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DOE OSTI2023

Theory and Simulation of Ultrafast Multidimensional Nonlinear X-ray Spectroscopy of Molecules (Final Report)

Emerging X-ray free electron laser (XFEL) beam sources offer new types of probes of matter with unprecedented spatial and temporal resolutions. These experimental advances must be met by robust theoretical and computational tools that provide predictive modeling capacity of the underlining electronic and structural dynamics. The latter will be essential for the design of sophisticated multi-pulse experiments and for their interpretation. The proposed research effort will focus on developing cutting- edge simulation tools for nonlinear multidimensional X-ray/optical spectroscopies and aims to address key questions in Priority Research Opportunities 1 (Probing and controlling electron motion within a molecule) and 3 (Capturing rare events and intermediate states in the transformation of matter) as mentioned in the BES Roundtable Report “Opportunities for Basic Research at the Frontiers of XFEL Ultrafast Science”. XFEL multidimensional nonlinear techniques, which combine sequences of X-ray and possibly optical pulses, provide a unique experimental toolbox for probing the dynamics of core and valence electronic excitations, as well as material structure. Predictive modeling of these dynamical processes requires the combination of analytical theory for nonlinear interactions of light and matter, robust quantum-chemical methodologies for the accurate description of electronic structure of various materials, and multiscale ab initio electron and nuclear dynamics techniques operating beyond Born-Oppenheimer approximation. These challenges will be addressed with three research thrusts (i) Develop and implement theoretical apparatus for modeling a broad range of multidimensional spectroscopic techniques enabled by present and upcoming XFEL facilities. This thrust also includes the incorporation of a computational module in the DOE supported open-source NWChem computational chemistry package as well as the development of other open-source codes ready for dissemination across a broad user base; (ii) Propose and design new multi-pulse experiments that make use of the capabilities of the incoming LCLS-II facility; (iii) Perform selected applications to specific molecular systems that can be carried out at LCLS-II and demonstrate how these X-ray sources may be used to study nonadiabatic dynamics through conical interactions, electronic correlations in multi-core excitons, and charge transfer/energy transfer processes. The proposed research will be carried out by a multi-disciplinary four-institution research team which combines academia and national laboratories and spans the broad and necessary expertise in theoretical spectroscopy, nonlinear optics, quantum chemistry, molecular non-adiabatic dynamics and code development. The work will be performed in a highly interactive team environment with junior researchers shared between institutions thus cementing cross- disciplinary interactions. The developed simulation tools will be immediately deployed for XFEL facility users, both experimentalists and theorists, via freely distributed codes and databases. Altogether, this project will facilitate establishing XFEL-based multidimensional spectroscopies as a novel diagnostic tool for monitoring electronic and structural dynamics in molecular materials.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2023

Semi-Annual Report for Horizontal Compact High Temperature Gas Reactor (HC-HTGR) Development during Performance Period October 2022-March 2023

Horizontal Compact High Temperature Gas Reactor (HC-HTGR) is being designed by a multi-disciplinary team of nuclear, mechanical, and structural engineers under the support of a DOE-NE Advanced Reactor Demonstration Program’s Advanced Reactor Concepts-20 (ARC-20) award. The objective of this ARC-20 project is to deliver a conceptual design for the proposed HC-HTGR in 3 years and support its commercialization as a safe, low-cost HTGR. Argonne National Laboratory (Argonne) is responsible for the design and analysis of the reactor cavity cooling system (RCCS) as a safety system for passive decay heat removal of the reactor concept. Additionally, Argonne is providing analysis of the primary heat transport system to ensure temperatures in the reactor systems, structures and components with significant safety margins during normal operation and design basis accident scenarios. This third semi-annual report summarized the progress made at Argonne on the two tasks during the first half of FY23. As a part of the RCCS design task, a design process for the water panel and the system configuration was performed to improve the thermal performance of the RCCS. The updated water panel design had achieved enhanced thermal performance with 0.96 MWth capability with major design updates made in structural interfaces with the RPV and initial configuration of the water tanks. The loop configuration of the RCCS has been proposed to have two independently working loops for system redundancy. A water panel material study was performed focusing on the use of carbon steel in water systems. Additional modeling strategies of primary system thermal fluids analyses were developed to meet modeling needs that are not well suited for the 1D-3D assembly level approach. The first of these is a reduced order assembly model, in which fuel centered unit cells are used to represent a fuel assembly. The 2D approach used in this model is much more computationally efficient, making this model useful for full core transient scenarios where fuel to coolant heat transfer is still the dominant flow path. The next model is the 3D core conduction model to be used to analyze decay heat removal in loss of primary system flow scenarios. Because these scenarios require a large domain to be modeled, a homogenized core model is being pursued to reduce the required computational costs. To accurately model decay heat scenarios it is necessary to couple a RCCS model to the 3D core conduction model. A simplified case is presented to demonstrate how the coupling methodology will be applied to the full core 3D conduction model.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2023

Abstract for CRADA among NETL, Mälardalen University, University College Cork (acting through its Tyndall National Institute), and Micro Electricity Generation Association

GeoCoHorT aims to accelerate the transition to 4 th generation district heating and cooling (4GDHC) in Europe and globally, by assessing, optimizing, and demonstrating the integration of shallow geothermal heat extraction with other renewable sources and smart buildings. The target geo-source is ground water from River Shannon (Limerick, Ireland), which will provide both an efficiency and noise-reduction benefit to the micro-district and a method of combatting climate-change-warming of the Shannon Estuary. The heat from this low-temperature source will be recycled and supplied to a smart district located in Limerick, Ireland, through heat pumps powered by renewable electricity and by means of a suitable DH network design. The mandate is to find solutions that work for entire communities in a fair and sustainable manner, with the involvement of the communities themselves to highlight their needs. The project brings together four partners from Ireland, Sweden, and the U.S.A. with strong multi-disciplinary competencies. The Tyndall Institute at University of Cork (UCC) and Mälardalen University (MDU) will design and optimize the 4GDH micro-district system, and the Micro Electricity Generation Association (MEGA) will work with the community to build a sense of ownership of the Climate Challenge and ensure close community involvement. The National Energy Technology Laboratory of the U.S. Department of Energy (NETL) will design the prospective geo-fluid loop to optimize heat-extraction effectiveness with ecological safety and assess the environmental benefits of the proposed solutions. Industrial advisors (Eskilstuna Strängnäs Energi och Miljö (ESEM) and Mimer in Sweden, and Smart MPOWER in Ireland) will steer the technology development to meet the needs of public utilities and consumers. Current infrastructure in the smart district in Limerick (demonstration site of an EU Lighthouse project) will be exploited and modified with support of MEGA, UCC, and MPOWER to integrate micro-DH from low-temperature heat sources, such as the river heat, and to allow increasing penetration of prosumers in the grid. Additional case studies will be developed with the help of industrial advisors to extend the results to other regions (e.g., Sweden and USA) and provide valuable insights for the development of 4GDH worldwide.

15 GEOTHERMAL ENERGY↗

DOE OSTI2023

Wound-Field Synchronous Machine-System Integration toward 8X Power Density and Commercialization

In support of VTO's Electric Drive R&D activity, the Electric Drive Technologies (EDT) Consortium, a multi-disciplinary team of national labs and universities, coordinates and conducts a portfolio of research to advance the state-of-the-art in electric drive technologies. The Consortium established the following strategic goal listed below: (EDT Research Consortium Strategic Goal (compared to 2015 baseline)) A 125K electric traction drive system: (1) 8X power density improvement, or 1/10 the volume (33 kW/L), (2) 1/2 the cost ($\$$3.3/kW), (3) 2X useful life (300,000 miles), and (4) 100 kW/L inverter and a <20,000 rpm, 50kW/L electric motor The objective of this project is to design a Wound Field Synchronous Machine with 8X power density improvement and cost below $\$$3.3/kW.

42 ENGINEERING↗

DOE OSTI2023

Semi-Annual Report for Horizontal Compact High Temperature Gas Reactor (HC-HTGR) Development during Performance Period April 2023 – September 2023

Horizontal Compact High Temperature Gas Reactor (HC-HTGR) is being designed by a multi-disciplinary team of nuclear, mechanical, and structural engineers under the support of a DOE-NE Advanced Reactor Demonstration Program’s Advanced Reactor Concepts-20 (ARC-20) award. The objective of this ARC-20 project is to deliver a conceptual design for the proposed HC-HTGR in 3 years and support its commercialization as a safe, low-cost HTGR. Argonne National Laboratory (Argonne) is responsible for the design and analysis of the reactor cavity cooling system (RCCS) as a safety system for passive decay heat removal of the reactor concept. Additionally, Argonne is providing analysis of the primary coolant system to ensure temperatures within the core remain below safety margins during steady-state and potential accident scenarios. This fourth semi-annual report summarized the progress made at Argonne on the two tasks during the second half of FY23. As a part of the RCCS design task, recent efforts have been made to complete a conceptual design of the RCCS for the HC-HTGR, including the design update of the water panel and system configuration favorable in point of view of fabrication and system operation. Design calculations were conducted under various heat load conditions to validate the system design. Transient simulations using RELAP5-3D were conducted to investigate system dynamics under transients of interest and to evaluate the system performance in the design condition. The results demonstrated the overall system feasibility that the RCCS design maintains structures temperatures lower than maximum allowable temperature with sufficient system inventory without any active heat sink. In the primary system thermal hydraulics task, the preliminary analysis was performed for a long term pressurized conduction cooldown (PCC) transient. This analysis used a combination of a fully resolved and coarse homogenized mesh to predict the temperature distribution for the steady-state initial condition and the PCC transient. The steady-state initial condition was determined using a fully resolved full core model with 3D solid to 1D fluid coupling. The fully resolved mesh was also used to model the first 20 seconds of the PCC. The temperature difference between fuel pins and the graphite matrix becomes minimal and the dominant heat transfer shifts to a larger scale radially towards the RCCS. After 20 seconds, a homogenized coarse mesh is used, greatly reducing the computational costs of the model. These results demonstrate that the core is designed to passively remove enough decay heat in a protected loss of primary coolant flow to prevent an unsafe rise of core temperatures.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2023

Quantum Computing for Biomedical Computational and Data Sciences: A Joint DOE-NIH Roundtable

The overlap of quantum computing and biomedical research, while less explored, presents significant near-term opportunities. The Department of Energy (DOE) and the National Institutes of Health (NIH) are interested in exploiting the DOE community’s capabilities and expertise in quantum computing to potentially advance biomedical research, targeting fundamental studies of biological and molecular structures, understanding of human health as well as mental and physical disorders and diseases, and deriving insights from clinical data. NIH’s approach to quantum computing is guided by its Strategic Plan for Data Science, emphasizing the importance of findable, accessible, interoperable, and reusable (FAIR) data assets, security and privacy of data, and efficient computing and storage. DOE’s Office of Science (SC), and more specifically the Advanced Scientific Computing Research (ASCR) program, supports quantum information science (QIS) research, contributing to a unique portfolio of quantum computing and communications expertise. This roundtable was assembled to consider the opportunities and challenges in the near-, medium-, and long-term at the intersection of quantum computing, data science, and biomedical research and how these could be addressed through inter-agency collaboration and multi-disciplinary partnerships.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2023

A Conceptual Design of the Reactor Cavity Cooling System for the Horizontal Compact High Temperature Gas Reactor (HC-HTGR)

Horizontal Compact High Temperature Gas Reactor (HC-HTGR) is being designed by a multi-disciplinary team of nuclear, mechanical, and structural engineers under the support of a DOE-NE Advanced Reactor Demonstration Program’s Advanced Reactor Concepts-20 (ARC-20) award. The objective of this ARC-20 project is to deliver a conceptual design for the proposed HC-HTGR in 3 years and support its commercialization as a safe, low-cost HTGR. Argonne National Laboratory (Argonne) is responsible for the design and analysis of the reactor cavity cooling system (RCCS) as a safety system for passive decay heat removal of the reactor concept. This report documents the design study to derive a conceptual design study of the RCCS for the HC-HTGR. It includes the identification of the functions and requirements of the HC-HTGR RCCS, design analyses including high-level design consideration and the calculations for optimizing design space of the system with supporting component-level analysis to inform the material selection and performance of the water panel, the description of the conceptual design of the HC-HTGR RCCS derived based on the analyses results, and performance evaluation of the conceptual RCCS for the HC-HTGR. A detailed concept of the RCCS has been identified and high-level system requirements has been developed for the HC-HTGR. Design space focusing on the natural circulation loop portion of the RCCS has been investigated to optimize the system performance. The initial baseline dimensions were firstly derived based on the scoping calculations. A component level design analysis was conducted for the water panel to inform the material selection and to assess its conduction performance. A preliminary system-level performance analysis was performed for the 1/8th of the compartment of the initial baseline design of the RCCS using RELAP5-3D. To improve the system thermal performance, the RCCS design has been updated by exploring various design options by design parametric analyses. Based on the results, the conceptual design of the RCCS for the HC-HTGR has been derived, which satisfies the target performance of ~1 MWt at the elevated vessel wall temperature conditions. Transient simulations were conducted for the conceptual RCCS design for the HC-HTGR under various operation modes and heat load conditions using RELAP5-3D. The system dynamics in different operating states was investigated and the system performance under transients of interest was evaluated. The results demonstrated the overall system feasibility that the RCCS design maintains structures temperatures lower than maximum allowable temperature with sufficient system inventory without any active heat removal in the design process with certain transients addressed. The HC-HTGR RCCS will have additional design updates of subsystems or optimization of the system components during the preliminary and final design phases. Since the entire plant has not been integrated yet, this delivered conceptual design is subject to changes for integration, that require additional conceptual design activities and Quality and Assurance implementation (Q&A). The performance assessment of the RCCS for the HC-HTGR will be then revisited and optimized to finalize the system design, and the RCCS integrated primary system analysis will be utilized to simulate selective accident scenarios of interest where efforts are currently undergoing in the project.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2024

Understanding a Stratigraphic Hydrothermal Resource – Geophysical Imaging at Steptoe Valley, Nevada

Sandia National Laboratories partnered with a multi-disciplinary group of subject matter experts to evaluate a stratigraphic geothermal resource in Steptoe Valley, Nevada using both established and novel geophysical imaging techniques. The stratigraphic reservoir in northern Steptoe Valley was previously discovered during oil and gas exploration. Subsequent studies, such as the Nevada Play Fairway Analysis, included data which further highlighted potential resource targets in the basin. Geophysical surveys, complemented with refined geologic mapping and geochemical sampling, were deployed to further characterize the resource. The resulting 3D geologic interpretation, conceptual model refinements, and reservoir simulations suggest that a >100MWe power-capable reservoir is likely economically accessible using conventional well placement and stimulation techniques in the Paleozoic carbonates of the deep/central basin of northern Steptoe Valley. Additional geophysical characterization and exploration drilling efforts are recommended to calibrate interpretation and determine where/how to potentially develop the northern Steptoe resource. The geophysical tools, interpretations, lessons learned, and public data generated by this study establish an exploration methodology to inform decisions for characterization and development of northern Steptoe Valley and other stratigraphic geothermal reservoirs in the western U.S.

15 GEOTHERMAL ENERGY↗

DOE OSTI2024

Ecosystems and Networks Integrated with Genes and Molecular Assemblies (ENIGMA): Molecular and Computational Technologies for Environmental Microbiology (Final Scientific/Technical Report)

The ENIGMA science focus area (SFA) is a multi-disciplinary, multi-institutional research effort focused on addressing foundational knowledge gaps in environmental microbial communities by studying groundwater and sediment microbiomes in the shallow subsurface at the contaminated Oak Ridge Reservation (ORR). We seek to discover and characterize the reciprocal interactions between the microbial communities and the geochemical and geophysical parameters of the shallow subsurface within the contamination plume. The primary goal of this subcontract was to develop experimental and computational tools to advance our understanding of microbial adaptation and community assembly in contaminated environments, with specific efforts in high-throughput genomic methods, microbial ecology tools, and studies of heavy metal contamination impacts.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Process systems engineering enables efficient and sustainable membrane-based critical material separations

This presentation summarizes work completed over the past year for PrOMMiS Task 2.1. The first half of the preseation motivates the need to develop sustainable critical mineral separation technology, and how PSE is particularly well-suited to tackle this problem. The second half of the presentation presents preliminary results for the custom cost model for diafiltration (2.1) using the superstructure flowsheet developed by Carnegie Mellon University. The presentation serves to emphasize the multi-disciplinary and collaborate nature of developing a circular economy of critical minerals and materials.

Dougher, Molly↗

DOE OSTI2024

Wind Energy Instrumentation Development Roadmap

The current instrumentation for observing the complex flow fields in and around wind plants struggles to match the fidelity of existing simulation tools. As a result, these measurement limitations create a hurdle for validating and assessing the quality of the wind plant numerical models. This roadmap for instrumentation development recommendations was created to offer guidance on narrowing the gap between measurement and simulation fidelity. A process was established to identify where gaps in instrumentation exist for wind energy test campaigns by analyzing the capabilities of instrumentation for capturing the various important phenomena at the necessary resolution for both the science goal and validation objectives. To this end, a multi-disciplinary team of experts on instrumentation, wind energy, and atmospheric science was assembled to identify these significant instrumentation needs. A recommendation for instrumentation to be developed is provided, and the framework developed through this process is expected to be useful to the design of future test campaigns. The mapping tools developed for this process will be distributed as part of a future International Energy Agency Wind Technology Collaboration Program task on instrumentation development.

17 WIND ENERGY↗

DOE OSTI2024

Primary System Thermal Fluids Analysis Model Development for the Compact High Temperature Gas Reactor (HC-HTGR) (Final Report)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2024

Thermo-Mechanical Analysis of Irradiated MURR LEU Fuel Plates

The University of Missouri Research Reactor (MURR®) is a multi-disciplinary research and education facility providing a broad range of analytical, materials science, and irradiation services to the research community and the commercial sector. MURR is one of five U.S. high performance research reactors (USHPRR), plus one critical facility, actively collaborating with the National Nuclear Security Administration (NNSA) Material Management and Minimization (M 3 ) Reactor Conversion Program to convert from the use of highly enriched uranium (HEU, ≥ 20 wt% U 235) to low-enriched uranium (LEU, < 20 wt% U-235) fuel. All USHPRR, including MURR, completed designs with a new type of very high-density LEU fuel based on an alloy of uranium and 10-weight percent molybdenum (U-10Mo) for conversion to LEU fuel.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

Preliminary Thermo-Mechanical Analysis of Irradiated MURR LEU Fuel Element

The University of Missouri Research Reactor (MURR) is a multi-disciplinary research and education facility providing a broad range of analytical, materials science, and irradiation services to the research community and the commercial sector. MURR is one of five U.S. high performance research reactors (USHPRR), plus one critical facility, that is actively collaborating with the National Nuclear Security Administration (NNSA) Material Management and Minimization (M3) Office of Reactor Conversion and Uranium Supply to convert from the use of highly enriched uranium (HEU, ≥ 20 wt% U-235) to low-enriched uranium (LEU, < 20 wt% U-235) fuel. A new type of very high-density LEU fuel based on an alloy of uranium and 10-weight percent molybdenum (U-10Mo) is expected to allow the conversion of some USHPRR, including MURR, to LEU fuel.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2025

Cell to Ecosystem: Understanding Methane and Associated Nutrient Cycling by Sediment Hosted Syntrophic Consortia and Their Viral Predators

The anaerobic oxidation of methane (AOM) is a significant worldwide microbial process in anoxic lake and ocean sediments, responsible for sequestering up to 80% of this greenhouse gas. Often considered a metabolism on the edge of thermodynamic probability, the impact of ANaerobic MEthane-oxidizing ‘ANME’ archaea on carbon and nutrient cycling in sediment ecosystems is far reaching. They not only serve as a sink for methane coupled to diverse electron acceptors, but also catalyze the transformation of many important nutrients including nitrogen, phosphate, and iron. While information about the potential mechanisms supporting metabolism in AOM is now available, remarkably little has been learned about their nutritional requirements, their dependencies on bacterial partners, and consequentially their ultimate impact on nutrient transformation and bioavailability within sedimentary ecosystems, and beyond. Further, the role of viruses within sediment ecosystems represents an essential but vastly understudied aspect of the transformation of carbon and nutrients by AOM. Viruses are now widely appreciated as central players in biogeochemical cycles across diverse ecosystems. These nanoscale predators have been shown to enhance the turnover of essential nutrients, thus stimulating microbial growth and environmental viruses themselves may constitute an important reservoir of nitrogen and phosphorous. Little is known about the role of viruses in methane-impacted sedimentary ecosystems, however prior genomic and microscopy evidence suggests that AOM consortia are susceptible to phage infection. The overarching scientific goal of this multi-disciplinary research proposal is to build on these recent discoveries and expand our understanding of interactions and fundamental activities involved in cycling of carbon and nutrients by syntrophic methanotrophic archaeal-bacterial consortia and associated viruses in anoxic sedimentary environments. Our three specific objectives are to 1) Quantify energy and nutrient exchange (e.g. N, P, Fe and vitamins) within AOM consortia and between ANME-bacterial partners; 2) Identify virus-host interactions associated with AOM and assess C and N transfer through viruses in methane-impacted sediment ecosystems; 3) Model energy and nutrient exchange in AOM consortia and viral-host interactions (i.e. viral activity), and their environmental distribution patterns. Our experimental emphasis cuts across scales that are important for understanding microbial and viral interactions and activities within their habitats, as well as community wide biogeochemical transformations. These research goals will be accomplished through the application of novel molecular techniques targeting DNA, RNA, proteins, and metabolites combined with a unique multi-modal analytical imaging pipeline. We will then model the ecophysiological capabilities of diverse sediment-hosted methanotrophic consortia to develop a more comprehensive understanding of the energetic and nutritional interactions between different AOM partner couplings that occur in sediments.

03 NATURAL GAS↗

DOE OSTI2025

LDRD 2024 Annual Report: Laboratory Directed Research and Development Program Activities

One fundamental question underlying all living organisms is the need to understand their hierarchical organizations and physical changes with the necessary spatial and temporal resolutions under physiological or pathological conditions. This is a multi-scale challenge requiring imaging from sub-nanometers to micrometers in a cellular context. While individual imaging techniques are available, there is a critical need to integrate them into a workflow capability. Our objective is to develop an integrated multi-disciplinary and multi-scale bioimaging capability at Brookhaven National Laboratory (BNL). The capability expands BNL’s existing facility operation program in bioimaging and positions BNL in a leadership position in bioimaging research. The capability also addresses the grand challenges of the Department of Energy (DOE) science programs for national bioenergy sustainability and security.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2025

Postdoctoral insights on mentoring excellence: a framework for best practices at Sandia National labs

The Sandia National Laboratories Strategic Plan FY24-FY27, updated for FY25, outlines Sandia’s two Big Labs-wide Goals, Accelerate Innovation and Lead in Modern Engineering. The goal of Accelerate Innovation is that “by FY27, Sandia will be a leader in scientific, engineering and operational innovation and an employer of choice for highly innovative and creative talent.” Sandia’s postdocs are leaders in innovation, well-versed in emerging techniques and cutting-edge methods, and capable of acting as a highly agile technical force across domains at the lab. As a federally funded research and development center (FFRDC), Sandia National Laboratories attracts top doctoral talent by offering a unique opportunity for postdoctoral researchers to develop at the crossroads of government, academia, and industry, working in multi-disciplinary teams and performing cutting-edge, mission-specific research that responds to immediate needs of national interest. However, this creates unique opportunities and demands of both postdoctoral appointees and the Sandia staff who act as their mentors, making mentorship key to attract talent. Since 2007 the Sandia Postdoctoral Development (SPD) Board, originally Postdoc To Professional (PD2P), a networking group at Sandia composed of a voluntary board of current postdocs and two staff liaisons, has advocated for postdoctoral development within Sandia National Labs. In this white paper, SPD board members and the Sandia Postdoctoral Development Office, organized in 2019, have come together to develop a comprehensive overview of the postdoctoral mentoring landscape at Sandia National Labs as we currently know it. By scouring various forms of data from efforts since 2018, we’ve compiled a community-derived perspective on what makes postdoctoral mentorship at Sandia unique. First, we analyze working sessions held between mentors and mentees to develop a comprehensive map of who is involved in postdoctoral mentorship at the lab and how the responsibilities are divided amongst mentors and mentees. We then combine multiple forms of data, including exit surveys, annual surveys, and community workshops, to identify the specific challenges that mentors and mentees encounter at the national lab. Finally, we use text mining and sentiment analysis to analyze mentoring award data to develop an idea of what postdocs are self-identifying as excellent mentorship within the lab. It is our goal that this white paper act as an ongoing resource to the postdoc and postdoc mentoring communities and provide a firm foundation for further conversations on the future of postdoctoral mentorship at Sandia National Labs.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2026

Functional characterization of glycosyltransferases in duckweed to enable predictive biology

Glycosyltransferases (GTs) catalyze the formation of glycosidic linkages to produce almost all complex carbohydrates. This project used a multi-disciplinary, high-throughput (HTP) biochemical and computational biology approach focused on duckweed as a model energy crop, to study carbohydrate metabolic processes. To achieve this, developed and carried out out high-throughput (HTP) functional characterization of plant glycosyltransferases (GTs) role of enzymatic microenvironments be assessed through a combined proteomic and computational biology approach, and the combined data was used to populate deep-learning frameworks to predict plant GT function. Functional validation achieved through this research is being used to assign gene function and study plant processes at the systems level to efficiently link the genome sequence with gene function. Together, the combined approaches used within this study provide a foundation for how computational prediction, in combination with high-throughput functional validation, can be used to study plant processes at the systems level and translate knowledge gained to efficiently link genome sequence with gene function in a species agnostic manner.

09 BIOMASS FUELS↗