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At least 343 records · Page 19

A Long-Term and Reproducible Passive Microwave Sea Ice Concentration Data Record for Climate Studies and Monitoring

A long-term, consistent, and reproducible satellite-based passive microwave sea ice concentration climate data record (CDR) is available for climate studies, monitoring, and model validation with an initial operation capability (IOC). The daily and monthly sea ice concentration data are on the National Snow and Ice Data Center (NSIDC) polar stereographic grid with nominal 25 km × 25 km grid cells in both the Southern and Northern Hemisphere polar regions from 9 July 1987 to 31 December 2007. The data files are available in the NetCDF data format at http://nsidc.org/data/g02202.html and archived by the National Climatic Data Center (NCDC) of the National Oceanic and Atmospheric Administration (NOAA) under the satellite climate data record program (http://www.ncdc.noaa.gov/cdr/operationalcdrs.html). The description and basic characteristics of the NOAA/NSIDC passive microwave sea ice concentration CDR are presented here. The CDR provides similar spatial and temporal variability as the heritage products to the user communities with the additional documentation, traceability, and reproducibility that meet current standards and guidelines for climate data records. The data set, along with detailed data processing steps and error source information, can be found at http://dx.doi.org/10.7265/N5B56GN3.

monitoring↗

EVT 16s Data and Large Supplementary Files

Soil microorganisms often interact to carry out decomposition of complex organic carbon and nitrogen compounds, such as chitin, but the high diversity and complexity of the soil microbiome and habitat has posed a challenge to elucidating such interactions between soil microorganisms. Here, we seek to address this challenge through analysis of a model soil consortium (MSC-2) of eight soil bacterial species. Our aim was to elucidate specific roles of the member species during chitin metabolism. Samples were collected from MSC-2 incubated in chitin-enriched soil over three months. Multi-omics was used to understand how the community composition, transcripts, proteins and chitin decomposition shifted over time. The data clearly and consistently revealed a temporal shift during chitin decomposition with defined contributions by individual species. A Streptomyces genus member (sp001905665) was a key player in early steps of chitin decomposition, with other MSC-2 members being central in carrying out later steps. These results illustrate how multi-omics applied to a defined consortium untangles interactions between soil microorganisms.

McClure, Ryan [Pacific Northwest National Laborato↗

HarDWR - Harmonized Water Rights Records

A dataset within the Harmonized Database of Western U.S. Water Rights (HarDWR). For a detailed description of the database, please see the meta-record v2.0. Changelog v2.0 - Recalculated based on data sourced from WestDAAT - Changed using a Site ID column to identify unique records to using aa combination of Site ID and Allocation ID - Removed the Water Management Area (WMA) column from the harmonized records. The replacement is a separate file which stores the relationship between allocations and WMAs. This allows for allocations to contribute to water right amounts to multiple WMAs during the subsequent cumulative process. - Added a column describing a water rights legal status - Added "Unspecified" was a water source category - Added an acre-foot (AF) column - Added a column for the classification of the right's owner v1.02 - Added a .RData file to the dataset as a convenience for anyone exploring our code. This is an internal file, and the one referenced in analysis scripts as the data objects are already in R data objects. v1.01 - Updated the names of each file with an ID number less than 3 digits to include leading 0s v1.0 - Initial public release Description Here we present an updated database of Western U.S. water right records. This database provides consistent unique identifiers for each water right record, and a consistent categorization scheme that puts each water right record into one of seven broad use categories. These data were instrumental in conducting a study of the multi-sector dynamics of inter-sectoral water allocation changes though water markets (Grogan et al., *in review*). Specifically, the data were formatted for use as input to a process-based hydrologic model, Water Balance Model (WBM), with a water rights module (Grogan et al., *in review*). While this specific study motivated the development of the database presented here, water management in the U.S. West is a rich area of study (e.g., Anderson and Woosly, 2005; Tidwell, 2014; Null and Prudencio, 2016; Carney et al., 2021) so releasing this database publicly with documentation and usage notes will enable other researchers to do further work on water management in the U.S. West. We produced the water rights database presented here in four main steps: (1) data collection, (2) data quality control, (3) data harmonization, and (4) generation of cumulative water rights curves. Each of steps (1)-(3) had to be completed in order to produce (4), the final product that was used in the modeling exercise in Grogan et al. (*in review*). All data in each step is associated with a spatial unit called a Water Management Area (WMA), which is the unit of water right administration utilized by the state in which the right came from. Steps (2) and (3) required use to make assumptions and interpretation, and to remove records from the raw data collection. We describe each of these assumptions and interpretations below so that other researchers can choose to implement alternative assumptions an interpretation as fits their research aims. Motivation for Changing Data Sources The most significant change has been a switch from collecting the raw water rights directly from each state to using the water rights records presented in WestDAAT, a product of the Water Data Exchange (WaDE) Program under the Western States Water Council (WSWC). One of the main reasons for this is that each state of interest is a member of the WSWC, meaning that WaDE is partially funded by these states, as well as many universities. As WestDAAT is also a database with consistent categorization, it has allowed us to spend less time on data collection and quality control and more time on answering research questions. This has included records from water right sources we had previously not known about when creating v1.0 of this database. The only major downside to utilizing the WestDAAT records as our raw data is that further updates are tied to when WestDAAT is updated, as some states update their public water right records daily. However, as our focus is on cumulative water amounts at the regional scale, it is unlikely most records updates would have a significant effect on our results. The structure of WestDAAT led to several important changes to how HarWR is formatted. The most significant change is that WaDE has calculated a field known as `SiteUUID`, which is a unique identifier for the Point of Diversion (POD), or where the water is drawn from. This separate from `AllocationNativeID`, which is the identifier for the allocation of water, or the amount of water associated with the water right. It should be noted that it is possible for a single site to have multiple allocations associated with it and for an allocation to be able to be extracted from multiple sites. The site-allocation structure has allowed us to adapt a more consistent, and hopefully more realistic, approach in organizing the water right records than we had with HarDWR v1.0. This was incredibly helpful as the raw data from many states had multiple water uses within a single field within a single row of their raw data, and it was not always clear if the first water use was the most important, or simply first alphabetically. WestDAAT has already addressed this data quality issue. Furthermore, with v1.0, when there were multiple records with the same water right ID, we selected the largest volume or flow amount and disregarded the rest. As WestDAAT was already a common structure for disparate data formats, we were better able to identify sites with multiple allocations and, perhaps more importantly, allocations with multiple sites. This is particularly helpful when an allocation has sites which cross WMA boundaries, instead of just assigning the full water amount to a single WMA we are now able to divide the amount of water between the number of relevant WMAs. As it is now possible to identify allocations with water used in multiple WMAs, it is no longer practical to store this information within a single column. Instead the stAllocationToWMATab.csv file was created, which is an allocation by WMA matrix containing the percent Place of Use area overlap with each WMA. We then use this percentage to divide the allocation's flow amount between the given WMAs during the cumulation process to hopefully provide more realistic totals of water use in each area. However, not every state provides areas of water use, so like HarDWR v1.0, a hierarchical decision tree was used to assign each allocation to a WMA. First, if a WMA could be identified based on the allocation ID, then that WMA was used; typically, when available, this applied to the entire state and no further steps were needed. Second was the spatial analysis of Place of Use to WMAs. Third was a spatial analysis of the POD locations to WMAs, with the assumption that allocation's POD is within the WMA it should belong to; if an allocation still had multiple WMAs based on its POD locations, then the allocation's flow amount would be divided equally between all WMAs. The fourth, and final, process was to include water allocations which spatially fell outside of the state WMA boundaries. This could be due to several reasons, such as coordinate errors / imprecision in the POD location, imprecision in the WMA boundaries, or rights attached with features, such as a reservoir, which crosses state boundaries. To include these records, we decided for any POD which was within one kilometer of the state's edge would be assigned to the nearest WMA. Other Changes WestDAAT has Allowed In addition to a more nuanced and consistent method of assigning water right's data to WMAs, there are other benefits gained from using the WestDAAT dataset. Among those is a consistent categorization of a water right's legal status. In HarDWR v1.0, legal status was effectively ignored, which led to many valid concerns about the quality of the database related to the amounts of water the rights allowed to be claimed. The main issue was that rights with legal status' such as "application withdrawn", "non-active", or "cancelled" were included within HarDWR v1.0. These, and other water rights status' which were deemed to not be in use have been removed from this version of the database. Another major change has been the addition of the "unspecified water source category. This is water that can come from either surface water or groundwater, or the source of which is unknown. The addition of this source category brings the total number of categories to three. Due to reviewer feedback, we decided to add the acre-foot (AF) column so that the data may be more applicable to a wider audience. We added the ownerClassification column so that the data may be more applicable to a wider audience. File Descriptions The dataset is a series of various files organized by state sub-directories. In addition, each file begins with the state's name, in case the file is separate from its sub-directory for some reason. After the state name is the text which describes the contents of the file. Here is each file described in detail. Note that st is a placeholder for the state's name. stFullRecords_HarmonizedRights.csv: A file of the complete water records for each state. The column headers for each of this type of file are: state - The name of the state to which the allocations belong to. FIPS - The two digit numeric state ID code. siteID - The site location ID for POD locations. A site may have multiple allocations, which are the actual amount of water which can be drawn. In a simplified hypothetical, a farm stead may have an allocation for "irrigation" and an allocation for "domestic" water use, but the water is drawn from the same pumping equipment. It should be noted that many of the site ID appear to have been added by WaDE, and therefore may not be recognized by a given state's water rights database. allocationID - The allocation ID for the water right. For most states this is the water right ID, and what is recommended to use should a right be looked up on a given state's water rights database. The water amounts associated with these IDs tend to be finer scaled than those associated with siteID. It should be noted that some allocations may be extracted from multiple sites, particularly for larger Places of Use. ownerClassification - A classification of the types of owners for water rights. The most common is `Private` which incorporates a wide range of entities. Several classifications would be grouped into a government category, most of which are for the U.S. Federal Government. These allocations could be listed as "Federal", "United States of America", or as the names of any number of federal agencies. The last major grouping of entities is for "Native American"s. priorityDate - The date we use as the water right priority date for our modeling analysis. This is the legal priority date when it is available. However, for some rights, specifically from California and New Mexico, we used a pseudo priority date (e.g. well completion date or start of well drilling date) when a legal priority date was not available. The most questionable dates come from New Mexico, where the only date associated with certain water right records was the date the allocation was recorded in the database. As the allocation record creation tended to be within a few months of the filing of the application of the water right, from manually double checking the water rights, and our analysis focuses on aggregating water rights on the timescale of years, we determined it was acceptable to use such dates to include as many records as possible. primaryBeneficialUse - From the numerous state water use categories, WaDE categorized them into 21 categories WestDAAT. This column is the original WaDE category for the primary water use at the PoD site. allocationBeneficialUse - From the numerous state water use categories, WaDE categorized them into 21 categories for WestDAAT. This column is the original WaDE category

Economics↗

MEUMAPPS (C++ Version)

Many materials, metal alloys in particular, have features on the on micrometer or nanometer scale that have a large impact on the properties of the material. These features are known as the microstructure of the material. Understanding why and how the microstructure forms in a material is of fundamental scientific interest as well as of significant technological interest. The capability to predict microstructure evolution in a material allows the intentional design of microstructures and hence the intentional design of material properties. The phase-field method is one of the leading methods for predicting microstructure evolution. One of the most significant problems for phase-field models is their computational expense. Even limited phase-field simulations can easily require thousands of CPU core-hours to complete, which significantly limits their use. This code provides both a general framework for creating scalable, GPU-accelerated phase-field model applications as well as several applications themselves. The code is capable of using hundreds of GPUs efficiently, which greatly reduces the time required to perform simulations. The code is written with an emphasis on performance portability, that is the ability for the code to run efficiently on a number of different computing architectures without modification of the source code. The performance portability of this code is primarily enabled through the use of two libraries, Kokkos (performance portable data structures and execution patterns) and heFFTe (performance portable distributed 3D fast Fourier transforms). The code consists of a core library, applications, and tests. The core library includes shared functionality between applications. This includes interfaces with fast Fourier transform (FFT) libraries such as heFFTe, data structures based on Kokkos, file input and output capabilities, and a solver for infinitesimal strain mechanical equilibrium problems. Five applications are included in the code. The flagship application is the MEUMAPPS-SS application, which implements the Kim-Kim-Suzuki phase-field model for precipitation for an arbitrary number of phases and components in a metal alloy. Five simpler applications are also included that solve the Eshelby inclusion problem, Allen-Cahn equation, the coupled Allen-Cahn and diffusion equations, and the Cahn-Hilliard equation. The code includes two applications to solve the Cahn-Hilliard equation, one with constant-step-size first-order time integration and the second with adaptive high-order time integration.

DeWitt, Stephen [Oak Ridge National Lab. (ORNL), O↗

Development of a Dynamically Configurable, Object-Oriented Framework for Distributed, Multi-modal Computational Aerospace Systems Simulation: Second Year Progress Report

Mesh generation has long been recognized as a bottleneck in the CFD process. While much research on automating the volume mesh generation process have been relatively successful,these methods rely on appropriate initial surface triangulation to work properly. Surface discretization has been one of the least automated steps in computational simulation due to its dependence on implicitly defined CAD surfaces and curves. Differences in CAD peometry engines manifest themselves in discrepancies in their interpretation of the same entities. This lack of "good" geometry causes significant problems for mesh generators, requiring users to "repair" the CAD geometry before mesh generation. The problem is exacerbated when CAD geometry is translated to other forms (e.g., IGES )which do not include important topological and construction information in addition to entity geometry. One technique to avoid these problems is to access the CAD geometry directly from the mesh generating software, rather than through files. By accessing the geometry model (not a discretized version) in its native environment, t h s a proach avoids translation to a format which can deplete the model of topological information. Our approach to enable models developed in the Denali software environment to directly access CAD geometry and functions is through an Application Programming Interface (API) known as CAPRI. CAPRI provides a layer of indirection through which CAD-specific data may be accessed by an application program using CAD-system neutral C and FORTRAN language function calls. CAPRI supports a general set of CAD operations such as truth testing, geometry construction and entity queries.

Afjeh, Abdollah A.↗

Ramp Technology and Intelligent Processing in Small Manufacturing

To address the issues of excessive inventories and increasing procurement lead times, the Navy is actively pursuing flexible computer integrated manufacturing (FCIM) technologies, integrated by communication networks to respond rapidly to its requirements for parts. The Rapid Acquisition of Manufactured Parts (RAMP) program, initiated in 1986, is an integral part of this effort. The RAMP program's goal is to reduce the current average production lead times experienced by the Navy's inventory control points by a factor of 90 percent. The manufacturing engineering component of the RAMP architecture utilizes an intelligent processing technology built around a knowledge-based shell provided by ICAD, Inc. Rules and data bases in the software simulate an expert manufacturing planner's knowledge of shop processes and equipment. This expert system can use Product Data Exchange using STEP (PDES) data to determine what features the required part has, what material is required to manufacture it, what machines and tools are needed, and how the part should be held (fixtured) for machining, among other factors. The program's rule base then indicates, for example, how to make each feature, in what order to make it, and to which machines on the shop floor the part should be routed for processing. This information becomes part of the shop work order. The process planning function under RAMP greatly reduces the time and effort required to complete a process plan. Since the PDES file that drives the intelligent processing is 100 percent complete and accurate to start with, the potential for costly errors is greatly diminished.

Rentz, Richard E.↗

Simulating Catalysis with Realistic Pellet Geometries Using Mesoflow: A Case Study of Catalytic Propane Dehydrogenation

We present a case study of catalytic propane dehydrogenation with our open-source multiphysics solver, Mesoflow. The solver was developed to simulate reactive flow coupled to heterogeneous catalytic reactions and deactivation in the context of complex, mesoscale geometry. The method leverages cartesian block-structured adaptive mesh refinement to capture realistic catalyst microstructural features acquired directly from X-ray computed tomography data. A kinetic model for propane dehydrogenation and catalyst deactivation was developed based on temporal analysis of products (TAP) reactor experiments. The TAP reactor experiments allow for precise characterization of intrinsic kinetic reaction steps which are implemented into Mesoflow simulations to model the spatial and temporal evolution of reactants, products, and catalyst active sites. The short-term and long-term deactivation behavior is studied by using XCT data collected from fresh and aged catalyst pellets, which exhibit different microstructural features. This study employs time-splitting algorithms to connect disparate reaction and flow timescales, enabling the simulations to achieve realistic deactivation timescales on the order of minutes while the flow time-scales for small particles (100 microns) are several milliseconds. We also introduce a flexible automated python script that writes the necessary files to construct a Mesoflow simulation from user-created chemical mechanisms. We will also introduce a few new features that are added to Mesoflow such as higher order schemes, implicit chemistry integrators and the ability to run on AMD and NVIDIA graphics-processing-units.

AMReX↗

Tidal Turbine Test, Downeast Turbines, July 12, 2021

Downeast Turbines tested a tidal turbine prototype with novel rotor/channel system and lateral effluent discharge apparatus (LEDA), during five days of testing in the flume at Alden Lab. Three days of testing (July 12-14, 2021) focused on turbine power metrics of torque and rpm, which were low, and then two days of follow-up testing (July 27-28, 2021) focused on LEDA performance metrics of pressure differential and rates of volumetric flow, with encouraging results. Next step is to to characterize, and even optimize, configurations of the LEDA, using 3D-CFD as a helpful tool, to refine its shape and explore its limits of performance as a means of effluent discharge that augments performance of an instream turbine. An improved configuration of the LEDA will be re-combined with the rotor/channel system of the turbine prototype, and ultimately, the rotor will be re-sized (enlarged), to better match the LEDA's performance capabilities in drawing through a rate of volumetric flow. This submission is Downeast Turbines' Post Access Report for the test event. It includes the files described here (next below), and several reference links. "Downeast TEAMER-Post-Access-Report...docx" is a document file containing the report. "Appendices A, B, and C" are included in this file, and so are "Figures #1-7." "Appendix D - Test Data Workbooks.zip" is an archive file containing all post access data (raw data tables, calculating tables, and graphs), presented in fourteen Excel workbooks as described in the report. "Appendix E - Post Access Figures.zip" is an archive file containing "Figures #8-52," of the report.

16 TIDAL AND WAVE POWER↗

The Mars Exploration Rover/Collaborative Information Portal

Astrology has long argued that the alignment of the planets governs human affairs. Science usually scoffs at this. There is, however, an important exception: sending spacecraft for planetary exploration. In late May and early June, 2003, Mars will be in position for Earth launch. Two Mars Exploration Rovers (MER) will rocket towards the red planet. The rovers will perform a series of geological and meteorological experiments, seeking to examine geological evidence for water and conditions once favorable for life. Back on earth, a small army of surface operations staff will work to keep the rovers running, sending directions for each day's operations and receiving the files encoding the outputs of the Rover's six instruments. (Mars is twenty light minutes from Earth. The rovers must be robots.) The fundamental purpose of the project is, after all, Science. Scientists have experiments they want to run. Ideally, scientists want to be immediately notified when the data products of their experiments have been received, so that they can examine their data and (collaboratively) deduce results. Mars is an unpredictable environment. We may issue commands to the rovers but there is considerable uncertainty in how the commands will be executed and whether what the rovers sense will be worthy of further pursuit. The steps of what is, to a scientist, conceptually an individual experiment may be scattered over a large number of activities. While the scientific staff has an overall strategic idea of what it would like to accomplish, activities are planned daily. The data and surprises of the previous day need to be integrated into the negotiations for the next day's activities, all synchronized to a schedule of transmission windows . Negotiations is the operative term, as different scientists want the resources to run possibly incompatible experiments. Many meetings plan each day's activities.

Walton, Joan↗

Addressing the Tension Between Strong Perimeter Control an Usability

This paper describes a strong perimeter control system for a general purpose processing system, with the perimeter control system taking significant steps to address usability issues, thus mitigating the tension between strong perimeter protection and usability. A secure front end enforces two-factor authentication for all interactive access to an enclave that contains a large supercomputer and various associated systems, with each requiring their own authentication. Usability is addressed through a design in which the user has to perform two-factor authentication at the secure front end in order to gain access to the enclave, while an agent transparently performs public key authentication as needed to authenticate to specific systems within the enclave. The paper then describes a proxy system that allows users to transfer files into the enclave under script control, when the user is not present to perform two-factor authentication. This uses a pre-authorization approach based on public key technology, which is still strongly tied to both two-factor authentication and strict control over where files can be transferred on the target system. Finally the paper describes an approach to support network applications and systems such as grids or parallel file transfer protocols that require the use of many ports through the perimeter. The paper describes a least privilege approach that dynamically opens ports on a host-specific, if-authorized, as-needed, just-in-time basis.

Hinke, Thomas H.↗

Projections of Hourly Meteorology by Balancing Authority Based on the IM3/HyperFACETS Thermodynamic Global Warming (TGW) Simulations

This dataset contains 40 years (1980-2019) of historical hourly meteorology and 80 years (2020-2099) of projected hourly meteorology for 54 Balancing Authorities (BAs) in the conterminous United States. Details about the scenarios and variables included in this dataset are in the readme.pdf file. This dataset is derived from the IM3/HyperFACETS Thermodynamic Global Warming (TGW) simulations (https://doi.org/10.57931/1885756). More details on the TGW approach can be found at: https://tgw-data.msdlive.org/. If you use this dataset please also cite the raw TGW dataset (Jones, A. D., Rastogi, D., Vahmani, P., Stansfield, A., Reed, K., Thurber, T., Ullrich, P., & Rice, J. S. (2022). IM3/HyperFACETS Thermodynamic Global Warming (TGW) Simulation Datasets (v1.0.0) [Data set]. MSD-LIVE Data Repository. https://doi.org/10.57931/1885756). To go from the TGW data to these BA-level aggregated data we first averaged the raw gridded data by county in the United States. That intermediate data step is also stored in MSD-LIVE (https://doi.org/10.57931/1960548). We then population-weight the county-level hourly data in order to create population-weighted meteorology time series for each BA. Historical populations are from the United States Census Bureau and the evolving future populations are based on Shared Socioeconomic Pathways (SSPs) 3 and 5. The four climate scenarios crossed with the two SSPs yield eight different future projections for each BA: rcp45cooler_ssp3, rcp45cooler_ssp5, rcp45hotter_ssp3, rcp45hotter_ssp5, rcp85cooler_ssp3, rcp85cooler_ssp5, rcp85hotterssp3, rcp85hotterssp5. For the historical period and each of the eight future scenarios the dataset has hourly estimates of the population-weighted average of five meteorological variables: Temperature, specific humidity, shortwave radiation, longwave radiation, and wind speed. All times are in Coordinated Universal Time (UTC). The code to go from the raw TGW data to county-level and then BA-level projections is available at: https://github.com/IMMM-SFA/im3components/tree/main/im3components/wrf_to_tell.

Balancing Authority↗

ESS-DIVE reporting format for leaf-level gas exchange data and metadata

Here we present documentation of the ESS-DIVE reporting format for leaf-level gas exchange data and metadata. This reporting format provides guidance to data contributors on how to store data to maximize their discoverability, facilitate their efficient reuse, and add value to individual datasets. For data users, the reporting format will better allow data repositories to optimize data search and extraction, and more readily integrate similar data into harmonized synthesis products. The reporting format specifies data table variable naming and unit conventions, as well as metadata characterizing experimental conditions and protocols. For common data types that were the focus of this initial version of the reporting format, i.e., survey measurements, dark respiration, carbon dioxide and light response curves, and parameters derived from those measurements, we took a further step of defining required additional data that would maximize the potential reuse of those data types. To aid data contributors and the development of data ingest tools by data repositories we provided a translation table comparing the outputs of common gas exchange instruments. The reporting format presented here is intended to form a foundation for future development that will incorporate additional data types and variables as gas exchange systems and measurement approaches advance in the future. The reporting format documentation is maintained and updated on the ESS-DIVE Community Space GitHub. This data package is the first published version of this reporting format, and comprises a zip file of the complete content of https://github.com/ess-dive-community/essdive-leaf-gas-exchange v1.0. The zip contains the reporting format description, guidelines, variable tables and instructions in GitHub markdown language (*.md) and 2 metadata templates as spreadsheets with drop down options (*.xlsx files, also function in GoogleSheets).

54 ENVIRONMENTAL SCIENCES↗

In situ Diagnostics of Coupled Electrochemical-Mechanical Properties of Solid Electrolyte Interphases on Lithium Metal Rechargeable Batteries (Final Technical Report)

The fundamental understanding of the coupled mechanical/chemical degradation of the SEI layer during lithium cycling will enable the project to identify the desirable mechanical properties on SEI/lithium as a system and the specific transport properties that enable the homogenous lithium stripping/plating while avoiding the mossy structure. Furthermore, it will allow the project to develop a highly impactful strategy to protect lithium metal and achieve dendrite free high cycle efficiency, which can dramatically increase the energy density of lithium batteries for EV applications. During past three years, four coherent steps have been taken to solve the coupled mechanical and electrochemical degradation: (1) Developed a comprehensive set of in-situ diagnostic techniques to investigate the coupled mechanical/chemical properties of SEI layer and its impact on lithium striping/plating. (2) Identified failure mechanisms of SEI/Li as a whole electrode system using in-situ electrochemical tools. (3) Established a design strategy of protective coatings on Li metal to extend the cycle life Li meal electrode. (4) Developed novel surface coatings as the artificial SEI layer to protect Li metal and significantly extend cycle life. During past 3-year budget period, we have published over 16 peer-reviewed paper, filed 7 patents, and given over 30 invited talks. 5 graduated students and 2 postdocs were supported by this project.

36 MATERIALS SCIENCE↗

Microbial Optical Data Processing: A Key Step in the Metabolic Assessment of Lunar Explorer Instrument for Space Biology Applications (LEIA) and Biosentinel’s Payload Data

The BioSensor payload platform on BioSentinel and LEIA autonomously collects optical data from microbial model organisms in liquid culture. The BioSensor is designed to monitor metabolic activity using absorbance measurements of cell density and alamarBlue, a readily available colorimetric redox indicator dye. BioSentinel, a pioneering NASA CubeSat, uses yeast to study deep space radiation. LEIA investigates radiation and lunar gravity response. The experimental setup includes 16 wells equipped with three LEDs (570, 630, and 850 nm) and their corresponding photodetectors. One well is a calibration control without biology while the rest have desiccated cultures. Autonomous rehydration initiates the experiment. Data from the BioSensor are received from the flight and ground units, enabling comparison to uncover location-based metabolic rate variations. This study presents a Python Jupyter notebook developed for efficient data processing of multiple CSV files containing date and time columns, temperature, and well illumination data. It offers a user-friendly interface while maintaining computational power, automatically recognizing and iteratively processing data files in a user-input path. A Hampel filter with a short window eliminates outlier artifacts from sensor dropout. Because absorbance is a relative measurement, conversion from raw illumination requires defining a “blank” value, so the first data points are averaged to provide the necessary denominator. A cube-root function correction mitigates undesired drift caused by air pockets during the fluidic card filling phase, maintaining optical path length consistency. Beer-Lambert's law is applied to further convert absorbance values to cell and dye form concentrations, the desired science parameters. The processed data are saved and visualized as SVG plots. Future plans include extracting specific science parameters from the processed data like growth rate and metabolic rate, and identification of features corresponding to metabolic and phenotypic shifts such as starvation, shifts from aerobic to anaerobic growth, and osmotic stresses.

Space biology↗

Implementation and verification of PyNE R2S with DAG-OpenMC

The mesh-based Rigorous-Two-Step (R2S) method has been widely used in the accurate estimation of the shutdown dose rate (SDR) of fusion systems. Several mesh-based R2S code has been implemented based on Monte Carlo particle transport code MCNP5 or DAG-MCNP5 and inventory calculation code such as FISPACT-II, ALARA or ACAB. Recently, the OpenMC, a community-developed Monte Carlo particle transport code, implemented the photon particle transport capability, which enables OpenMC to be used in R2S. In this paper, PyNE R2S is extended with the support of DAG-OpenMC, i.e., OpenMC with DAGMC. Modifications that allow PyNE to read the flux result in the state point file of OpenMC has been implemented to PyNE R2S workflow. A custom source routine of OpenMC that reads the photon source file from PyNE R2S and sampling photon particle in OpenMC photon transport has been implemented in OpenMC. With these modifications, PyNE R2S is now capable of performing R2S calculations with both DAG-MCNP5 and DAG-OpenMC. The ITER FNG dose rate benchmark problem has been used to validate the code. The FNG neutron source has been modified for neutron transport with DAG-OpenMC. The shutdown dose rate of 19 cooling times has been calculated and compared with the experimental data and the computational results of other R2S codes. The results of PyNE R2S with DAG-OpenMC show satisfactory agreement with the experimental data and other computational results. Therefore, we consider PyNE R2S with DAG-OpenMC is a reliable code to calculate the SDR of fusion systems.

fusion↗

EWB: The Environment WorkBench Version 4.0

The Environment WorkBench EWB is a desktop integrated analysis tool for studying a spacecraft's interactions with its environment. Over 100 environment and analysis models are integrated into the menu-based tool. EWB, which was developed for and under the guidance of the NASA Lewis Research Center, is built atop the Module Integrator and Rule-based Intelligent Analytic Database (MIRIAD) architecture. This allows every module in EWB to communicate information to other modules in a transparent manner from the user's point of view. It removes the tedious and error-prone steps of entering data by hand from one model to another. EWB runs under UNIX operating systems (SGI and SUN workstations) and under MS Windows (3.x, 95, and NT) operating systems. MIRIAD, the unique software that makes up the core of EWB, provides the flexibility to easily modify old models and incorporate new ones as user needs change. The MIRIAD approach separates the computer assisted engineering (CAE) tool into three distinct units: 1) A modern graphical user interface to present information; 2) A data dictionary interpreter to coordinate analysis; and 3) A database for storing system designs and analysis results. The user interface is externally programmable through ASCII data files, which contain the location and type of information to be displayed on the screen. This approach provides great flexibility in tailoring the look and feel of the code to individual user needs. MIRIADbased applications, such as EWB, have utilities for viewing tabulated parametric study data, XY line plots, contour plots, and three-dimensional plots of contour data and system geometries. In addition, a Monte Carlo facility is provided to allow statistical assessments (including uncertainties) in models or data.

Source record↗

A Critical Examination of Spatial Biases Between MODIS and MISR Aerosol Products - Application for Potential AERONET Deployment

AErosol RObotic NETwork (AERONET) data are the primary benchmark for evaluating satellite-retrieved aerosol properties. However, despite its extensive coverage, the representativeness of the AERONET data is rarely discussed. Indeed, many studies have shown that satellite retrieval biases have a significant degree of spatial correlation that may be problematic for higher-level processes or inverse-emissions-modeling studies. To consider these issues and evaluate relative performance in regions of few surface observations, cross-comparisons between the Aerosol Optical Depth (AOD) products of operational MODIS Collection 5.1 Dark Target (DT) and operational MODIS Collection 5.1 Deep Blue (DB) with MISR version 22 were conducted. Through such comparisons, we can observe coherent spatial features of the AOD bias while side-stepping the full analysis required for determining when or where either retrieval is more correct. We identify regions where MODIS to MISR AOD ratios were found to be above 1.4 and below 0.7. Regions where lower boundary condition uncertainty is likely to be a dominant factor include portions of Western North America, the Andes mountains, Saharan Africa, the Arabian Peninsula, and Central Asia. Similarly, microphysical biases may be an issue in South America, and specific parts of Southern Africa, India Asia, East Asia, and Indonesia. These results help identify high-priority locations for possible future deployments of both in situ and ground based remote sensing measurements. The Supplement includes a km1 file.

Shi, Y.↗

Multidisciplinary Model Transformation Through Simplified Intermediate Representations

There has long been a challenge of making engineering tools from multiple disciplines interoperate. This problem extends to system modeling practices. This challenge has been confronted with a wide variety of techniques. These techniques include attempting to interface tools together into combined suites, attempting to find underlying commonalities in mathematics, supporting connections through semantic encoding, various graph mappings and transformations, and code wrappers. All of these approaches have strengths and weaknesses. These are measured in multiple areas: relative freedom of action of individual domain engineers in developing their own tools, speed of execution, ease of creation, traceability, fidelity of information transfer, and degree of alignment between the concepts of different domains. This paper presents an approach to this interoperation problem currently being used in the World-Wide Web. The approach is to develop easy-to-parse formats that allow flexibility to both the file author and file interpreter. Many of the formats that are currently deployed sacrifice runtime performance for the ability of third parties to easily understand what to do with the data. XML became popular earlier as a de-facto standard format for many web applications, but is now being replaced by JSON to enhance human readability and provide a simpler data model. This is the basis for work in this paper. Our approach, which provides the key to interoperation, is a simplified “shrapnel” intermediate collection of objects and relationships that is the result of a breakdown of the system model into minimal pieces. It is then reassembled on the destination side, forming a two-step transformation. Previous efforts with single-step transformations have proven too difficult to create efficiently. In contrast, the use of this approach leads to an almost automatic procedure for transformation development. The Europa project is a large engineering project that must coordinate the efforts of many different teams with different specialties. The traditional form of exchanging engineering information has been documentation. The vision of model-based systems engineering is to make this information exchange much more digital. This paper presents the application of our simplified format to connecting two different engineering tools to the system model, with a focus on a dynamic mission simulation encoded in Modelica.

Cole, Bjorn↗