best explained by equilibrium isotopic fractionation dominated by alkali feldspar in the fractionating mineral assemblage. This is further supported by strong correlations between δ 44/40 Ca, CaO, and Eu/Eu* in the main-series samples. Implementing a Monte Carlo approach, isotopic modeling of the liquid line of descent using Rayleigh fractionation is highly consistent with the observed Ca-isotope evolution. For the first time, we confirm prominent Ca stable isotope fractionation in felsic-stage differentiation of alkaline magma and constrain the isotope fractionation factors of plagioclase and K-feldspar. Integrated with extant estimations on mineral fractionation factors from the literature, our results suggest increasing fractionation effects of rock-forming minerals with decreasing Ca content. Finally, the affirmation of significant Ca-isotope fractionation in alkaline magma by feldspar empowers the application of Ca as a versatile tracer of crustal evolution, allowing further tests in other magmatic conditions across various planetary objects.

58 GEOSCIENCES↗
DOE OSTI2024

Hydrologic connectivity and dynamics of solute transport in a mountain stream: Insights from a long-term tracer test and multiscale transport modeling informed by machine learning

The movement of solutes in a watershed is a complex process with multiple interactions and feedbacks across spatial and temporal scales. Modeling the dynamics of solute transport along diverse hydrologic pathways within watersheds – from hillslopes to stream channels and in and out of the hyporheic zones – is challenging but critically important, as these processes integrate and contribute to the biogeochemical functioning of the river corridor up to the river network scale. Here we use results from a long-term network-scale tracer test at the H.J. Andrews experimental forest in western Cascade Mountains, Oregon, USA to inform a multiscale framework for transport in stream corridors. The framework uses a Lagrangian-based subgrid model to represent the effects of hyporheic exchange flow and advective transport at stream network scales. The spatially and temporally resolved stream discharge needed for the transport model is imputed across the river system by an entity-aware long short-term memory network. Modeled concentrations show good agreements with the observations and exhibit power scaling laws indicative of a very wide range of timescales over which hyporheic exchange flow occurs. Our results demonstrate a data-informed modeling framework that links dynamical processes occurring at small scales to a network context to help understand how changes at reach scale cascade into network-scale effects, providing a useful tool for sustainable river basin management.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Simplified Method for the In Situ Collection and Laboratory Analysis of Cosmogenic Tracers (Sulfur-35 and Sodium-22) to Determine Residence Time Distributions and Water Ages

The use of cosmogenically produced sulfur-35 (T 1/2 = 87 days) and sodium-22 (T 1/2 = 2.6 years) as intrinsic tracers can provide valuable information on catchment hydrology, flow paths, and subsurface storage. A new and straightforward method was created to determine the activities of both 35 S and 22 Na in various water sources by pumping large volumes (up to 1000 L) of water through cation- and anion-exchange resin columns in the field to collect sodium and sulfate ions and simple chemistry in the lab. Samples are counted for 35 S using liquid scintillation counting (LSC) and for 22 Na via γ spectroscopy. Our novel in situ method provides faster sample throughput as well as better counting statistics and lower detection limits. Both methods were successfully applied at the Southern Sierra Critical Zone Observatory.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

The Contribution of Subtropical Moisture Within an Atmospheric River on Moisture Flux, Cloud Structure, and Precipitation Over the Salmon River Mountains of Idaho Using Moisture Tracers

The impact of an atmospheric river (AR) on the flux of subtropical moisture across Idaho's Salmon River Mountains and precipitation over the mountains is evaluated using the Weather, Research, and Forecasting model with water vapor tracers (WRF-WVT). The AR impacted Idaho between 17 and 19 January 2017 during the Seeded and Natural Orographic Wintertime Clouds: The Idaho Experiment (SNOWIE) campaign. WRF-WVT is configured to isolate the subtropical moisture contribution to the AR, the moisture flux, and precipitation. Subtropical water vapor advected by the AR into Idaho is tagged and tracked in three-dimensional space throughout the run. This allows the contribution of the subtropical moisture to the vertical distribution of water vapor and the precipitation to be directly calculated. The simulated cloud structure is compared with airborne radar data collected during two SNOWIE intensive operation periods. This study found that more than 70% of the moisture flux and more than 80% of the precipitation across the Idaho Mountains during SNOWIE IOP 4 could be attributed to subtropical moisture within the AR. Nearly all of the moisture flux in the upper cloud and 50% of the moisture in the lower cloud was attributable to the subtropical moisture. The subtropical moisture contribution within the AR to precipitation ranged from 35% in northern Idaho to more than 90% in southern Idaho. Across the entire period of impact of the AR, more than 60% of precipitation in Idaho was attributable to the subtropical moisture within the AR, with this percentage increasing toward the south across the state.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Characterizing Greater Houston's Aerosol by Air Mass During TRACER

During the TRacking Aerosol and Convection interaction ExpeRiment (TRACER), a suite of aerosol and cloud measurements were made using the Texas A&M Rapid Onsite Atmospheric Measurement Van (ROAM-V) mobile instrument platform. Joint ROAM-V/radiosonde deployments focused on sampling polluted marine and continental air masses to understand summertime convection along and across the sea-breeze front as it propagated through Houston. The polluted marine air mass at Seawolf Park, Galveston, TX was defined by two characteristic aerosol populations. Although the background total particle concentrations averaged 2,500 cm −3 , the air mass was also influenced by frequent but irregular periods of ship emission with significantly higher aerosol concentrations at times exceeding 34,000 cm −3 . Ship emission influenced periods, typically lasting <10 min, contained smaller, less hygroscopic particles resulting in a 69% relative decline in cloud condensation nuclei (CCN) activated fraction at 1% supersaturation compared to background periods. Measurements in continental air masses northwest of Houston revealed an average aerosol concentration of 5,208 cm −3 with a κ value near 0.1 reasonably describing the CCN population, independent of particle size. In continental air masses, substantial differences in particle size and CCN activation over small distances (<42 miles between sites) suggest considerable site-to-site variability in addition to the expected day-to-day differences. This small-scale variability makes it difficult to generalize continental air mass aerosol properties. Both coastal and inland locations had effective ice nucleating particles, but inland deployments observed the warmest nucleation temperature at −15.6°C compared to −17.8°C close to the coast. These measurements can reduce uncertainties in regional convection allowing models to improve understanding of aerosol-cloud interactions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Predicting multiphase flow and tracer transport for an underground chemical explosive test

Detecting radionuclide gas seepage from clandestine underground nuclear tests is central to nonproliferation explosion monitoring research. Yet, early-time (<6 day) gas transport driven by the explosive pressure wave remains poorly constrained due to scarcity of field data. We simulate multi-phase gas transport in the vadose zone using pre-shot data from a recent chemical explosion in P-Tunnel at the Nevada National Security Site, USA. Despite using a simplified 2D-radial model, predictions of tracer arrival matched observations within one order-of-magnitude. Our results show how transient blast forcing rapidly mobilizes gases from the cavity into surrounding rock – critical for optimizing sensor placement and test planning. This unique integration of field data and modeling represents a significant improvement in our ability to predict gas migration from underground explosions. More broadly, it offers insights into the coupled dynamics of pressure waves and contaminant transport in the vadose zone, with implications for monitoring and hazard assessment.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

A novel method to measure ion density in ICF experiments using x-ray spectroscopy of cylindrical tracers

The indirect drive approach to inertial confinement fusion has undergone important advances in the past few years. Improvements in temperature and density diagnostic methods are leading to more accurate measurements of the plasma conditions inside the Hohlraum and therefore to more efficient experimental designs. The implementation of dot spectroscopy has proven to be a versatile approach to extracting space- and time-dependent electron temperatures. In this method, a microdot of a mid-Z material is placed inside the Hohlraum and its K-shell emission spectrum is used to determine the plasma temperature. However, radiation transport of optically thick lines acting within the cylindrical dot geometry influences the outgoing spectral distribution in a manner that depends on the viewing angle. This angular dependence has recently been studied in the high energy density regime at the OMEGA laser facility, which allowed us to design and benchmark appropriate radiative transfer models that can replicate these geometric effects. By combining these models with the measurements from the dot spectroscopy experiments at the National Ignition Facility, we demonstrate here a novel technique that exploits the transport effects to obtain time-resolved measurements of the ion density of the tracer dots, without the need for additional diagnostics. Furthermore, we find excellent agreement between experiment and simulation, opening the possibility of using these geometric effects as a density diagnostic in future experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Understanding aerosol properties in convective outflows during TRACER

Convective outflow boundaries commonly form across the southeastern U.S., often originating from storms initiated along sea-breeze fronts. As outflows spread, merge, and collide, they frequently trigger secondary convection in air masses already modified by primary storm outflow. This resulting air mass carries a distinctive aerosol population, which can influence the development of secondary convective cells. During the U.S. DOE TRACER field campaign in summer 2022, we investigated how outflows affect aerosol size, composition, and hygroscopicity across Greater Houston, Texas. Using a novel detection algorithm, we identified and verified 72 outflow boundaries from surface meteorological observations. In the relatively simple continental environment northwest of Houston, a common relationship emerged between CCN-inferred hygroscopicity (κ) and size-resolved aerosol concentrations. The κ of aerosols typically decreased in size ranges where aerosol concentrations increased following outflow passage and increased where concentrations decreased. In contrast, at the Atmospheric Radiation Measurement’s (ARM) fixed site in La Porte, Texas, the aerosol response depended on outflow direction, shaped by concentrated industrial and shipping activity to the north and south/southeast along the Houston Ship Channel. Concurrent size distribution and composition changes suggested case-specific variability in κ, with either reinforcing or offsetting effects. Outflows passing over industrial/shipping sectors often promoted less hygroscopic aerosol populations while cleaner residential outflows often favored more hygroscopic aerosol populations. These results highlight key aerosol changes following outflow passage, providing a foundation for improved understanding of aerosol-cloud interactions related to secondary convection initiation along or in the wake of outflow boundaries.

Thompson, Seth A. [Texas A & M Univ., College Stat↗
DOE OSTI2020

An accurate perturbative approach to redshift space clustering of biased tracers in modified gravity

We extend the scale-dependent Gaussian Streaming Model (GSM) to produce analytical predictions for the anisotropic redshift-space correlation function for biased tracers in modified gravity models. Employing the Convolution Lagrangian Perturbation Theory (CLPT) re-summation scheme, with a local Lagrangian bias schema provided by the peak-background split formalism, we predict the necessary ingredients that enter the GSM, the real-space halo pairwise velocity and the pairwise velocity dispersion. We further consider effective field theory contributions to the pairwise velocity dispersion in order to model correctly its large scale behavior. We apply our method on two widely-considered modified gravity models, the chameleon-screened ƒ(R) Hu-Sawicki model and the nDGP Vainshtein model and compare our predictions against state-of-the-art N-body simulations for these models. We demonstrate that the GSM approach to predict the monopole and the quadrupole of the redshift-space correlation function for halos, gives very good agreement with the simulation data, for a wide range of screening mechanisms, levels of screening and halo masses at z = 0.5 and z = 1. Our work shows the applicability of the GSM, for cosmologies beyond GR, demonstrating that it can serve as a powerful predictive tool for the next stage of cosmological surveys like DESI, Euclid, LSST and WFIRST.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Is diffuse intracluster light a good tracer of the galaxy cluster matter distribution?

We explore the relation between diffuse intracluster light (central galaxy included) and the galaxy cluster (baryonic and dark) matter distribution using a sample of 528 clusters at 0.2 ≤ z ≤ 0.35 found in the Dark Energy Survey (DES) Year 1 data. The surface brightness of the diffuse light shows an increasing dependence on cluster total mass at larger radius, and appears to be self-similar with a universal radial dependence after scaling by cluster radius. We also compare the diffuse light radial profiles to the cluster (baryonic and dark) matter distribution measured through weak lensing and find them to be comparable. The IllustrisTNG galaxy formation simulation, TNG300, offers further insight into the connection between diffuse stellar mass and cluster matter distributions – the simulation radial profile of the diffuse stellar component does not have a similar slope with the total cluster matter content, although that of the cluster satellite galaxies does. Regardless of the radial trends, the amount of diffuse stellar mass has a low-scatter scaling relation with cluster’s total mass in the simulation, out-performing the total stellar mass of cluster satellite galaxies. We conclude that there is no consistent evidence yet on whether or not diffuse light is a faithful radial tracer of the cluster matter distribution. Nevertheless, both observational and simulation results reveal that diffuse light is an excellent indicator of the cluster’s total mass.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

The DESI One-Percent Survey: exploring a generalized SHAM for multiple tracers with the UNIT simulation

We perform SubHalo Abundance Matching (SHAM) studies on UNIT simulations with {σ, V ceil , v smear }-SHAM and {σ, V ceil , $f$ sat }-SHAM. They are designed to reproduce the clustering on 5–30 h -1 Mpc of luminous red galaxies (LRGs), emission-line galaxies (ELGs), and quasi-stellar objects (QSOs) at 0.4 < z < 3.5 from DESI (Dark Energy Spectroscopic Instrument) One Percent Survey. V ceil is the incompleteness of the massive host (sub)haloes and is the key to the generalized SHAM. v smear models the clustering effect of redshift uncertainties, providing measurements consistent with those from repeat observations. A free satellite fraction $f$ sat is necessary to reproduce the clustering of ELGs. We find ELGs present a more complex galaxy–halo mass relation than LRGs reflected in their weak constraints on σ. LRGs, QSOs, and ELGs show increasing V ceil values, corresponding to the massive galaxy incompleteness of LRGs, the quenched star formation of ELGs and the quenched black hole accretion of QSOs. For LRGs, a Gaussian v smear presents a better profile for subsamples at redshift bins than a Lorentzian profile used for other tracers. The impact of the statistical redshift uncertainty on ELG clustering is negligible. The best-fitting satellite fraction for DESI ELGs is around 4 per cent, lower than previous estimations for ELGs. The mean halo mass log 10 ($\langle$M vir $\rangle$) in h -1 M ⊙ for LRGs, ELGs, and QSOs are 13.16 ± 0.01, 11.90 ± 0.06, and 12.66 ± 0.45, respectively. Our generalized SHAM algorithms facilitate the production of multitracer galaxy mocks for cosmological tests.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

An Open Source Perovskite Solar Cell Curve Tracer

When developing systems for perovskite solar cells (PSCs), it is important to have a testing platform that closely resembles your deployed systems. While developing a 1 U CubeSat, the Big Red Sat-1 at the University of Nebraska-Lincoln, we found a lack of passive curve tracing instrumentation, which we needed for our mission. To that end, we developed a benchtop passive curve tracer that leverages the Ossila Solar Simulator as an AM1.5 light source. This device utilizes a ladder of switched resistors and a precision voltage and current measurement to achieve the curve tracing. It also integrates a common-anode multiplexer to switch through multipixel PSCs. Finally, the solar cell holder is separate from the main measurement system, so various substrates sizes and pixel counts can be supported. This system is tested using various PSCs. It has been open sourced to enable reuse in future systems that may benefit from the lower power consumption and flight heritage.

14 SOLAR ENERGY↗
DOE OSTI2021

HQ-Tracer

HQ-Tracer is a software plugin related to the open-source project Ghidra. It is used for taking an emulation instruction trace from open source platforms and displaying inside of Ghidra. It allows for software debugging, reverse engineering, and enables interactive forward and backward stepping and searching through the execution traces. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525. SAND2021-4552 O

Wright, ChristopherM.↗
DOE OSTI2024

Characterizing Overwater High Ozone Events in the Houston–Galveston–Brazoria Region during the 2021 GO3 and TRACER-AQ Campaigns

Photochemical modeling outputs showing high ozone concentrations over the Gulf of Mexico and Galveston Bay during ozone episodes in the Houston–Galveston–Brazoria (HGB) region have not been previously verified using in situ observations. Such data were collected systematically, for the first time, from July to October 2021 from three boats deployed for the Galveston Offshore Ozone Observations (GO3) and Tracking Aerosol Convection Interactions Experiment—Air Quality (TRACER-AQ) field campaigns. A pontoon boat and a commercial vessel operated in Galveston Bay, while another commercial vessel operated in the Gulf of Mexico offshore of Galveston. All three boats had continuously operating sampling systems that included ozone analyzers and weather stations, and the two boats operating in Galveston Bay had a ceilometer. The sampling systems operated autonomously on the two commercial boats as they traveled their daily routes. Thirty-seven ozonesondes were launched over water on forecast high ozone days in Galveston Bay and the Gulf of Mexico. During the campaigns, multiple periods of ozone exceeding 100 ppbv were observed over water in Galveston Bay and the Gulf of Mexico. These events included previously identified conditions for high ozone events in the HGB region, such as the bay/sea-breeze recirculation and postfrontal environments, as well as a localized coastal high ozone event after the passing of a tropical system (Hurricane Nicholas) that was not well forecast.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Dependence of Convective Cloud Microphysical Properties on Environmental Conditions during the TRACER and ESCAPE Field Campaigns: A Synergistic Approach of Observations, Machine Learning and Parcel Models

The sensitivity of convective clouds to aerosols and their interactions with environment, combined with limited observational constraints in parameterizations, introduces significant uncertainties in atmospheric models. Here, this study investigates the dependence of convective cloud microphysical properties on environmental conditions using a synergistic approach that combines unique observations from the TRACER and ESCAPE field campaigns, machine learning techniques, and parcel model simulations with a super-droplet microphysics scheme. A random forest algorithm identifies in-situ vertical velocity (w), temperature (T), and surface fine-mode aerosol mass concentration as the three most important environmental conditions influencing cloud properties including liquid water content (LWC), number concentration for particles with D max < 50 μm (N c ,<50), 50 μm ≤ D max ≤ 3000 μm (N c,50–3000 ), and droplet effective diameter (D e ). Results show that LWC, N c,<50 , and N c,50–3000 significantly increase with w in updrafts. Across w bins, as T decreases, LWC, D e , and N c,50–3000 increase, while N c,<50 decreases, which are closely linked to the distance above cloud bases. Warmer cloud bases yield higher LWC, greater N c,50–3000 , and smaller N c,<50 , while polluted environments produce greater N c,<50 . Parcel model simulations successfully replicate these observed dependencies. The simulation results indicate that warmer cloud bases enhance condensation generating larger droplets, and differences in droplet sizes are then amplified through collision-coalescence, resulting in a greater N c,50–3000 . Polluted conditions result in a greater N c,<50 primarily due to enhanced cloud condensation nuclei activation despite increased collision-coalescence rates compared to pristine conditions. This study provides observed quantitative patterns characterizing cloud microphysical properties as a function of key environmental parameters, offering valuable constraints for improving physics parameterizations and numerical models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

TRACER Perspectives on Gulf-Breeze and Bay-Breeze Circulations and Coastal Convection

Abstract This study explores gulf-breeze circulations (GBCs) and bay-breeze circulations (BBCs) in Houston–Galveston, investigating their characteristics, large-scale weather influences, and impacts on surface properties, boundary layer updrafts, and convective clouds. The results are derived from a combination of datasets, including satellite observations, ground-based measurements, and reanalysis datasets, using machine learning, changepoint detection method, and Lagrangian cell tracking. We find that anticyclonic synoptic patterns during the summer months (June–September) favor GBC/BBC formation and the associated convective cloud development, representing 74% of cases. The main Tracking Aerosol Convection Interactions Experiment (TRACER) site located close to the Galveston Bay is influenced by both GBC and BBC, with nearly half of the cases showing evident BBC features. The site experiences early frontal passages ranging from 1040 to 1630 local time (LT), with 1300 LT being the most frequent. These fronts are stronger than those observed at the ancillary site which is located further inland from the Galveston Bay, including larger changes in surface temperature, moisture, and wind speed. Furthermore, these fronts trigger boundary layer updrafts, likely promoting isolated convective precipitating cores that are short lived (average convective lifetime of 63 min) and slow moving (average propagation speed of 5 m s −1 ), primarily within 20–40 km from the coast.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Model data for numerical evaluation of photosensitive tracers as a strategy for separating surface and subsurface transient storage in streams

This model-data archive pertains to a study aimed at the numerical evaluation of the photosensitive tracers as a potential strategy for separating the effects of surface and hyporheic storage zones (SSZs and HSZs, respectively). Separating effects of SSZ and HSZ are important for accurately representing stream function as HSZs and SSZs expose solutes to significantly different biogeochemical conditions. We perform numerical experiments using a multiscale reactive transport model for stream corridors implemented in ATS code, which allows for representing multiple storage zones with their respective travel time distributions and biogeochemistry. For each of the numerical experiment, we provide in this model-data archive python wrapper to drive ATS (forward_model.py), synthetic observation (synthetic_btc.py, BTC_observed.csv), forward model files including ATS input (multiscale_transport.tpl), PFLOTRAN inputs (reactions_channel.tpl, reactions_hz.tpl, reactions_sz.tpl), MCMC (mcmc_run.py), predictive uncertainty (pred_uncert.py, BTCs_simulated_day.csv, BTCs_simulated_night.csv), MCMC outputs (tracer_test_GR.npy, tracer_test_logps.npy, tracer_test_parameters.npy) and Jupyter notebook for post-processing and visualization (post-processing.ipynb). For the denitrification application, ATS input file (denitrification_multisubgrid.tpl), PFLOTRAN input files (denitrification_channel.in, denitrification_hz.in), predictive uncertainty (pred_uncert_denitrification.py, BTCs_simulated_DO.csv, BTCs_simulated_DOC.csv, BTCs_simulated_Nitrate.csv).

54 ENVIRONMENTAL SCIENCES↗