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DOE OSTI2022

Development of an innovative process for post-combustion CO 2 capture to produce high-value NaHCO 3 nanomaterials

An innovative post-combustion process using aqueous sodium glycinates solutions (SGS) for CO 2 capture from a split flue gas stream emitted from the 600 MWe coal power plant, used in the Wolverine Clean Energy Venture (WCEV) project, was developed in Aspen Plus v.10. The flue gas flow rate used in the process was 12.43 kg/s (at 353.15 K and 101.33 kPa) and contained 0.0023 and 13.33 mol% of SO 2 and CO 2 , respectively. The overall process includes 5 main units designed to remove all SO 2 and capture more than 90 mol% of CO 2 in the flue gas stream, while producing high-value, salable sodium bicarbonate (NaHCO 3 ) nanomaterials to offset the total process costs. The hydraulics, mass transfer characteristics, and process performance obtained using Aspen Plus were discussed. Also, the capital expenditure (CAPEX), operating expenditure (OPEX), and Levelized cost of CO 2 capture (LCOC) were calculated to assess the feasibility of this process. Further, the hydraulics in the SO 2 washing and CO 2 capture units showed a pressure drop of 12 and 1 kPa, respectively, and the behaviors of the liquid holdup and normalized packing specific wetted surface area were similar in both units. The gas-side mass transfer coefficients were orders of magnitude greater than the liquid-side mass transfer coefficients. The process was able to capture 2.352 kg/s of CO 2 and produce 4.486 kg/s of valuable NaHCO 3 nanomaterials. Also, the calculated CAPEX, OPEX, and LCOC of the process for a 30-year plant lifetime were ($\$ $4,450,552), (233.00 $\$ $/h) and (35.49 $\$ $/ton of CO 2 captured), respectively.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Livermore tomography tools: Accurate, fast, and flexible software for tomographic science

Livermore Tomography Tools (LTT) is a customizable scientific software package that enables a broad range of research and development efforts into computed tomography (CT). Here, it was developed to process x-ray and neutron CT data accurately and rapidly from raw detector counts to reconstructed volumes with the flexibility to handle many special cases. LTT fulfills long-term CT software goals to provide quantitatively accurate results reported in physical units (e.g., mm -1 or cm -1 ) while exploiting all available computational advantages to maximize speed. Written in C/C++ with support for multiple CPUs and GPUs, LTT runs on many computing platforms (Linux/Unix, Windows, and Mac; laptops to supercomputers). As a result, LTT can:process data acquired from various custom-built and commercially available CT scanners, model and simulate x-ray and neutron interactions to encourage algorithm prototyping, and allow for rapid insertion of the latest algorithms.We describe LTT’s software architecture, user interfaces, and its 88 algorithms (as of this writing) for pre-processing, reconstruction, post-processing, and simulation that support many scanner geometries (parallel-, fan-, cone-beam, and custom). Several applications are presented that illustrate LTT’s accuracy, speed, and flexibility relative to other solutions.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Machine learning pipeline for denoising low signal-to-noise ratio and out-of-distribution transmission electron microscopy datasets

High-resolution transmission electron microscopy (HRTEM) is crucial for observing material’s structural and morphological evolution at Angstrom scales, but the electron beam can alter these processes. Devices such as CMOS-based direct-electron detectors operating in electron-counting mode can be utilized to substantially reduce the electron dosage. However, the resulting images often lead to a low signal-to-noise ratio, which requires frame integration that sacrifices temporal resolution. Several machine learning (ML) models have been recently developed to successfully denoise HRTEM images. Yet, these models are often computationally expensive, and their inference speeds on GPUs are outpaced by the imaging speed of advanced detectors, precluding in situ analysis. Furthermore, the performance of these denoising models on datasets with imaging conditions that deviate from the training datasets has not been evaluated. To mitigate these gaps, we propose a new self-supervised ML denoising pipeline specifically designed for time-series HRTEM images. This pipeline integrates a blind-spot convolution neural network with pre-processing and post-processing steps, including drift correction and low-pass filtering. Results demonstrate that our model outperforms various other ML and non-ML denoising methods in noise reduction and contrast enhancement, leading to improved visual clarity of atomic features. Additionally, the model is drastically faster than U-Net-based ML models and demonstrates excellent out-of-distribution generalization. The model’s computational inference speed is in the order of milliseconds per image, rendering it suitable for application in in-situ HRTEM experiments.

36 MATERIALS SCIENCE↗

DOE OSTI2022

LAVA

We introduce LAVA, a general-purpose python toolkit to provide user-friendly and high throughput calculations for material properties using both LAMMPS and VASP. It contains a set of classes as well as pre-processing and post-processing functions to prepare, execute and extract information from LAMMPS/VASP simulations. An overview of the program structure is provided. The current version contains modules to calculate elastic and mechanical properties such as lattice constant, cohesive energy, cold curve, elastic constants, bulk and shear modulus, volume conserving/non-conserving deformation path, vacancy/interstitial formation energy, surface energy, stacking fault energy, melting point, radial distribution function, and thermal expansion.

Dang, Khanh↗

DOE OSTI2013

Solid Oxide Fuel Cell - Multi-Physics and GUI

SOFC-MP is a simulation tool developed at PNNL to evaluate the tightly coupled multi-physical phenomena in SOFCs. The purpose of the tool is to allow SOFC manufacturers to numerically test changes in planar stack design to meet DOE technical targets. The SOFC-MP 2D module is designed for computational efficiency to enable rapid engineering evaluations for operation of tall symmetric stacks. It can quickly compute distributions for the current density, voltage, temperature, and species composition in tall stacks with co-flow or counter-flow orientations. The 3D module computes distributions in entire 3D domain and handles all planner configurations: co-flow, counter-flow, and cross-flow. The detailed data from 3D simulation can be used as input for structural analysis. SOFC-MP GUI integrates both 2D and 3D modules, and it provides user friendly pre-processing and post-processing capabilities.

Lai, Kevin↗

DOE OSTI2023

Data, figures, animations, and scripts associated with the manuscript "Integrated Effects of Site Hydrology and Vegetation on Exchange Fluxes and Carbon Cycling at the Coastal Terrestrial Aquatic Interface"

This package contains the data, figures, animations, and scripts used in "Integrated Effects of Site Hydrology and Vegetation on Exchange Fluxes and Carbon Cycling at the Coastal Terrestrial Aquatic Interface" (Li et al., 2023). This study examines the interactions between soil, vegetation and hydrologic conditions in coastal areas, with a focus on the Chesapeake Bay region. The researchers used a mechanistic model called ATS-PFLOTRAN to explore how these interactions affect exchange process in different regions and the carbon/nitrogen cycle across the terrestrial-aquatic interface (TAI). Simulation scenarios isolate the effects of control factors and reaction constants derived from laboratory experiments. The results show a carbon cycle "hot zone" in coastal wetlands and in the transition zone between wetlands and uplands. Transpiration enhances fluxes between the surface and subsurface domains and increases dissolved oxygen in TAI. The decomposition of leaf-derived organic carbon provides an additional source of carbon for aerobic respiration and denitrification in the TAI. Microbial activity plays a key role in controlling redox conditions and their variability. This modeling study improves the understanding of complex TAI interactions and facilitates the representation of coastal ecosystems in larger-scale Earth system models.Several files can be found from this data package.1. Readme,md: This file describe the Title, Target Journal, Target submission date, Co-author, Science Questions, Hypotheses, Key words, Key message, Model and Data, Repo Structure. The user can read this file first and then go to details.2. mesh.zip: This file contains the mesh file for simulation cases. 3. Figure.zip: This file contains figures used in the manuscript . 4. animation.zip: This file contains animations used in the manuscript . 5. Data.zip: This file contains all required input data, such as concentration and flow boundaries. Also, it contains the DEM and processes results on area fraction. 6. Simulation_setup_and_results.zip: This file contains setup of cases used in the manuscript . The result files are too large, if you need that data, please contact to the Author. 7. notebooks.zip: This file contains the Jupyter notebooks for performing sensitivity analysis and other pre-process and post-process analyses.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Data and scripts associated with a manuscript investigating impacts of solid phase extraction on freshwater organic matter optical signatures and mass spectrometry pairing

This data package is associated with the publication “Investigating the impacts of solid phase extraction on dissolved organic matter optical signatures and the pairing with high-resolution mass spectrometry data in a freshwater system” submitted to “Limnology and Oceanography: Methods.” This data is an extension of the River Corridor and Watershed Biogeochemistry SFA’s Spatial Study 2021 (https://doi.org/10.15485/1898914). Other associated data and field metadata can be found at the link provided. The goal of this manuscript is to assess the impact of solid phase extraction (SPE) on the ability to pair ultra-high resolution mass spectrometry data collected from SPE extracts with optical properties collected on ambient stream samples. Forty-seven samples collected from within the Yakima River Basin, Washington were analyzed dissolved organic carbon (DOC, measured as non-purgeable organic carbon, NPOC), absorbance, and fluorescence. Samples were subsequently concentrated with SPE and reanalyzed for each measurement. The extraction efficiency for the DOC and common optical indices were calculated. In addition, SPE samples were subject to ultra-high resolution mass spectrometry and compared with the ambient and SPE generated optical data. Finally, in addition to this cross-platform inter-comparison, we further performed and intra-comparison among the high-resolution mass spectrometry data to determine the impact of sample preparation on the interpretability of results. Here, the SPE samples were prepared at 40 milligrams per liter (mg/L) based on the known DOC extraction efficiency of the samples (ranging from ~30 to ~75%) compared to the common practice of assuming the DOC extraction efficiency of freshwater samples at 60%. This data package folder consists of one main data folder with one subfolder (Data_Input). The main data folder contains (1) readme; (2) data dictionary (dd); (3) file-level metadata (flmd); (4) final data summary output from processing script; and (5) the processing script. The R-markdown processing script (SPE_Manuscript_Rmarkdown_Data_Package.rmd) contains all code needed to reproduce manuscript statistics and figures (with the exception of that stated below). The Data_Input folder has two subfolders: (1) FTICR and (2) Optics. Additionally, the Data_Input folder contains dissolved organic carbon (DOC, measured as non-purgeable organic carbon, NPOC) data (SPS_NPOC_Summary.csv) and relevant supporting Solid Phase Extraction Volume information (SPS_SPE_Volumes.csv). Methods information for the optical and FTICR data is embedded in the header rows of SPS_EEMs_Methods.csv and SPS_FTICR_Methods.csv, respectively. In addition, the data dictionary (SPS_SPE_dd.csv), file level metadata (SPS_SPE_flmd.csv), and methods codes (SPS_SPE_Methods_codes.csv) are provided. The FTICR subfolder contains all raw FTICR data as well as instructions for processing. In addition, post processed FTICR molecular information (Processed_FTICRMS_Mol.csv) and sample data (Processed_FTICRMS_Data.csv) is provided that can be directly read into R with the associated R-markdown file. The Optics subfolder contains all Absorbance and Fluorescence Spectra. Fluorescence spectra have been blank corrected, inner filter corrected, and undergone scatter removal. In addition, this folder contains Matlab code used to make a portion of Figure 1 within the manuscript, derive various spectral parameters used within the manuscript, and used for parallel factor analysis (PARAFAC) modeling. Spectral indices (SPS_SpectralIndices.csv) and PARAFAC outputs (SPS_PARAFAC_Model_Loadings.csv and SPS_PARAFAC_Sample_Scores.csv) are directly read into the associated R-markdown file. We acknowledge the Yakama Nation as owners and caretakers of the lands where we collected some of these data. We thank the Confederated Tribes and Bands of the Yakama Nation Tribal Council and Yakama Nation Fisheries for working with us to facilitate sample collection and optimization of data usage according to their values and worldview.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2018

Investigation of laser direct energy deposition for production of ODS alloys

Laser blown powder additive manufacturing (AM) was performed to evaluate the feasibility of using the technique to fabricate oxide dispersion strengthened (ODS) alloys. The idea was to utilize an in-situ oxidation reaction to oxidize reactive elements to generate a refined dispersion of the dispersoids with a uniform size distribution. Builds were fabricated using Y added 316L in a reactive atmosphere and an inert atmosphere for comparisons. Detailed characterization was performed to understand the as-fabricated microstructure. Detailed characterization and chemical analysis show that there is significant Y loss during deposition. The loss in Y during processing leads to a reduced volume fraction of precipitates (~2 x 10 18 /m 3 ) with an average size of ~97 nm. Mechanical testing of the samples fabricated in both air and in inert atmosphere were performed at RT, 200 °C, 400 °C and 600 °C. The mechanical properties were then compared with austenitic ODS alloys that were reported in the literature. The results show that while the ultimate tensile strengths were comparable with wrought ODS alloys, the deterioration in yield strength with temperature was more severe in the case of the AM fabricated ODS material. However, the ductility was observed to be higher than all wrought 316L ODS alloys. Future efforts will focus on increasing the percentage of Y in the pre-alloyed powder to refine the dispersoids. In addition, a close control of process parameters and post processing treatments need to be explored to optimize the dispersoids volume fraction.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

Tensor Extraction of Latent Features (TELF)

Tensor ELF is a user-friendly parallel tensor decomposition Python toolbox that includes a suite of machine learning algorithms for CPU and GPU architectures for the analysis of sparse and dense data including utility tools for pre-processing and post-processing.

Eren, Maksim↗

DOE OSTI2019

Multigroup Neutron Cross Section Generation for the SCEPTRE Code

Multigroup neutron cross sections were generated for the deterministic radiation transport code SCEPTRE. ENDF/B-VII.1 nuclear data files were downloaded from Los Alamos National Laboratory (LANL), processed with the LANL cross-section preparation code NJOY-2012, and post-processed to produce a SCEPTRE-formatted cross section file. A simple radiation transport problem was used to compare results calculated with MCNP, a continuous-energy radiation transport code from LANL, to results calculated with SCEPTRE using the NJOY-2012-produced multigroup cross sections. This problem was used to debug the python scripts used to post-process the NJOY-2012 output and to assess the accuracy of the multigroup cross sections. These comparisons demonstrate that the multigroup cross sections generated in this work are accurate for most elements but yielded inaccurate results for several common transition metals. This discrepancy appears to result from poor treatment of the resolved resonance region of the continuous-energy cross sections. Further work is recommended to investigate alternative methods to treat these resonances with NJOY-2012.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2025

Real-Time FPGA Implementation For Frequency Sweep Interferometry In The LBNF Complex

The Long Baseline Neutrino Facility (LBNF) will deliver a 2.4 MW muon neutrino beam from Fermilab to the Deep Underground Neutrino Experiment (DUNE), requiring unprecedented precision in beamline alignment to achieve DUNE's neutrino oscillation measurement goals. Vertical misalignments of beamline components as small as 0.5 mm can contribute 6-7\% uncertainty in predicted neutrino flux, necessitating sub-0.1 mm alignment monitoring capabilities. The Horn Location Sensor (HLS) system employs frequency sweep interferometry (FSI) in a distributed hydrostatic leveling network to achieve the required precision under harsh radiation conditions up to 5000 kRad/year. Traditional FSI implementations suffer from laser sweep nonlinearities that degrade resolution and require computationally intensive post-processing corrections using gas reference cells. This work presents a real-time FPGA-based implementation of the HLS data acquisition and processing system using a sweep tracker interferometer for dynamic sweep linearization. The system utilizes a PYNQ-Z2 FPGA with programmable logic implementing parallel 16k-point FFT processing across four channels, synchronized by the sweep tracker signal to eliminate post-processing requirements. Spectral performance testing demonstrates significant improvements in peak sharpness compared to traditional fixed-frequency digitization. The FPGA implementation enables real-time displacement monitoring with processing speeds orders of magnitude faster than software-based approaches, essential for the operational requirements of LBNF's eventual distributed sensor network. This advancement in real-time FSI processing directly supports DUNE's precision neutrino physics program by providing the rapid feedback necessary for maintaining stringent beamline alignment tolerances during high-power beam operations.

Rossel, A. Jacob [Fermilab; Unlisted]↗

DOE OSTI2015

Time-resolved fast-neutron radiography of air-water two-phase flows in a rectangular channel by an improved detection system

In a previous work, we have demonstrated the feasibility of high-frame-rate, fast-neutron radiography of generic air-water two-phase flows in a 1.5 cm thick, rectangular flow channel. The experiments have been carried out at the high-intensity, white-beam facility of the Physikalisch-Technische Bundesanstalt, Germany, using an multi-frame, time-resolved detector developed for fast neutron resonance radiography. The results were however not fully optimal and therefore we have decided to modify the detector and optimize it for the given application, which is described in the present work. Furthermore, we managed to improve the image post-processing methodology and the noise suppression. Using the tailored detector and the improved post-processing, significant increase in the image quality and an order of magnitude lower exposure times, down to 3.33 ms, have been achieved with minimized motion artifacts. Similar to the previous study, different two-phase flow regimes such as bubbly slug and churn flows have been examined. The enhanced imaging quality enables an improved prediction of two-phase flow parameters like the instantaneous volumetric gas fraction, bubble size, and bubble velocities. Instantaneous velocity fields around the gas enclosures can also be more robustly predicted using optical flow methods as previously.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2016

Conditional Tree Reduction in the ADAPT Framework

Probabilistic Risk Assessment (PRA) uses fault tree/event tree analysis to evaluate the environmental impacts of nuclear power plants due to internal or external initiating events. In a fault tree, basic failure events are assembled using primarily And/Or logic to determine the combinations of failures that lead to failure of the system as a whole. An event tree is forward-facing, and begins with a single initiating event. From there the analysis considers what event may occur next, and branches out among the possible configurations of occurrence and non-occurrence of that event. This branching continues until end states are reached. End states may include a safe and stable configuration of the plant, or any number of differing failure states. Both fault and event trees require basic event probabilities as inputs to provide insight on the likelihood of different outcomes. PRA has been applied to nuclear power plants as an analysis tool since the 1975 Reactor Safety Study. In a traditional PRA, the order of events is prescribed by the analyst and each event is typically a binary aleatory uncertainty: occurrence or non-occurrence. Discrete dynamic event tree (DDET) analysis eliminates this subjectivity in ordering of events by using the output of a dynamic system model (simulator) to inform the branching. Branching conditions are triggered by the existence of a relevant plant state in the code, and therefore only occur as physically appropriate. The DDET approach also allows consideration of both epistemic and aleatory uncertainties on a phenomenologically and stochastically consistent platform. A DDET may be orders of magnitude larger than a traditional event tree for the same initiating event, as more of the uncertainty space is likely to be explored and the tree does not require manual assembly. Because of the size, manual inspection of the entire DDET is often infeasible. This problem may be approached from the front by reducing the number of sampled branching values or by online pruning of the tree, thus reducing the total number of branches. Utilizing post-processing techniques to draw actionable insights via clustering has also been proposed. One post-processing tool to reduce the DDET according to user-defined rules has been recently implemented in the Analysis of Dynamic Accident Progression Trees (ADAPT) DDET driver code. The tool creates a 'slice' of the DDET comprised of the set of branches that meet a set of user-input rules, for immediate visualization or for further calculations conditional on the rules being met. This extension is expected to ease analysis of the results of large and complex DDETs, leading to greater applicability of DDETs in PRA. It should be emphasized that this tool is a visualization aide and does not impact the theoretical basis of the DDET approach. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2019

Ultrasonic additive manufacturing of 4130 steel using Ni interlayers

Ultrasonic additive manufacturing (UAM) is a solid-state manufacturing process for making complex components. However, fabrication of ferritic (body centered cubic) steels has been challenging for UAM due to its high hardness. This research successfully joined AISI 4130 steel sheets by using soft Ni (face centered cubic) interlayers. The localisation of plastic deformation in the Ni-interlayer leads to a significant reduction in voids. A post-process heat-treatment was designed using thermodynamic calculations to dissolve nickel into steel matrix. Energy dispersive X-ray spectroscopy measurements showed ~10 µm Ni from the interlayer diffused into the steel side, confirming the feasibility of the approach. The shear tests show a higher shear strength in comparison to as-processed 4130 without interlayers and post processed using hot isostatic pressing (HIP).

36 MATERIALS SCIENCE↗

DOE OSTI2018

ATDM/ECP Milestone Memo WBS 2.3.4.04 / SNL ATDM Data and Visualization Projects STDV04-21 - [MS1/YR2] Q3: Prototype Catalyst/ParaView in-situ viz for unsteady RV flow on ATS-1

ParaView Catalyst is an API for accessing the scalable visualization infrastructure of ParaView in an in-situ context. In-situ visualization allows simulation codes to access data post-processing operations while the simulation is running. In-situ techniques can reduce data post-processing time, allow computational steering, and increase the resolution and frequency of data output. For a simulation code to use ParaView Catalyst, adapter code needs to be created that interfaces the simulations data structures to ParaView/VTK data structures. Under ATDM, Catalyst is to be integrated with SPARC, a code used for simulation of unsteady reentry vehicle flow.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2016

Evolution of oxygenated cadmium sulfide (CdS:O) during high-temperature CdTe solar cell fabrication

Oxygenated cadmium sulfide (CdS:O) produced by reactive sputtering has emerged as a promising alternative to conventional CdS for use as the n-type window layer in CdTe solar cells. Here, complementary techniques are used to expose the window layer (CdS or CdS:O) in completed superstrate devices and combined with a suite of materials characterization to elucidate its evolution during high temperature device processing. During device fabrication amorphous CdS:O undergoes significant interdiffusion with CdTe and recrystallization, forming CdS1-yTey nanocrystals whose Te fraction approaches solubility limits. Significant oxygen remains after processing, concentrated in sulfate clusters dispersed among the CdS1-yTey alloy phase, accounting for ~30% of the post-processed window layer based on cross-sectional microscopy. Interdiffusion and recrystallization are observed in devices with un-oxygenated CdS, but to a much lesser extent. Etching experiments suggest that the CdS thickness is minimally changed during processing, but the CdS:O window layer is reduced from 100 nm to 60-80 nm, which is confirmed by microscopy. Alloying reduces the band gap of the CdS:O window layer to 2.15 eV, but reductions in thickness and areal density improve its transmission spectrum, which is well matched to device quantum efficiency. The changes to the window layer in the reactive environments of device fabrication are profoundly different than what occurs by thermal annealing in an inert environment, which produced films with a band gap of 2.4 eV for both CdS and CdS:O. These results illustrate for the first time the significant changes that occur to the window layer during processing that are critical to the performance of CdTe solar cells.

14 SOLAR ENERGY↗

DOE OSTI2023

Development of a Benchmark Eddy Flux Evapotranspiration Dataset for Evaluation of Satellite-Driven Evapotranspiration Models Over the CONUS

A large sample of ground-based evapotranspiration (ET) measurements made in the United States, primarily from eddy covariance systems, were post-processed to produce a benchmark ET dataset. The dataset was produced primarily to support the intercomparison and evaluation of the OpenET satellite-based remote sensing ET (RSET) models and could also be used to evaluate ET data from other models and approaches. OpenET is a web-based service that makes field-delineated and pixel-level ET estimates from well-established RSET models readily available to water managers, agricultural producers, and the public. The benchmark dataset is composed of flux and meteorological data from a variety of providers covering native vegetation and agricultural settings. Flux footprint predictions were developed for each station and included static flux footprints developed based on average wind direction and speed, as well as dynamic hourly footprints that were generated with a physically based model of upwind source area. The two footprint prediction methods were rigorously compared to evaluate their relative spatial coverage. Data from all sources were post-processed in a consistent and reproducible manner including data handling, gap-filling, temporal aggregation, and energy balance closure correction. The resulting dataset included 243,048 daily and 5,284 monthly ET values from 194 stations, with all data falling between 1995 and 2021. We assessed average daily energy imbalance using 172 flux sites with a total of 193,021 days of data, finding that overall turbulent fluxes were understated by about 12% on average relative to available energy. Multiple linear regression analyses indicated that daily average latent energy flux may be typically understated slightly more than sensible heat flux. This dataset was developed to provide a consistent reference to support evaluation of RSET data being developed for a wide range of applications related to water accounting and water resources management at field to watershed scales.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2026

Water isotope data for the TEMPEST study site, 2023-2026

This dataset contains water isotope (deuterium (dD) and oxygen (d18O)) data from porewater, experimental source water, and aquifer sources from the Terrestrial Ecosystem Manipulation to Probe the Effects of Storm Treatments (TEMPEST) experimental field site in Edgewater, MD. Samples were taken from 2023-2026 and included in file "TEMPEST_Water_Isotope_LANL_2023-2026.csv". Porewater samples were taken from 15cm depth at multiple locations in each experimental plot (i.e., control, freshwater, and saltwater). Water samples were stored in 2 ml amber glass vials with septum caps under refrigeration until analysis. A L2140-i Picarro cavity ringdown spectrometer connected to an A0211 Picarro vaporization module was used to run water samples. Standards (United States Geological Survey (USGS) 47 and 48) were used to check instrument accuracy during each run of samples. Post-processing codes were run to calculate isotopic values from raw data. Reported isotope data is post-processed. Raw data CSV files from the Picarro were processed using a Python script and output as excel files containing data calibrated to Vienna Standard Mean Ocean Water (VSMOW). Standardization is based on USGS47 and USGS48 standards that are measured before and after every 5-10 unknowns. Every measurement is comprised of 10 injections. Processing involved discarding the first 4 injections due to a known memory effect. Raw means of the last 6 injections are taken for each measurement and then corrected from the linear calibration relationship of the USGS standards expected vs measured values to obtain corrected compositions relative to VSMOW. Reported isotope data are corrected mean results.

Aquifer↗