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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Full-Scale Development and Piloting of a Hybrid Digital Twin for Wastewater Operations Optimization

This full-scale pilot of a machine learning based nutrient controller/digital twin is being done as part of The Water Research Foundation (WRF) project 5121: Development of Innovative Predictive Control Strategies for Nutrient Removal. The overall goal of this project is to develop and full-scale test a hybrid (machine learning + mechanistic model) nutrient management controller at four different water resource recovery facilities (WRRFs). The controller demonstrates both short-term optimization functions and predictive capabilities. This project includes the design of the controller, its performance at the WRRFs, and a description of the future improvements.

Johnson, Bruce↗
DOE OSTI2025

Hybrid Powered Command Trailers Cost-Benefit Analysis Tool: User Guide and Examples

U.S. Forest Service (USFS) wildfire base camps use portable power for electrical needs, including yurts and trailers from which logistics staff work during the incident. These yurts and trailers are conventionally powered by portable diesel generators. Hybrid portable power systems consisting of a combination of solar photovoltaics (PV), battery energy storage systems (BESS), and/or backup diesel generators have been used in recent years and were piloted by the National Technology and Development Program (NTDP) on incidents in fall 2024 as part of NTDP's Portable Power Project. As part of that project, this work included the development of two Excel-based tools and two reports explaining the tools. The first tool, the Incident Energy Systems Model, is an Excel-based tool that models the power output of hybrid portable power systems powering yurts and/or trailers at fire camps over a typical day. The associated report (published separately) outlines a user guide for the model and walks through two scenarios. The two scenarios are 1) trailers powered by rooftop solar PV, batteries, and a back-up diesel generator, and 2) trailers powered by ground mount solar PV, batteries, and a back-up diesel generator. The second tool is a high-level cost-benefit analysis of the same two types of portable power systems, and is location independent.

14 SOLAR ENERGY↗
DOE OSTI2025

Summary of Pilot Project State Technical Assistance on Multi-Sector Analysis for Electric and Petroleum Fuels

The Oregon Energy Security Plan, (ODOE 2024) published in September 2024, builds a strong case for the state to give acute attention to the fuel supply chain. In December 2024, Pacific Northwest National Laboratory (PNNL) in partnership with Oregon Department of Energy (ODOE), announced a pilot project to conduct an analysis that synthesizes current and projected transportation fuel dynamics, supply chain risks, and risk comparators with relevant sectors, such as transportation electrification, sponsored by the Department of Energy’s (DOE) Office of Cybersecurity, Energy Security, and Emergency Response (CESER). The study, is intended to leverage existing modeling and frameworks from a recent 2024 sector coupling analysis supported by the DOEs Office of Electricity (OE) (B. Mitra, S. Pal, et al., Coupling of the Electricity and Transportation Sectors - Part I: Sector Overviews 2024) (B. Mitra, S. Pal and J. Reeve, et al. 2024). While the PNNL team set out to conduct a quantitative risk analysis driven by detailed data that synthesizes current and projected transportation fuel dynamics, supply chain risks, and risk comparators with relevant sectors. The intention was to provide an approach that could be extendable to other parts of the country. They encountered data limitations and adjusted their approach accordingly. This report summarizes PNNL's original plan for executing the study, including limitations for obtaining data requirements for fuel flows and interim products, as well as a risk matrix that can be used to identify supply chain risks.

02 PETROLEUM↗
DOE OSTI2020

Performance assessment of long-legged tightly-baffled divertor geometries in the ARC reactor concept

Extremely intense power exhaust channels are projected for tokamak-based fusion power reactors; a means to handle them remains to be demonstrated. Advanced divertor configurations have been proposed as potential solutions. Recent modelling of tightly baffled, long-legged divertor geometries for the divertor test tokamak concept, ADX, has shown that these concepts may access passively stable, fully detached regimes over a broad range of parameters. The question remains as to how such divertors may perform in a reactor setting. To explore this, numerical simulations are performed with UEDGE for the long-legged divertor geometry proposed for the ARC pilot plant conceptual design - a device with projected heat flux power width (λq||) of 0.4 mm and power exhaust of 93 MW - first for a simplified Super-X divertor configuration (SXD) and then for the actual X-point target divertor (XPTD) being proposed. It is found that the SXD, combined with 0.5% fixed-fraction neon impurity concentration, can produce passively stable, detached divertor regimes for power exhausts in the range of 80-108 MW - fully accommodating ARC's power exhaust. The XPTD configuration is found to reduce the strike-point temperature by a factor of ~10 compared to the SXD for small separations (~1.4λq||) between main and divertor X-point magnetic flux surfaces. Even greater potential reductions are identified for reducing separations to ~1λq|| or less. The power handling response is found to be insensitive to the level of cross-field convective or diffusive transport assumed in the divertor leg. By raising the separatrix density by a factor of 1.5, stable fully detached divertor solutions are obtained that fully accommodate the ARC exhaust power without impurity seeding. To our knowledge, this is the first time an impurity-free divertor power handling scenario has been obtained in edge modelling for a tokamak fusion power reactor with λq|| of 0.4 mm.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

DECOVALEX-2023: Task E Final Report

This is the Task E final report for DECOVALEX-2023. Task E is focused on understanding thermal, two-phase hydrological, and mechanical (TH2M) processes, especially related to predicting brine migration in the excavation damaged zone around a heated excavation in salt. Salt is attractive as a disposal medium for radioactive waste because it is self-healing and is essentially impermeable and essentially non-porous in the far field (away from excavations). Investigation of the short-term (days to years) near-field (centimeters to tens of meters) behavior of salt is important for radioactive waste disposal because this early period strongly controls the amount of brine in a salt repository. Brine leads to corrosion of waste forms and waste packages, and possible dissolution of radionuclides with brine transport being a potential transport vector to the accessible environment. The main test case used in Task E is the ongoing Brine Availability Test in Salt (BATS) heater test located underground at the Waste Isolation Pilot Plant (WIPP) near Carlsbad, New Mexico, USA. The Task was divided into a series of Steps. Step 0 was an introduction to processes in salt, that included matching historical unheated brine inflow data from boreholes at WIPP and matching temperature observations during BATS heater test 1a. Step 1 included validation of models against a thermo-poroelastic analytical solution relevant to heated boreholes in salt, and two-phase flow around an excavation in salt. Step 2 required all the individual components covered in steps 0 and 1 to come together to match observed brine inflow behavior during the BATS 1a heater test. There were a range of approaches from the teams, from mechanistic to prescriptive. Given the uncertainties in the problem, some teams used one- or two-dimensional models of the processes, while other teams included more geometrical complexity in three-dimensional models. The key learning points from Task E have been: • Heat conduction through salt typically requires non-linear thermal conductivity (as a function of temperature), but most models do a good job matching observations, given appropriate adjustments to the applied power and some thermocouple locations. • Thermal pressurization requires coupled thermal-hydrological-mechanical (THM) responses that consider the thermal expansion of the fluid and solid phases. • Initialization of two-phase flow models around a borehole or excavation in salt are more realistically represented as “wetting up”, rather than “drying down” (i.e., the initial state after excavation is mostly dry, rather than mostly wet). • The BATS 1a heater test includes a significant release of brine after the end of heating, which requires a large increase in permeability to recreate. Task E has been a great learning experience for all the teams involved, and feedback from the modeling teams has led to changes in the design of follow-on BATS experiments, which are now ongoing underground at WIPP. There was a balance throughout the task between freedom to model phenomena how each team saw fit, and prescriptiveness in problem design to bring the modeling teams closer together to allow attribution of smaller differences between models to different modeling choices. The modeling approaches seem to go through two phases: an early phase of discovery or testing, and a later phase of refinement and improvement. In future modeling efforts, different field data could be used (e.g., BATS 2) and more time should be included in the processes for teams to make multiple model refinement or even significant changes to their conceptual model or setup, based on lessons learned from the modeling exercise.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Report of the 2025 Workshop on Next-Generation Ecosystems for Scientific Computing: Harnessing Community, Software, and AI for Cross-Disciplinary Team Science

This report summarizes insights from the 2025 Workshop on Next-Generation Ecosystems for Scientific Computing: Harnessing Community, Software, and AI for Cross-Disciplinary Team Science, which convened more than 40 experts from national laboratories, academia, industry, and community organizations to chart a path toward more powerful, sustainable, and collaborative scientific software ecosystems. To address urgent challenges at the intersection of high-performance computing (HPC), AI, and scientific software, participants envisioned agile, robust ecosystems built through socio-technical co-design—the intentional integration of social and technical components as interdependent parts of a unified strategy. This approach combines advances in AI, HPC, and software with new models for cross-disciplinary collaboration, training, and workforce development. Key recommendations include building modular, trustworthy AI-enabled scientific software systems; enabling scientific teams to integrate AI systems into their workflows while preserving human creativity, trust, and scientific rigor; and creating innovative training pipelines that keep pace with rapid technological change. Pilot projects were identified as near-term catalysts, with initial priorities focused on hybrid AI/HPC infrastructure, cross-disciplinary collaboration and pedagogy, responsible AI guidelines, and prototyping of public-private partnerships. This report presents a vision of next-generation ecosystems for scientific computing where AI, software, hardware, and human expertise are interwoven to drive discovery, expand access, strengthen the workforce, and accelerate scientific progress.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Investigation and Analysis of Dolomite Dissolution in Variable Strength Systems Relevant to the WIPP

The Waste Isolation Pilot Plant (WIPP) was opened in 1999 as a solution to the long-term disposal of the nation's nuclear defense-generated transuranic (TRU) waste. The salt beds were recommended as the ideal location because they are free from flowing fresh water, easily mined, impermeable, and geologically stable. However, for performance assessment modeling, release scenarios must be considered. The most likely release scenario was determined to be human intrusion leading to direct and/or long-term brine release (US DOE 1995, US DOE 1996, Perkins et al., 1999). The focus of this research is the Rustler formation because it is located above the WIPP and is the most transmissive layer (Perkins et al., 1999). Objective: To determine the effect of chelating ligands ( e.g. EDTA) on dissolution of dolomite in high ionic strength systems. Do brines impact dolomite dissolution and how is it affected by EDTA binding with cations? By varying the ionic strengths, different brine conditions can be simulated similar to those in and around the Culebra member and evaluate trends of dissolved Ca and Mg in the aqueous phase from the quantified data. Conclusions: <2% of dolomite dissolved over one week at pH 8.5. Greater dissolution occurred at higher ionic strength and in the presence of NaCl with approximately 0.4 vs. 0.9% of Mg removed from dolomite in 0.1 and 1.0 M Na. Further, 0.3 vs. 0.9% of Mg was removed from dolomite in 1.0 M IS CaCl{sub 2} versus NaCl. EDTA increased dissolution of dolomite at low ionic strength due to its strong complexation affinity for Ca/Mg with slightly greater removal of Ca than Mg. Significant differences were not observed at high ionic strength due to the presence of large concentrations of competing cations (Na, Ca, Mg). Slightly higher concentrations of Ca were removed from dolomite than Mg after one week, suggesting either incongruent dissolution or release through ion exchange of Ca from trace mineral impurities. Further, when EDTA was present, it may have increased Ca removal due to its greater complexation for Ca than Mg. Environmental Implications: High ionic strength brines and low ionic strength solutions with organic ligands increase dissolution of dolomite. Due to the long half-lives of radionuclides in the TRU waste, it may be important to consider the long term impact of dolomite dissolution for potential release scenarios.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

GROWdb US River Systems - Samples

GROW Overview We developed the Genome Resolved Open Watersheds database (GROWdb), which aims to increase genomic sampling and understanding of global river microbiomes. An emphasis of GROWdb is to create a publicly available and ever-expanding microbial genome database that is focused on rivers while being interoperable with databases from other ecosystems. GROWdb is based on a network-of-networks approach to move beyond a small collection of well-studied rivers, towards a spatially distributed, global network of systematic observations. GROWdb represents the first microbial, river-focused resource parsed at various scales from genes to MAGs to community level including expression and potential based measurements that will be of interest to microbiologists, ecologists, geochemists, hydrologists, and modelers. Dataset Acknowledgement GROWdb contains data from various research campaigns, please acknowledge the following data generators, as appropriate: WHONDRS derived genomes or samples - include this statement in your acknowledgements: “This study used data from the Worldwide Hydrobiogeochemistry Observation Network for Dynamic River Systems (WHONDRS) under the River Corridor Science Focus Area (SFA) at the Pacific Northwest National Laboratory (PNNL) that was generated at the U.S. Department of Energy (DOE) Joint Genome Institute User Facility. PNNL is operated by Battelle Memorial Institute for the U.S. DOE under Contract No. DE-AC05-76RL01830. The SFA is supported by the U.S. DOE, Office of Biological and Environmental Research (BER), Environmental System Science (ESS) Program.” Total Samples loaded onto this Narrative: 178 Note: Not all GROW samples may be loaded into KBase Data Availability The data underlying GROWdb are accessible across various platforms to ensure all levels of data structure are widely available. First, all reads and MAGs are publicly hosted on National Center for Biotechnology (NCBI) under Bioproject PRJNA946291. Second, all data related data presented here including MAG annotations, extended data tables, phylogenetic tree files, antibiotic resistance gene database files, and MAG abundance tables are available in Zenodo (link). Beyond the flat database files listed above, our aim for GROWdb was to maximize data use by making the data available in searchable and interactive platforms including the National Microbiome Data Collaborative (NMDC) data portal, the Department of Energy’s Systems Biology Knowledgebase (KBase), and a GROW specific user interface released here, GROWdb Explorer. Each platform provides different ways to interact with GROWdb: NMDC GROWdb formed a pilot project for the NMDC. Specifically, individual GROWdb datasets (metagenomes, metatranscriptomes, etc) are easily accessible and searchable through the NMDC data portal, where they are systematically connected to each other and to a rich suite of sample information and standard analysis results, following Findable, Accessible, Interoperable, and Reusable (FAIR) data practices. KBase GROWdb is publicly available within KBase, including samples (this Narrative), MAGs, and corresponding genome scale metabolic models. Access within KBase allows for immediate access and reuse of data, including comparison to private data using KBase’s 500+ analysis tools. Other linked narratives in KBase: GROW Metagenome Assembled Genomes (MAGs) GROW Metabolic Models GROWdb Explorer GROWdb data is also explorable through a graphical user interface built through the Colorado State University Geospatial Centroid (https://geocentroid.shinyapps.io/GROWdatabase/), allowing users to search and graph microbial and spatial data simultaneously. In summary, this microbial genome resource represents the first publicly available genome collection from rivers and offers data that can be leveraged across microbiome studies. GROWdb is an expanding repository to incorporate and unify global river multi-omic data for the future.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Scoping Thermal Response Calculations of RNS Waste During Transport to and Disposal at the WIPP

Sandia National Laboratories (SNL) was contracted by the United States Department of Energy Environmental Management (DOE-EM), Los Alamos Field Office to perform mechanical and thermal scoping calculations as part of a study seeking to understand the ignitability risk of the Remediated Nitrate Salts (RNS) waste drums during transportation from the Waste Control Specialists (WCS) facility to Waste Isolation Pilot Plant (WIPP) and permanent disposal of the waste at WIPP. The scoping thermal simulations described in this report pertain to thermal calculations performed with a packaging system consisting of one Standard Waste Box (SWB) loaded with drums placed inside a Standard Large Box 2 (SLB2). During transportation, the SLB2 is inside Transuranic Package Transporter Model III (TRUPACT-III), which provides the third layer of the packaging. Once at the WIPP, it is assumed the SLB2 is extracted from the TRUPACT-III and maintained above ground, and then subsequently placed underground for permanent disposal. In these proposed configurations, the space between the SLB2 and the SWB is always filled by a layer of insulation consisting of air-filled glass microbubbles except for the bottom which rests directly on the SLB2. The thermal scoping calculations described in this report specifically address whether the introduction of external heat inputs, combined with the contributions from the internally generated radiolytic decay heat and chemical reactions, lead to an unstable thermal state during the time of its movement and placement in the permanent disposal location. The external heat inputs are of two forms: 1) ambient thermal irradiation (e.g., solar and ambient storage/disposal temperatures) and 2) accident-induced fire. Three scoping calculation scenarios were derived as representative, conservative scenarios: 1A) TRUPACT-III transient transportation, 1B) SLB2 48-hour outdoor storage with solar radiation, and 2) fully-engulfing fire during SLB2 handling or emplacement following a steady-state analysis in a 38 °C environment. All the simulated scenarios are conservative relative to the operational conditions expected for handling the waste package during transportation and placement in the WIPP underground disposal unit. The predictions obtained from simulating the three exposure scenarios revealed that adding the SLB2 and the air-filled glass microbubbles to the transport and storage/disposal configurations provides additional thermal protection of the drums beyond what the SWB provides alone, both during long-term above ground insolation and underground during a fire accident. Under the current transportation/storage/disposal concepts, the degree of protection provided by the packaging concept is sufficient to prevent the waste from being ignitable. The simulation results demonstrate that there is adequate margin to safely transport and place the RNS waste from WCS to the WIPP under the current operational concept.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

Computational Fluid Dynamics Simulation of Compressible Non-Newtonian Biomass in a Compression-Screw Feeder

Compression-screw feeders play a critical role in biorefineries to transport lignocellulosic biomass feedstocks from the feeding hoppers to biomass-conversion reactors in order to pretreat and convert biomass to hydrocarbon liquid biofuels and other power and energy resources. One of the main challenges in the operation of screw feeder is plugging and jamming of compressed biomass with high concentration of insoluble solids. The focus of this paper is to numerically investigate the screw feeder at these challenging operating conditions and help with the optimization of the screw feeder design to avoid operation failure. In this work a customized CFD model based on open-source OpenFOAM package [1] was developed to simulate the concentrated biomass as a highly viscous non-Newtonian fluid in the screw feeder. The biomass is modeled as a single-phase compressible Bingham fluid with a plastic viscosity as well as a density-dependent yield stress. The compressibility formulation (pressure-dependent density) and the density-dependent yield stress formulation in the governing equations follow the suggestions from a recent study by Duncan et al. [2]. A pilot-scale hopper/screw feeding system at NREL [3] is used to compare the experimental observations with our simulation results. The auger is 280 mm long and tapered with outer diameter changing from 80 mm to 35 mm. The auger rotates from 10 to 60 rpm in a conical throat which contains anti-rotational bars. The simulations predicted the required torque for the screw feeder and the pressure increase at the exit for biomass feedstocks with various fluid viscosity properties and auger rotating speeds. The analysis of the stress forces helped to identify the critical conditions were the screw feeder excessive wear or jamming could occur.

biofuels↗
DOE OSTI2025

Dynamic Line Rating Models and Their Potential for a Cost‐Effective Transition to Carbon‐Neutral Power Systems

Most transmission system operators (TSOs) currently use seasonally steady-state models considering limiting weather conditions that serve as reference to compute the transmission capacity of overhead power lines. The use of dynamic line rating (DLR) models can avoid the construction of new lines, market splitting, false congestions, and the degradation of lines in a cost-effective way. DLR can also be used in the long run in grid extension and new power capacity planning. In the short run, it should be used to help operate power systems with congested lines. The operation of the power systems is planned to have the market trading into account; thus, it computes transactions hours ahead of real-time operation, using power flow forecasts affected by large errors. In the near future, within a “smart grid” environment, in real-time operation conditions, TSOs should be able to rapidly compute the capacity rating of overhead lines using DLR models and the most reliable weather information, forecasts, and line measurements, avoiding the current steady-state approach that, in many circumstances, assumes ampacities above the thermal limits of the lines. Here, this work presents a review of the line rating methodologies in several European countries and the United States. Furthermore, it presents the results of pilot projects and studies considering the application of DLR in overhead power lines, obtaining significant reductions in the congestion of internal networks and cross-border transmission lines.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2021

Integration of a DER Management System in Riverside. Final report

The tasks in this project covered various aspects, including algorithm development, algorithm integration into a commercial Active Network Management (ANM) platform, hardware-in-the-loop (HIL) testing in an industry-standard testing platform, pilot demonstration in Riverside, California, and also cost and benefit analysis. The DERMS platform in this project can host different algorithms developed on different platforms (e.g., MATLAB and Python) and it can interact with different hardware devices (e.g., different PV inverters, battery inverters, and different sensors). The DER control solution are based on an advanced model-free, layered, and clustered DER control paradigm. At the core of the DER control algorithms was the concept of Extremum Seeking (ES), which is a model-free probing-based control technique. The ES-based control algorithms were tested on major real-world inverters; both individually and in a cluster. It was shown that even legacy equipment (or when paired with a few additional advanced equipment) can support such advanced control. The monitoring algorithms utilize a heterogeneous set of legacy and advanced sensor measurements, such as behind-the-meter DER sensors, distribution-level Phase Measurement Units, distribution-substation Supervisory Control and Data Acquisition (SCADA), and line current sensors, with their limited availability; in order to infer practical network conditions. Sensor data are utilized to achieve resource forecasting, phase identification, and distribution system state estimation. The technology that was developed and demonstrated in this project could be transformational to utilities, including the smaller municipal utilities such as in Riverside, which may not have the resources to deploy advanced distribution system and DERMS solutions in order to support high penetration of solar power integration. This project created a real-world prototype to provide utilities with an assessment of smart grid monitoring and control technologies.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

Cyclic Thermal and Structural Testing of a Hot Particle Storage Bin

Thermal energy storage is a key element in concentrating solar energy systems. In 2017 a Roadmap toward a third-generation system that could meet the SunSHOT goals of 0.06 $/kWe recommended increasing temperatures to > 700° C for heat transfer media to in-crease thermal efficiencies and lower levelized costs of heat. In 2021, the U.S. Department of Energy selected the particle pathway, G3P3, to build a 1 MWt prototype solar tower with 6 MWh thermal energy storage at the NSTTF in Albuquerque, NM. Of the primary components, the falling particle receiver, and particle-to-sCO2 heat exchanger have been demonstrated at the 250 kWt capacity. The storage component is now being demonstrated as part of the G3P3-USA and G3P3-KSA pilot plants. Storage bin liner materials have been demonstrated by KSU in 2016 and 2019. A flowing particle storage container was demonstrated in 2020 by KSU. The testing presented in this work will be the first to test the particle to wall interactions with mono-lithic refractory insulation, and to validate a transient thermal transport model with the unique kinetics of bulk solids in funnel-flow where cooler particles near the walls flow inward toward a hot central flow channel. This work will also de-risk and characterize the specific design of the G3P3-USA storage bin.

Sment, Jeremy↗
DOE OSTI2020

Evaluation of Techniques for Vegetation Removal from UAV-Based Photogrammetric DSM near WIPP Land Withdrawal Act Boundary, NM

The Waste Isolation Pilot Plant is located within New Mexico's karst landscape and is the United States' only deep geologic radioactive waste repository which isolates transuranic waste from defense activities underground in a bedded salt formation. Characteristic karst topography in this region is made up of material (such as limestone) that can be dissolved by water over a long period of time, and includes features such as springs, surface streams, sinking streams, caves, and sinkholes. Karst features can potentially impact the integrity of the waste repository in the future and compromise WIPP's performance, particularly when coupled with incompatible land-use activities within the Land Withdrawal Act (LWA) boundary as well as increased water withdrawals outside the LWA. In order to better capture the ground surface topography to support hydrology modeling efforts, the U.S. DOE has enlisted FIU to develop a high-resolution digital elevation model (DEM). In a previous field study, a high-resolution digital surface model (DSM) of an adjacent representative site, Basin 6, was developed by photogrammetry using aerial images captured with unmanned aerial vehicles. The DSM generated was based on point clouds representing the entire landscapes, including points of terrain, vegetation and infrastructure. These above-ground features need to be removed to create a DSM/DEM with good representation of the bare ground. In recent years, many techniques including both pre- and post-processing of DSMs, were developed for vegetation removal with varied success. This research focuses on applying and comparing various vegetation removal methods using point clouds generated of the Basin 6 pilot study area. The 3D RGB-based point cloud classification using Python scripts was a modification of the procedure by Themistocleous (2019). The method using Liblas classifies the point cloud three-dimensionally, whereas the method by Themistocleous (2019) is two-dimensional. The preliminary result of the method using Liblas, however, still had a large amount of vegetation remaining compared to the Pix4D Machine Learning method. The vegetation layer remains highly visible in the DEMs processed using the vegetation indices as opposed to the Pix4D Machine Learning method, which produces a DEM where mostly bare ground is seen. Further modifications to the input parameters are required to improve the vegetation vs. bare ground classification using this approach. The next step will be to improve the method using Liblas and to also test other vegetation removal methods found in the literature review to compare them against the two described here.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Towards Marine Carbon Dioxide Removal (mCDR) Centers of Excellence

A diverse portfolio of carbon dioxide removal (CDR) technologies will be essential to meeting climate goals while supporting sustainable development. In particular, marine carbon dioxide removal (mCDR) methods can help diversify the existing portfolio, which currently relies heavily on engineered direct air capture systems for large-scale atmospheric removals. To fulfill their potential in the CDR ecosystem, these early-stage mCDR technologies require additional research and development. Here, we propose regional mCDR Technology Centers of Excellence that will provide inventors and developers with access to right-scale facilities and engineering expertise that will meet their needs wherever they are on the journey from bench- to pilot-scale development. To support innovation across the technological readiness level spectrum, these Centers will provide collaborative access to ocean-based mCDR testing sites; other opportunities for partnering with multidisciplinary experts in technology development and commercialization; provide meaningful pathways for integrated engagement with local industrial and regulatory systems; and help in developing tailored, impactful community benefit models. Ideal sites are co-located in areas with a favorable natural environment for testing mCDR, well studied baselines, accessible infrastructure for multidisciplinary marine research, and technology commercialization support. As a case study, we offer the Pacific Northwest as particularly suitable for a regional mCDR Technology Center of Excellence given existing and potential growth of all the characteristics of ideal sites listed above, and which could especially benefit from the region’s growing marine climate technology sector. Last, we offer a brief whole-of-government perspective for supporting and regulating these Centers of Excellence, including identification of mCDR Science Centers of Excellence to ensure that the development of mCDR technologies dovetails with much-needed advancements in oceanographic observation and simulation infrastructure.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Autonomous alloy composition optimization using molecular dynamics guided by a large language model

Here, we present an autonomous materials discovery framework that couples a large language model (LLM) with molecular dynamics (MD) simulations to optimize Fe–Cr–Mn alloy compositions for tensile strength. Starting from six distinct compositions, the LLM operated as an intelligent agent, iteratively proposing changes based on prior simulation results and constraints. Over 50 iterations per case, the LLM adaptively explored the composition space, identifying high-strength regions, not easily accessible by conventional methods. The highest strength, 18.7 GPa, was achieved with Fe 71 Cr 25 Mn 4 composition, identified from a Fe 75 Cr 20 Mn 5 starting point. The LLM autonomously adjusted its strategy in real time, demonstrating closed-loop decision-making using commodity hardware. This approach showcases the potential of LLMs as scientific co-pilots, capable of accelerating materials discovery and generalizable to other domains like biology and drug design.

Autonomy↗
DOE OSTI2021

Explore the Potential to Formulate Feedstock Blends from Diverse Biomass inputs for Improved Processing Performance at Lower Costs

This work aims to understand the pelleting characteristics of 2-inch top-pine residue blended with switchgrass at high moisture content. The process variables tested are blend moisture content, length-to-diameter (L/D) ratio in the pellet die, and the blend ratio. A flat-die pellet mill was also used in this study. The pine and switchgrass blend ratios that were tested include (1) 25% 2-inch top pine residue with 75% switchgrass; (2) 50% 2-inch top pine residue with 50% switchgrass; and (3) 75% 2-inch top pine residue with 25% switchgrass. The pelleting process conditions tested included the L/D ratio in the pellet die (i.e., 1.5 to 2.6) and the blend moisture content (20 to 30%, w.b.). Analysis of experimental data indicated that blending 25% switchgrass with 75% 2-inch top pine residue and 50% switchgrass with 50% 2-inch top pine residue resulted in pellets with a bulk density of >550 kg/m3 and durability of >95. Optimization of the response surface models developed for process conditions in terms of product properties indicated that a higher L/D ratio of 2.6 and a lower blend-moisture content of 20% (w.b.) maximized bulk density and durability. Higher pine in the blends improved the pellet durability and reduced energy consumption. Tests were also conducted on blends of pine and switchgrass using a pilot scale pellet mill by varying the blend moisture content and compression ratio of the pellet die. Pelleting tests on pure pine and switchgrass and their blends in a pilot scale ring die pellet mill with a throughput of 1 ton/h has indicated pellets with durability >500 kg/m3 and durability in the range of >90 and >95 %. The demonstration of high moisture pelleting of blends of 2- and 6-inch top pine residues and switchgrass blends indicated that good quality pellets with durability >90 % and bulk density of >500 kg/m3 can be produced.

09 BIOMASS FUELS↗