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DOE OSTI2024

DOE BSSD Performance Management Metrics Report Q2

The vision of the National Microbiome Data Collaborative (NMDC) centers on the concept of connecting data, people, and ideas to advance microbiome innovation and discovery. Building data infrastructure, while key to NMDC’s ability to execute on our vision, can only go so far in creating scientific impact. By fostering strong community partnerships and developing a set of robust community outreach and training programs, we are able to turn our products – the Submission Portal, NMDC EDGE, and the Data Portal – into tools that empower the scientific community. Our multi-pronged community building approach spans individual researchers, research teams, consortia and scientific societies, and institutions and federal agencies. To foster a collaborative and inclusive community-centered environment, we have identified three strategic objectives to promote an inclusive and connected community: (1) recognize and support the diverse research needs and perspectives of the microbiome research community; (2) promote best practices across the microbiome community, from researchers to funders, through community-driven practices (FAIR, CARE, and TRUST); and (3) build a microbiome ecosystem that enables scientific discovery and innovation across stakeholders. These strategic objectives allow our team to focus on impact across a diverse range of activities, from launching the American Society for Microbiology (ASM) Microbiome Data Prize to supporting the Ambassador and Champions programs fostering learning and building a collaborative network. We broadly communicate our work through social media (X/Twitter, LinkedIn, and Instagram), The Microbiome Standard (our quarterly newsletter), and Annual Reports. All our work is underpinned by a strong commitment to diversity, equity, and inclusion as articulated in our Action Plan that tracks progress towards key metrics. A core component of our engagement strategy is user research. User research ensures the Submission Portal, NMDC EDGE, Data Portal, and the new Field Notes mobile app are designed with and for the scientific community. Our user research efforts consist of asking researchers exploratory questions to collect information on researcher priorities, methodologies, and perceptions to ensure that we are aware of the current state of microbiome research. Our usability testing provides researchers with prototypes or test environments of the NMDC products, and we capture valuable information on how users interact with the products to make improvements. Given the diverse nature of microbiome work, we acknowledge that we are not aware of all pressing data challenges and thus rely on the research community to help us identify the most important issues to prioritize. To date, we have conducted 24 interviews and one beta-testing call with 10 participants across all NMDC products, which have generated 321 insights and 120 action items. Herein, we describe the ways we engage with the microbiome research community to advance the NMDC mission.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

Carbon flux estimates are sensitive to data source: a comparison of field and lab temperature sensitivity data

Abstract A large literature exists on mechanisms driving soil production of the greenhouse gases CO 2 and CH 4 . Although it is common knowledge that measurements obtained through field studies vs. laboratory incubations can diverge because of the vastly different conditions of these environments, few studies have systematically examined these patterns. These data are used to parameterize and benchmark ecosystem- to global-scale models, which are then susceptible to the biases of the source data. Here, we examine how greenhouse gas measurements may be influenced by whether the measurement/incubation was conducted in the field vs. laboratory, focusing on CO 2 and CH 4 measurements. We use Q 10 of greenhouse gas flux (temperature sensitivity) for our analyses because this metric is commonly used in biological and Earth system sciences and is an important parameter in many modeling frameworks. We predicted that laboratory measurements would be less variable, but also less representative of true field conditions. However, there was greater variability in the Q 10 values calculated from lab-based measurements of CO 2 fluxes, because lab experiments explore extremes rarely seen in situ , and reflect the physical and chemical disturbances occurring during sampling, transport, and incubation. Overall, respiration Q 10 values were significantly greater in laboratory incubations (mean = 4.19) than field measurements (mean = 3.05), with strong influences of incubation temperature and climate region/biome. However, this was in part because field measurements typically represent total respiration (Rs), whereas lab incubations typically represent heterotrophic respiration (Rh), making direct comparisons difficult to interpret. Focusing only on Rh-derived Q 10 , these values showed almost identical distributions across laboratory ( n = 1110) and field ( n = 581) experiments, providing strong support for using the former as an experimental proxy for the latter, although we caution that geographic biases in the extant data make this conclusion tentative. Due to a smaller sample size of CH 4 Q 10 data, we were unable to perform a comparable robust analysis, but we expect similar interactions with soil temperature, moisture, and environmental/climatic variables. Our results here suggest the need for more concerted efforts to document and standardize these data, including sample and site metadata.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Development of POTATO for 2S Module Grading for the CMS Phase-2 Outer Tracker Upgrade

Due to the High Luminosity-Large Hadron Collider (HL-LHC) upgrade, several detectors of the Compact Muon Solenoid (CMS) will need to be replaced, specifically the new Outer Tracker (OT) that will be assembled with 13,200 silicon modules. The OT is composed of two types of modules; the PS (pixel-strip) and the 2S (strip-strip) modules. With a large influx of production of modules, extensive testing is required to ensure quality of the modules. This research introduces POTATO (Phase-II Outer Tracker Analyzer of Test Outputs), a specialized software developed in C++ to analyze, grade, and store results in a centralized database. Module data will be collected from various international production facilities. The implementation of POTATO will facilitate with selecting the best performing modules for the Outer Tracker upgrade. This research is focused on the implementation of the analysis of 2S Module results within POTATO.

Klupshas, Anna↗

DOE OSTI2023

Data-Driven Buy Clean: Decarbonization and Beyond

This report was compiled to provide recommendations on the availability of public background data from the U.S. Federal life cycle assessment (LCA) Data Commons to be conformant with the Association for Life Cycle Assessment (ACLCA) 2022 Product Category Rule (PCR) Open Standard to build technical tools that can assist industry in creating more comparable Type II Environmental Product Declarations (EPDs) for Federal Buy Clean and sustainability initiatives. The Federal LCA Commons is not only a public data source but also a consistently structured, self-referencing mega-repository for data developed by federal agency experts (in agency repositories) and by academia, nonprofit organizations, and industry (via the US Life Cycle Inventory Database). The Federal LCA Commons Technical Working Group is continuously improving the standardization of data documentation, formatting, and nomenclature to ensure lossless data loading and accurate data representation. This report and appendixes include the following: 1) An introduction to data-driven Buy Clean and decarbonization initiatives at the federal level; 2) The current status and associated challenges with LCA data and EPD standards and comparability; 3) Opportunities for the Federal LCA Commons to support conformance with the ACLCA 2022 PCR Open Standard and provide resources to implement the Federal Sustainability Plan, Buy Clean Program, and Inflation Reduction Act (IRA) sustainability goals and objectives. To date, the Federal LCA Commons is the result of coordinated work by National Renewable Energy Laboratory (NREL), the U.S. Department of Agriculture (USDA), the Environmental Protection Agency (EPA), the National Energy Technology Laboratory (NETL), the Argonne National Laboratory (ANL), the U.S. Army Corps of Engineers (USACE), the Federal Highway Administration (FHWA), the U.S. Forest Service (USFS), the Federal Aviation Administration (FAA), the Department of Defense (DoD) and the National Institute of Standards and Technologies (NIST). The Federal LCA Commons will continue to combine databases from the collaborating agencies while remaining a public resource. There are several initiatives among the collaborating agencies to expand the Federal LCA Commons and dedicated federal funding and resources could accelerate and strengthen these initiatives.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2021

Multiomics Data Collection, Visualization, and Utilization for Guiding Metabolic Engineering

Biology has changed radically in the past two decades, growing from a purely descriptive science into also a design science. The availability of tools that enable the precise modification of cells, as well as the ability to collect large amounts of multimodal data, open the possibility of sophisticated bioengineering to produce fuels, specialty and commodity chemicals, materials, and other renewable bioproducts. However, despite new tools and exponentially increasing data volumes, synthetic biology cannot yet fulfill its true potential due to our inability to predict the behavior of biological systems. Here, we showcase a set of computational tools that, combined, provide the ability to store, visualize, and leverage multiomics data to predict the outcome of bioengineering efforts. We show how to upload, visualize, and output multiomics data, as well as strain information, into online repositories for several isoprenol-producing strain designs. We then use these data to train machine learning algorithms that recommend new strain designs that are correctly predicted to improve isoprenol production by 23%. This demonstration is done by using synthetic data, as provided by a novel library, that can produce credible multiomics data for testing algorithms and computational tools. In short, this paper provides a step-by-step tutorial to leverage these computational tools to improve production in bioengineered strains.

09 BIOMASS FUELS↗

DOE OSTI2025

Global QCD analysis of spin PDFs in the proton with high-𝑥 and lattice constraints

We perform a comprehensive global QCD analysis of spin-dependent parton distribution functions (PDFs), combining all available data on inclusive and semi-inclusive deep-inelastic scattering (DIS), as well as inclusive weak boson and jet production in polarized 𝑝⁢𝑝 collisions, simultaneously extracting spin-averaged PDFs and fragmentation functions. Including recent Jefferson Lab DIS data at high 𝑥, together with subleading power corrections to the leading-twist framework, allows us to verify the stability of the PDFs for 𝑊 2 ≥ 4 GeV 2 and quantify the uncertainties on the spin structure functions more reliably. We explore the use of new lattice QCD data on gluonic pseudo-Ioffe time distributions, which, together with jet production and high-𝑥 DIS data, improve the constraints on the polarized gluon PDF. The expanded kinematic reach afforded by the data into the high-𝑥 region allows us to refine the bounds on higher-twist contributions to the spin structure functions, and test the validity of the Bjorken sum rule.

Perturbative QCD↗

DOE OSTI2024

Development of POTATO for 2S Module Grading for the CMS Phase-2 Outer Tracker Upgrade

Due to the High Luminosity-Large Hadron Collider (HL-LHC) upgrade, several detectors of the Compact Muon Solenoid (CMS) will need to be upgraded, specifically the new Outer Tracker detector that will be composed of 13,200 silicon modules. The Outer Tracker features two types of modules; the PS (pixel-strip) and the 2S (strip-strip) modules. With a large influx of production of modules, extensive testing is required to ensure they fulfill the performance requirements. This research introduces POTATO (Phase-II Outer Tracker Analyzer of Test Outputs), a specialized software developed in C++ to analyze, grade, and store results in a centralized database since module data will be collected from various international production facilities. The implementation of POTATO will facilitate the selection of the best performing modules for the Outer Tracker upgrade. This paper is focused on the implementation of the analysis of 2S Module results within POTATO.

43 PARTICLE ACCELERATORS↗

DOE OSTI2020

Performance and long-term stability of CO 2 conversion to formic acid using a three-compartment electrolyzer design

The electrochemical reduction of CO 2 to formate and formic acid has attracted a great amount of academic and commercial interest over the past five years. A number of experimental studies have generated data on the Faradaic performance and stability of various candidate catalyst materials in producing formate or formic acid. However, most of the data has been conducted at low current densities and over short time periods, typically hours to days. There is a critical need in providing long-term catalyst stability as well as electrolyzer-based operating data, which are needed for the commercial scale-up and operation of this technology, especially at high current densities. In this paper, the electrochemical CO 2 conversion to pure formic acid was conducted using a three-compartment design electrolyzer, demonstrating electrolyzer catalyst and performance stability for over 1000 h at current densities up to 200 mA cm -2 . Depending on the operation conditions, the electrolyzer directly produced a 6.03 to 12.92 wt% (1.3 to 2.8 M) formic acid product at Faradaic efficiencies ranging between 73.0 to 91.3%. Data on electrolyzer performance, including formic acid product generation rate, energy efficiency, and energy consumption are reported at three different current densities, 100, 200, and 250 mA cm -2 . Finally, a long term 1000 h electrolyzer stability run at 200 mA cm -2 is presented, providing information on the operating conditions required in obtaining stable electrolyzer performance. All the data will be extremely useful in the commercial scale-up of this technology.

10 SYNTHETIC FUELS↗

DOE OSTI2026

Solving challenges in QCD 3D partonic distributions

The superior luminosity and high polarization of CEBAF, combined with the high resolution and excellent particle identification capabilities of its detectors, as well as the ability for multidimensional and multiparticle detection using polarized targets, make Jefferson Lab uniquely positioned to disentangle the genuine intrinsic transverse structure of hadrons encoded in 3D partonic distributions—particularly in the kinematic regime dominated by valence quarks. The inclusion of Jefferson Lab data on semi-inclusive and hard exclusive hadron production has the potential to dramatically advance our understanding of non-perturbative QCD dynamics. Although a wealth of data from various Jefferson Lab experiments is already available, its incorporation into phenomenological studies has been slow, and a significant portion of data from other leptoproduction experiments is still missing from global fits. In this contribution, we discuss the existing challenges and outline a path forward for improving the analysis of low center-of-mass electroproduction experiments in general, and Jefferson Lab data in particular.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2023

Search for CP violation in t$\overline{\textrm{t}}$H and tH production in multilepton channels in proton-proton collisions at $\sqrt{s}$ = 13 TeV

The charge-parity (CP) structure of the Yukawa interaction between the Higgs (H) boson and the top quark is measured in a data sample enriched in the t$\overline{t}$H and tH associated production, using 138 fb -1 of data collected in proton-proton collisions at $\sqrt{s}$ = 13 TeV by the CMS experiment at the CERN LHC. The study targets events where the H boson decays via H → WW or H → ττ and the top quarks decay via t → Wb: the W bosons decay either leptonically or hadronically, and final states characterized by the presence of at least two leptons are studied. Machine learning techniques are applied to these final states to enhance the separation of CP -even from CP -odd scenarios. Two-dimensional confidence regions are set on $κ$ t and $\widetilde{k}$t, which are respectively defined as the CP -even and CP -odd top-Higgs Yukawa coupling modifiers. No significant fractional CP -odd contributions, parameterized by the quantity |$f^{Htt}_{CP}$| are observed; the parameter is determined to be |$f^{Htt}_{CP}$| = 0.59 with an interval of (0.24, 0.81) at 68% confidence level. The results are combined with previous results covering the H → ZZ and H → γγ decay modes, yielding two- and one-dimensional confidence regions on $κ$ t and $\widetilde{k}$t, while |$f^{Htt}_{CP}$| is determined to be |$f^{Htt}_{CP}$| = 0.28 with an interval of |$f^{Htt}_{CP}$| < 0.55 at 68% confidence level, in agreement with the standard model CP -even prediction of |$f^{Htt}_{CP}$| = 0.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

Navigating Economies of Scale and Multiples for Nuclear-Powered Data Centers and Other Applications with High Service Availability Needs

Nuclear energy is increasingly being considered for such targeted energy applications as data centers in light of their high capacity factors and low carbon emissions. This paper focuses on assessing the tradeoffs between economies of scale versus mass production to identify promising reactor sizes to meet data center demands. A framework is then built using the best cost estimates from the literature to identify ideal reactor power sizes for the needs of the given data center. Results should not be taken to be deterministic but highlight the variability of ideal reactor power output against the required demand. While certain advocates claim that with the gigawatts of clean, firm energy needed, large plants are ideal, others advocate for SMRs that can be deployed in large quantities and reap the benefits from learning effects. The findings of this study showcase that identifying the optimal size for a reactor is likely more nuanced and dependent on the application and its requirements. Overall, the study does show potential economic promise for coupling nuclear reactors to data centers and industrial heat applications under certain key conditions and assumptions.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2026

Terrestrial laser scanning data (Levels 0 and 1) from Urban Biogeochemistry Pilot Project sites, Knoxville, Tennessee, Jul 2024 - Jul 2025

This data package contains data from terrestrial laser scanning (TLS) at five urban park sites in Knoxville, Tennessee, USA. All parks include open-grown and/or closed-canopy trees and mixed nearby land use. These study sites were established as part of the Urban Biogeochemistry Pilot Project, which has an overall goal of better understanding how hydrobiogeochemical cycling is altered within the human environment. These five sites represent a gradient of urbanization, and were instrumented to understand hydrological and biogeochemical cycling (e.g., soil moisture, soil physical properties and biogeochemistry, tree transpiration, species type). The TLS data archived here were collected to provide detailed, three-dimensional information about forest structure. Specifically, data were collected to allow tree- and stand-level characterization of woody structure and leaf area. TLS scans were placed to capture the area around trees with sap flow sensors, and as much of a 50 m radius area around the meteorological station as possible given site property limits. Derived products will allow upscaling of water content and transpiration data. This data package contains the following data: - High-level files document further details of the campaign and data package: 1_CampaignSummary.csv provides details about the campaign and study site, 2_ScanAreasDetail.csv provides details about each separate scan area (groups of scans post-processed into a single point cloud), 3_TerrestrialLidarSensor.csv provides further technical details about the Riegl VZ-400i TLS sensor, TLS_CSV_dd.csv is a CSV Data Dictionary providing information about the fields in CSV files following the ESS-DIVE CSV File Formatting Guidelines Reporting Format, TLS_flmd.csv is a File Level Metadata file providing information about each file in the data package following the ESS-DIVE File Level Metadata Reporting Format, and README.txt is a text file describing the overall project and file structure. - Level 0 data are the raw data (.PROJ folders) as recorded by the Riegl VZ-400i TLS instrument before scan co-registration and post-processing with the Riegl's proprietary RiSCAN PRO software, which requires a license. - Level 1 data contain post-processed, co-registered data from each scan area. The "PointClouds" folder for each scan area contains a .las file with 1 cm resolution point cloud data exported from RiSCAN PRO. These are the main files likely to be of interest to most users and can be further processed with any software capable of manipulating .las files (e.g. Python, R CloudCompare). The "Project Information" folder contains log files from post-processing in RiSCAN PRO that may be of interest to users who want to see detailed records of post-processing, including all PDF reports generated by RiSCAN PRO. The "ScanPositions" folder contains information about the final position of all TLS scans, after post-processing, in multiple formats. The file ScanPositions_*.csv provides final geo-referenced scan positions, and the file SOP_backup_*.csv can be used in RiSCAN PRO to restore the co-registered scan positions if users wish to re-process raw data (Level 0 .PROJ folders) with RiSCAN PRO software (e.g., subsample to a different resolution, exclude a certain scan position, or apply different filters on reflectance or deviation values) without redoing time-consuming co-registration steps.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

(U) A Theoretical Study of Asay Foil Trajectories (V.02)

We consider the trajectory of a generic Asay foil ejecta momentum diagnostic sensor, for scenarios where ejecta are produced at a planar surface and fly ballistically through a perfect vacuum to the sensor. To do so, we build upon a previously established mathematical formalism derived for the analytic study of stationary sensors (i.e., piezopins). First, we derive the momentum conservation equation for the problem, in a form amenable to accelerating sensors, in terms of a generic ejecta source areal mass function (“source model”). This defines an integro-differential equation (IDE) for the foil trajectory. When ejecta production is instantaneous - as is generally assumed in momentum diagnostic data analyses - the IDE leads to an implicit and easily calculable closed-form solution for the foil trajectory in a perfect system, as long as the ejecta particle velocity distribution is twice-integrable. General properties of the instant-production trajectory solution indicate the existence of a boundary condition the particle velocity distribution must satisfy in order for the analytically predicted foil trajectories to be compatible with certain features commonly observed in foil data. This boundary condition is identical to one derived previously from a consideration of piezopin data. Armed with the analytic solution for instant production, we also consider various techniques used to extract time-dependent cumulative ejecta masses from foil trajectories, and derive an expression for the error imposed by using an approximated equation of motion. This analytic trajectory solution furthermore makes it possible to examine the common practice of presenting inferred cumulative ejecta masses as a function of a normalized implied velocity; we derive conditions under which this methodology is and is not meaningful. We also propose a strategy for extending the instant-production trajectory solution to time-dependent source functions.

42 ENGINEERING↗

DOE OSTI2024

ENDF/B-VIII.1: Alpha Reaction Sublibrary

The alphas sublibrary aims to describe nuclear reactions between incident alpha particles and different nuclei. For ENDF/B-VIII.1, the LLNL ECPL evaluation for 6Li, and the JENDL-based NNL evaluations of 9 Be and 16,17 O were adopted. Also, there were minor fixes done to 4 He.