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Geologic and remote sensing studies of Rima Mozart

Geologic, photographic, and remote sensing data on Rima Mozart are analyzed to study the processes responsible for the formation of lunar sinuous rilles. The results show that it is unlikely that a complete lava tube could have existed along the Rima Mozart rille. A total eruptive volume of 6372 cu km has been determined for an open channel or tube with an eruption rate of about 80,000 cu m/s and a duration of 947 days. Near-infrared spectral reflectance data and 2.8-cm and 70-cm radar observations indicate that volcanic activity was responsible for the formation of the rille and that pyroclastic deposits are present around Kathleen and Ann as well as at the base of the Apennines.

Coombs, Cassandra R.↗

Spurious solar-wind effects on acceleration noise in LISA Pathfinder

Spurious solar-wind effects are a potential noise source in future Laser Interferometer Space Antenna (LISA) measurements. One noise coupling mechanism is constrained by estimating solar-wind effects on acceleration noise in LISA Pathfinder (LPF). While LISA is designed for drag-free differential measurement, predicting the realistic impact both bounds the operational environment and assesses whether LISA could provide serendipitous space-weather observations. Data from NASA's Advanced Composition Explorer (ACE), situated at the L1 Lagrange point, serves as a reliable source of solar-wind data. The data sets are compared over the 114 d time period from 1 March 2016 to 23 June 2016. This period gives the longest readily-available open data set, without interference from other commissioning activities. To evaluate space weather effects, the data from both satellites are formatted, gap-filled/interpolated, and fast-Fourier transformed for amplitude spectral density and coherence comparisons. Solar wind effects are not seen in a coherence plot between LPF and ACE; modest coherence in the planned LISA observational frequency band can be attributed to chance. This result indicates that measurable correlation due to solar-wind acceleration noise over 3 month timescales will be a negligible noise source. LISA is unlikely to inform solar wind measurements routinely. Another source of noise from the Sun, solar radiation pressure, is estimated to impart greater acceleration noise, but has yet to be analyzed.

79 ASTRONOMY AND ASTROPHYSICS↗

Issues for bringing digital libraries into public use

In much the same way that the field of artificial intelligence produced a cult which fervently believed that computers would soon think like human beings, the existence of electronic books has resurrected the paperless society as a utopian vision to some, an apocalyptic horror to others. In this essay we have attempted to provide realistic notions of what digital libraries are likely to become if they are a popular success. E-books are capable of subsuming most of the media we use today and have the potential for added functionality by being interactive. The environmental impact of having millions more computers will be offset to some degree, perhaps even exceeded, by the fact that televisions, stereos, VCR's, CD players, newspapers, magazines, and books will become part of the computer system or be made redundant. On the whole, large-scale use of digital libraries is likely to be a winning proposition. Whether or not this comes to pass depends on the directions taken by today's researchers and software developers. By involving the public, the effort being put into digital libraries can be leveraged into something which is big enough to make a real change for the better. If digital libraries remain the exclusive property of government, universities, and large research firms, then large parts of the world will remain without digital libraries for years to come, just as they have remained without digital phone service for far too long. If software companies try to scuttle the project by patenting crucial algorithms and using proprietary data formats, all of us will suffer. Let us reverse the errors of the past and create a truly open digital library system.

Flater, David W.↗

ICARTT File Format Enhancements: Supporting FAIRness and Data Discovery of Suborbital Campaign Data

Suborbital campaigns aim to accomplish a wide variety of goals and can include a variety of platforms, instruments, and parameters measured. In 2004, the ICARTT (International Consortium for Atmospheric Research on Transport and Transformation) standards were developed to fulfill data management needs for the ICARTT campaign. The ICARTT file format is text-based and composed of a header with important data description information and the data section. Built on the NASA Ames and GTE data formats, the ICARTT format was created to facilitate data exchange and promote collaborations among the science teams for achieving the ICARTT campaign goals. Due to its success and adaptation for use in many other field campaigns, the ICARTT file format became a NASA standard in 2010 and was amended in January 2017. These changes provided many enhancements, including the requirement for variable standard names. Primarily designed for airborne field studies, ICARTT has been further utilized for ground-based studies. NASA has made a commitment to build an inclusive open science community over the next decade. Open-source science strives to make publicly funded scientific research transparent, inclusive, accessible, and reproducible. The ICARTT format can host metadata that is critical for proper use of the data, particularly for in-situ measurements, and can enhance data discovery and accessibility. However, the required fields are often free text, meaning that the information is human readable, but not machine interpretable. Furthermore, the amount and type of information provided can vary significantly between principal investigators and campaigns. To support FAIR principles and interoperability, enhancements to the ICARTT standards are recommended. Possible recommendations include potential use of controlled and consistent vocabulary for variable standard name and certain common metadata elements; standardizing timestamps for easier data comparisons and analysis; and providing guidance on variable measurement units and how they are reported. Enhancing ICARTT metadata can further streamline the process to make suborbital data more readily available to the data user and improve variable-level metadata. Providing more variable-level metadata can enhance data searching and discovery, supporting NASA’s Open-Source Science Initiative (OSSI).

Megan Buzanowicz↗

Open-Source Science-Driven Development of the Science Data System (SDS) for Earth System Observatory (ESO) Atmospheric Missions

The NASA Earth System Observatory (ESO) atmospheric missions will provide space-based and suborbital observations of collocated cloud, dynamic, precipitation and aerosol processing leading to improved weather, air quality, and climate predictions. The Science Data System (SDS) will deploy the adaptive processing system (APS) developed within the Cloud to manage the research and operational processing of ESO atmospheric mission orbital and suborbital sensors and curate these data for near real-time and collection reprocessing and transfer them to a NASA Distributed Active Archive Center (DAAC) for long-term storage and distribution. Further, the SDS will follow guidelines provided by NASA Earth Science Data Systems (ESDS) program including standard conventions for data file formats, naming, and metadata to improve data interoperability, interpretability, usability, discovery, provenance, and spatiotemporal representativeness. The SDS follows NASA’s commitment to Open-Source Science (OSS) including the sharing of data, software, and knowledge in an open and timely manner. Each of the SDS system components will be developed with open-source concepts including components of APS itself as well as ESO atmospheric mission algorithms. This presentation describes the framework of the SDS and its integral part in facilitating OSS within the ESO atmospheric missions.

David M. Giles↗

Phyllosilicate Formation on Early Mars Via Open-System Acid Alteration of Basaltic Glass

Smectites are widespread on Mars, but neutral/alkaline conditions favorable for smectite formation have surprisingly not led to abundant carbonates. Smectite formation on Mars could also occur in acidic environments unfavorable for carbonate formation. Acidic smectite formation has been demonstrated in batch (closed hydrologic) systems, however, the mechanisms and octahedral composition of smectite forming in acidic flow-through (open hydrologic) systems are not fully understood. Stapafell basaltic glass was hydrothermally altered (190◦C) at two flow rates corresponding to low and high water to rock ratio (W/R) and initial pH (pH_0) values of 2, 3, 4 and 6, and a batch low W/R experiment was conducted at pH_0 2. Kaolinite, montmorillonite and chlorite formed at pH_0 2 at low W/R; no phyllosilicates formed at pH_0 2 at high W/R; and lizardite formed at pH_0 ≥3 at both W/R ratios. Lizardite, kaolinite, and montmorillonite in these experiments formed by precipitation from solution and chlorite likely formed through alteration of montmorillonite and/or basalt. Saponite formed at pH_0 2 in batch conditions by alteration of basaltic glass. Comparison of experimental data with martian phyllosilicate assemblages indicated that smectite formation on Mars likely occurred under water-limited conditions. Al-rich smectite could form in open-system low W/R subsurface environments under a narrow range of pH (pH <3) while saponite could form in closed low W/R systems under acidic to alkaline conditions. Combined open and closed hydrological regimes could be responsible for development of clay mineral stratigraphies observed on Mars. The acidic conditions required for formation of Al-rich smectite were unfavorable for carbonate precipitation, but carbonate precipitation could occur together with Fe/Mg-smectite in closed systems at pH >4. The lack of carbonates occurring together with Fe/Mg-smectite could be cause by low pCO2 in subsurface closed environments and/or by overall lack of carbonate precipitation despite significant oversaturation.

S J Ralston↗

The Foundational Industrial Energy Dataset (FIED): Open-Source Data on Industrial Facilities

The state of data on industrial energy use has co-evolved over several decades with the demands of industrial energy analysis. The most recent development - analysis in support of decarbonizing the industrial sector - has changed the characteristics of industrial data that are useful for analysts and model developers. Although data and its collection processes may be cast from a conventional viewpoint as objective and free from the influence of social dynamics, this provides an incomplete picture of not only the processes by which information is generated, but also the limitations and opportunities of data to be useful for analysis. The foundational industry energy data set (FIED) is a result of the confluence of trends in open data and the demand for higher resolution industrial energy analysis. The general approach to compiling the FIED involves accessing, filtering, and formatting data published by federal organizations on the Internet for public use. Unlike most industrial energy datasets, which are published by the U.S. Energy Information Administration (EIA), the FIED relies on core datasets from the U.S. Environmental Protection Agency (EPA). The FIED addresses several of the areas of growing disconnect between the demands of industrial energy analysis and the state of industrial energy data by providing unit-level characterization - including estimates of energy use, greenhouse gas emissions, and design capacities - for facilities that are identified by latitude and longitude. This enables local-level analysis of existing combustion equipment, as well as regional comparisons with traditional industrial energy data estimates. The report summarizes the general logic behind compiling the FIED. The FIED itself and its Python code are available from OpenEI and GitHub, respectively.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Dissolution zone model of the oxide structure in additively manufactured dispersion-strengthened alloys

The structural evolution of oxides in dispersion-strengthened superalloys during laser-powder bed fusion is considered in detail. Alloy chemistry and process parameter effects on oxide structure are assessed through a parameter study on the model alloy Ni-20Cr, doped with varying concentrations of Y 2 O 3 and Al. Small angle neutron scattering measurements of the dispersoid size distribution show the dispersoid size increases with higher laser power, slower scan speed, and increasing Y 2 O 3 and Al content. Complementary electron microscopy measurements reveal reactions between Y 2 O 3 and Al, even in nanoscale dispersoids, and the presence of micron-scale oxide slag inclusions in select specimens. A scaling analysis of mass and momentum transport within the melt pool, presented here, establishes that diffusional structural evolution mechanisms dominate for nanoscale dispersoids, while fluid forces and advection become significant for larger slag inclusions. These findings are developed into a theory of dispersoid structural evolution, integrating quantitative models of diffusional processes – dispersoid dissolution, nucleation, growth, coarsening – with a reduced order model of time-temperature trajectories of fluid parcels within the melt pool. Calculations of the dispersoid size in single-pass melting reveal a zone in the center of the melt track in which the oxide feedstock fully dissolves. Within this zone the final Y 2 O 3 size is independent of feedstock size and determined by nucleation and growth kinetics. If the dissolution zones of adjacent melt tracks overlap sufficiently with each other to dissolve large oxides, formed during printing or present in the powder feedstock, then the dispersoid structure throughout the build volume is homogeneous and matches that from a single pass within the dissolution zone. Gaps between adjacent dissolution zones result in oxide accumulation into larger slag inclusions. Predictions of final dispersoid size and slag formation using this dissolution zone model match the present experimental data and explain process-structure linkages speculated in the open literature.

36 MATERIALS SCIENCE↗

Space Communications Emulation Facility

Establishing space communication between ground facilities and other satellites is a painstaking task that requires many precise calculations dealing with relay time, atmospheric conditions, and satellite positions, to name a few. The Space Communications Emulation Facility (SCEF) team here at NASA is developing a facility that will approximately emulate the conditions in space that impact space communication. The emulation facility is comprised of a 32 node distributed cluster of computers; each node representing a satellite or ground station. The objective of the satellites is to observe the topography of the Earth (water, vegetation, land, and ice) and relay this information back to the ground stations. Software originally designed by the University of Kansas, labeled the Emulation Manager, controls the interaction of the satellites and ground stations, as well as handling the recording of data. The Emulation Manager is installed on a Linux Operating System, employing both Java and C++ programming codes. The emulation scenarios are written in extensible Markup Language, XML. XML documents are designed to store, carry, and exchange data. With XML documents data can be exchanged between incompatible systems, which makes it ideal for this project because Linux, MAC and Windows Operating Systems are all used. Unfortunately, XML documents cannot display data like HTML documents. Therefore, the SCEF team uses XML Schema Definition (XSD) or just schema to describe the structure of an XML document. Schemas are very important because they have the capability to validate the correctness of data, define restrictions on data, define data formats, and convert data between different data types, among other things. At this time, in order for the Emulation Manager to open and run an XML emulation scenario file, the user must first establish a link between the schema file and the directory under which the XML scenario files are saved. This procedure takes place on the command line on the Linux Operating System. Once this link has been established the Emulation manager validates all the XML files in that directory against the schema file, before the actual scenario is run. Using some very sophisticated commercial software called the Satellite Tool Kit (STK) installed on the Linux box, the Emulation Manager is able to display the data and graphics generated by the execution of a XML emulation scenario file. The Emulation Manager software is written in JAVA programming code. Since the SCEF project is in the developmental stage, the source code for this type of software is being modified to better fit the requirements of the SCEF project. Some parameters for the emulation are hard coded, set at fixed values. Members of the SCEF team are altering the code to allow the user to choose the values of these hard coded parameters by inserting a toolbar onto the preexisting GUI.

Hill, Chante A.↗

Platform for Postprocessing Waveform-Based NDE

Taking advantage of the similarities that exist among all waveform-based non-destructive evaluation (NDE) methods, a common software platform has been developed containing multiple- signal and image-processing techniques for waveforms and images. The NASA NDE Signal and Image Processing software has been developed using the latest versions of LabVIEW, and its associated Advanced Signal Processing and Vision Toolkits. The software is useable on a PC with Windows XP and Windows Vista. The software has been designed with a commercial grade interface in which two main windows, Waveform Window and Image Window, are displayed if the user chooses a waveform file to display. Within these two main windows, most actions are chosen through logically conceived run-time menus. The Waveform Window has plots for both the raw time-domain waves and their frequency- domain transformations (fast Fourier transform and power spectral density). The Image Window shows the C-scan image formed from information of the time-domain waveform (such as peak amplitude) or its frequency-domain transformation at each scan location. The user also has the ability to open an image, or series of images, or a simple set of X-Y paired data set in text format. Each of the Waveform and Image Windows contains menus from which to perform many user actions. An option exists to use raw waves obtained directly from scan, or waves after deconvolution if system wave response is provided. Two types of deconvolution, time-based subtraction or inverse-filter, can be performed to arrive at a deconvolved wave set. Additionally, the menu on the Waveform Window allows preprocessing of waveforms prior to image formation, scaling and display of waveforms, formation of different types of images (including non-standard types such as velocity), gating of portions of waves prior to image formation, and several other miscellaneous and specialized operations. The menu available on the Image Window allows many further image processing and analysis operations, some of which are found in commercially-available image-processing software programs (such as Adobe Photoshop), and some that are not (removing outliers, Bscan information, region-of-interest analysis, line profiles, and precision feature measurements).

Roth, Don↗

Flux Cancelation: The Key to Solar Eruptions

Solar coronal jets are magnetically channeled eruptions that occur in all types of solar environments (e.g. active regions, quiet-Sun regions and coronal holes). Recent studies show that coronal jets are driven by the eruption of small-scare filaments (minifilaments). Once the eruption is underway magnetic reconnection evidently makes the jet spire and the bright emission in the jet base. However, the triggering mechanism of these eruptions and the formation mechanism of the pre-jet minifilaments are still open questions. In this talk, mainly using SDOAIA and SDOHIM data, first I will address the question: what triggers the jet-driving minifilament eruptions in different solar environments (coronal holes, quiet regions, active regions)? Then I will talk about the magnetic field evolution that produces the pre-jet minifilaments. By examining pre-jet evolutionary changes in line-of-sight HMI magnetograms while examining concurrent EUV images of coronal and transition-region emission, we find clear evidence that flux cancelation is the main process that builds pre-jet minifilaments, and is also the main process that triggers the eruptions. I will also present results from our ongoing work indicating that jet-driving minifilament eruptions are analogous to larger-scare filament eruptions that make flares and CMEs. We find that persistent flux cancellation at the neutral line of large-scale filaments often triggers their eruptions. From our observations we infer that flux cancelation is the fundamental process from the buildup and triggering of solar eruptions of all sizes.

Panesar, Navdeep K.↗

Flux Cancelation: The Key to Solar Eruptions

Solar coronal jets are magnetically channeled eruptions that occur in all types of solar environments (e.g. active regions, quiet-Sun regions and coronal holes). Recent studies show that coronal jets are driven by the eruption of small-scale filaments (minifilaments). Once the eruption is underway magnetic reconnection evidently makes the jet spire and the bright emission in the jet base. However, the triggering mechanism of these eruptions and the formation mechanism of the pre-jet minifilaments are still open questions. In this talk, mainly using SDO/AIA and SDO/HMI data, first I will address the question: what triggers the jet-driving minifilament eruptions in different solar environments (coronal holes, quiet regions, active regions)? Then I will talk about the magnetic field evolution that produces the pre-jet minifilaments. By examining pre-jet evolutionary changes in line-of-sight HMI magnetograms while examining concurrent EUV images of coronal and transition-region emission, we find clear evidence that flux cancellation is the main process that builds pre-jet minifilaments, and is also the main process that triggers the eruptions. I will also present results from our ongoing work indicating that jet-driving minifilament eruptions are analogous to larger-scale filament eruptions that make flares and CMEs. We find that persistent flux cancellation at the neutral line of large-scale filaments often triggers their eruptions. From our observations we infer that flux cancellation is the fundamental process for the buildup and triggering of solar eruptions of all sizes.

Panesar, Navdeep K.↗

Flux Cancelation: The Key to Solar Eruptions

Solar coronal jets are magnetically channeled eruptions that occur in all types of solar environments (e.g. active regions, quiet-Sun regions and coronal holes). Recent studies show that coronal jets are driven by the eruption of small-scare filaments (minifilaments). Once the eruption is underway magnetic reconnection evidently makes the jet spire and the bright emission in the jet base. However, the triggering mechanism of these eruptions and the formation mechanism of the pre-jet minifilaments are still open questions. In this talk, mainly using SDOAIA and SDOHIM data, first I will address the question: what triggers the jet-driving minifilament eruptions in different solar environments (coronal holes, quiet regions, active regions)? Then I will talk about the magnetic field evolution that produces the pre-jet minifilaments. By examining pre-jet evolutionary changes in line-of-sight HMI magnetograms while examining concurrent EUV images of coronal and transition-region emission, we find clear evidence that flux cancelation is the main process that builds pre-jet minifilaments, and is also the main process that triggers the eruptions. I will also present results from our ongoing work indicating that jet-driving minifilament eruptions are analogous to larger-scare filament eruptions that make flares and CMEs. We find that persistent flux cancellation at the neutral line of large-scale filaments often triggers their eruptions. From our observations we infer that flux cancelation is the fundamental process from the buildup and triggering of solar eruptions of all sizes.

Panesar, Navdeep K.↗

High-Resolution Gridded Level 3 Aerosol Optical Depth Data from MODIS

The state-of-art satellite observations of atmospheric aerosols over the last two decades from NASA's MODIS instruments have been extensively utilized in climate change and air quality research and applications. The operational algorithms now produce level 2 aerosol data at varying spatial resolutions (1, 3, and 10 km) and level 3 data at 1 degree. The local and global applications have been benefited from the coarse resolution gridded data sets (i.e., level 3, 1 degree), as it is easier to use since data volume is low and, several online and offline tools are readily available to access and analyze the data with minimal computing resources. At the same time, researchers who require data at much finer spatial scales have to go through a challenging process of obtaining, processing, and analyzing larger volumes of data sets that require high-end computing resources and coding skills. Therefore, we have created a high spatial resolution (HRG, 0.1x0.1 degree) daily and monthly aerosol optical depth (AOD) product by combining two MODIS operational algorithms, namely Deep Blue (DB) and Dark Target (DT). The new HRG AODs meets the accuracy requirements of level 2 AOD data and provide either the same or more spatial coverage on daily and monthly scales. The data sets are provided in daily and monthly files through open Ftp server with python scripts to read and map the data. The reduced data volume with an easy to use format and tools to access the data will encourage more users to utilize the data for research and applications.

aerosol↗

An open-access database and analysis tool for perovskite solar cells based on the FAIR data principles

Large datasets are now ubiquitous as technology enables higher-throughput experiments, but rarely can a research field truly benefit from the research data generated due to inconsistent formatting, undocumented storage or improper dissemination. Here we extract all the meaningful device data from peer-reviewed papers on metal-halide perovskite solar cells published so far and make them available in a database. We collect data from over 42,400 photovoltaic devices with up to 100 parameters per device. We then develop open-source and accessible procedures to analyse the data, providing examples of insights that can be gleaned from the analysis of a large dataset. The database, graphics and analysis tools are made available to the community and will continue to evolve as an open-source initiative. This approach of extensively capturing the progress of an entire field, including sorting, interactive exploration and graphical representation of the data, will be applicable to many fields in materials science, engineering and biosciences.

14 SOLAR ENERGY↗

The kinematics of dense clusters of galaxies. 3: Comparison with cosmological models

We compare the combined distribution of 31 group and 25 cluster velocity dispersions with the ensemble of 32 models for the formation and evolution of large-scale structure examined by Weinberg & Cole (1992). The models include Gaussian and non-Gaussian initial fluctuations, different power law spectra (n = -1, n = 0, n = -2, 'pancake'), flat (Omega = 1) and open (Omega = 0.2) cosmologies, and unbiased (b(sub 8) = 1) and biased (b(sub 8) = 2) galaxy formation. The set of initial conditions we test, although limited, samples enough parameter space to indicate which general classes of models are consistent with the data. The two Gaussian, n = -1 models which best approximate the standard and open Cold Dark Matter (CDM) models do not match the observed distribution of velocity dispersions; models with b(sub 8) = 2 and Omega = 1 ('standard') or b(sub 8) = 1 and Omega = 0.2 ('open') predict too large a ratio of low to high velocity dispersion systems. A 'COBE-normalized' CDM model with b(sub 8) = 1 and Omega = 1 produces clusters with velocity dispersions higher than those measured. All three models overestimate the total abundance of systems.

Zabludoff, Ann I.↗

A Processing and Analytics System for Microscopy Data Workflows: The Pycroscopy Ecosystem of Packages

Major advancements in fields as diverse as biology and quantum computing have relied on a multitude of microscopy techniques. Despite the considerable proliferation of these instruments, significant bottlenecks remain in terms of processing, analysis, storage, and retrieval of the acquired datasets. Aside from lack of file standards, individual domain-specific analysis packages are often disjoint from the underlying datasets, and thus keeping track of analysis and processing steps remains tedious for the end-user, hampering reproducibility. Here, in this study, the pycroscopy ecosystem of packages is introduced, an open-source python-based ecosystem underpinned by a common data model. The data model, termed the N-dimensional spectral imaging data format, is realized in pycroscopy's sidpy package. This package is built on top of dask arrays, thus leveraging dask array attributes, but expanding them to accelerate microscopy relevant analysis and visualization. Several examples of the use of the pycroscopy ecosystem to create workflows for data ingestion and analysis of scanning transmission electron microscopy (STEM) and scanning probe microscopy data are shown. Adoption of such standardized routines will be critical to usher in the next generation of autonomous instruments where processing, computation, and meta-data storage will be critical to overall experimental operations.

97 MATHEMATICS AND COMPUTING↗

Surface Complexation/Ion Exchange Hybrid Model for Radionuclide Sorption to Clay Minerals (M4SF-23LL010301062)

This progress report (Level 4 Milestone Number M4SF-23LL010301062) summarizes research conducted at Lawrence Livermore National Laboratory (LLNL) within the Argillite International Collaborations Activity Number SF-23LL01030106. The activity is focused on our long-term commitment to engaging our partners in international nuclear waste repository research. The focus of this milestone is the establishment of international collaborations for surface complexation modeling and the associated impacts of unlocking larger, community-based datasets. More specifically, we are developing a database framework for Spent Fuel and Waste and Science Technology (SFWST) that is aligned with the Helmholtz Zentrum Dresden Rossendorf (HZDR) sorption database development group in support of the database needs of the SFWST program. In our FY22 effort, we described a detailed analysis of U(VI) sorption to quartz through both traditional surface complexation modeling and through a hybrid ML framework. In FY23, effort was placed on publication of these results and expansion of the LLNL surface complexation and ion exchange database (L-SCIE) in order to assess mineral-based radionuclide retardation under a wider variety of geochemical conditions (e.g., ionic strength, varying electrolyte compositions). Efforts were initiated to expand L-SCIE to include radionuclide surface complexation and ion exchange to clays that are relevant to subsurface geochemical processes occurring at nuclear waste repositories. In particular, a large source of sorption data for clays resides at the Paul Scherrer Institute (PSI) (work primarily by Bradbury and Baeyens) and we initiated discussions on how to retrieve those data and apply FAIR principles to those datasets. In addition to L-SCIE development, two hybrid models that incorporate AI/ML were investigated and compared to discern the most promising approaches for accurate and precise estimations of radionuclide retardation. Key considerations for future model development include (1) the ability to reduce computational burden on determining retardation coefficients for PA and (2) the ability to quantify and predict radionuclide-mineral partitioning at a more efficient, rapid pace due to automated workflows. Upon the careful consideration of the most effective modeling approaches, we are identifying ways to implement these approaches into PA. Ultimately, the data science-based workflows will provide a major incentive for other institutions to adopt a FAIR-formatted, interoperable database. LLNL will play a key role in disseminating sorption data and acting as good data stewards by updating the database in a consistent format and assessing the quality of the newly assimilated data in an organized fashion. To this end, all data and workflows are open access and made available on the LLNL Seaborg research website (https://seaborg.llnl.gov/resources/geochemical-databases-modeling-codes).

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗