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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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At least 55 records · Page 3

Surrogate modeling and optimization of the leaching process in a rare earth elements recovery plant

Critical minerals (CMs) and Rare Earth Elements (REEs) play a vital role in crucial infrastructure technologies such as renewable energy generation and batteries. Recovering them from waste materials has recently been found to significantly reduce environmental impact and supply chain costs related to these materials. In this work, we investigate surrogate modeling techniques aimed to simplify the modeling, simulation, and optimization of the leaching processes involved in CM and REE recovery flowsheets. As there is currently a lack of systematic studies on this topic, we perform extensive computational testing to ascertain which surrogate models are easier to construct and offer high predictive accuracy. Further, our results suggest that sparse quadratic models balance predictive accuracy and computational efficiency. Training and using these surrogates for global optimization of the leaching process requires two orders of magnitude fewer measurements and is up to four orders of magnitude faster than optimizing the original simulation using equation-oriented optimization or derivative-free optimization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Runaway electron-induced plasma facing component damagein tokamaks

This Roadmap article addresses the critical and multifaceted challenge of plasma facing component (PFC) damage caused by runaway electrons (REs) in tokamaks, a phenomenon that poses a significant threat to the viability and longevity of future fusion reactors such as ITER and DEMO. The dramatically increased RE production expected in future high-current tokamaks makes it very difficult to avoid or mitigate REs in such devices when a plasma discharge terminates abnormally. Preventing damage from the intense localised heat loads they can cause requires a holistic approach that considers plasma, REs and PFC damage. Despite decades of progress in understanding the physics of REs and the thermomechanical response of PFCs separately, their complex interplay remains poorly understood. This document aims to initiate a coordinated, interdisciplinary approach to bridge this gap by reviewing experimental evidence, advancing diagnostic capabilities, and improving modelling tools across different scales, dimensionalities, and fidelities. Key topics include RE beam formation and transport, damage mechanisms in both brittle and metallic PFCs, and observed effects in major facilities such as JET, DIII-D, WEST and EAST. The Roadmap emphasises the urgency of predictive, high-fidelity modelling validated against well-diagnosed controlled experiments, particularly in the light of recent changes in ITER’s wall material strategy and the growing importance of private sector fusion initiatives. Each section of the Roadmap article is written to provide a concise overview of one area of this multidisciplinary subject, with an assessment of the status, a look at current and future challenges, and a brief summary. The ultimate goal of this initiative is to guide future mitigation strategies and design resilient components that can withstand the intense localised loads imposed by REs, thus ensuring the safe and sustainable operation of the next generation of fusion power plants.

Ratynskaia, Svetlana [KTH Royal Inst. of Technolog↗

CMIP7 data request: Earth system priorities and opportunities

This paper presents a comprehensive overview of the Coupled Model Intercomparison Project Phase 7 (CMIP7) request for data pertaining to Earth systems science, and provides justification for the resources needed to produce this data. Topics within the CMIP7 Earth System (CMIP7-ES) theme centre around tracking of flows of energy, carbon, water and other fluxes across domains, and constraining feedbacks between these cycles and the climate system. These topics are summarized in this paper as scientific “opportunities” describing specific model intercomparison experiments and use cases for next-generation Earth System Model (ESM) output. These opportunities were submitted by modelling groups and scientific consortia following an extended public consultation process. Contained within each opportunity are requests for groups of Climate & Forecasting (CF) variables, which are bundled into variable groups representing all data required to address the opportunities' needs. Novel opportunities in CMIP7 compared with previous phases will include running `emissions-driven' simulations that integrate carbon emissions and removal scenarios with updated representations of the global carbon cycle, expanded variable groups needed to model marine trophic interactions and biogeochemistry, and data needed to understand the risk of global tipping points, among others. The production of these variables will close key gaps and uncertainties identified during previous rounds of CMIP, and support the 7th Intergovernmental Panel on Climate Change Assessment Report (AR7). We argue that CMIP7-ES data will be broadly used by scientific, policy, governmental, industry, and other communities that rely on climate model projections for research and decision making. As an author group we also reflect on the evolution of the CMIP7-ES data request as a part of a deliberative process in support of the global CMIP program.

54 ENVIRONMENTAL SCIENCES↗

Second-generation downscaled earth system model data using generative machine learning

The second-generation Sup3rCC dataset provides high-resolution meteorological data generated through the downscaling of multiple earth system models (ESMs) from the Coupled Model Intercomparison Project Phase 6 (CMIP6). This downscaling is performed through application of a generative machine learning approach called Super-Resolution for Renewable Resource Data (sup3r). This dataset builds on the first-generation Sup3rCC data by applying improved bias correction methods and adding downscaled precipitation to the output variables. As with the first Sup3rCC version, the data still include temperature, wind speed and direction at multiple heights, pressure, three components of downwelling solar radiation, and relative humidity—all at 4-kilometer (km) hourly resolution over the contiguous United States. This is a 25x spatial enhancement and 24x temporal enhancement of the source 100-km daily-average ESM data. This extension of the Sup3rCC dataset includes data from six ESMs from two shared socioeconomic pathways (SSPs) totaling 400 years of data with multiple future projections of changing meteorological conditions. The scenario selection was based on a structured evaluation of historical ESM skill and comprehensive representation of possible trajectories of future climate change in temperature, humidity, precipitation, solar irradiance, and near-surface wind speeds. The inclusion of multiple future projections is intended to enable users to assess key drivers of un 36 certainty and variability. All data are double-bias corrected, resulting in a product that can be used out-of-the-box for energy system analysis with minimal historical bias. The potential applications of Sup3rCC data extend to various topics in renewable energy resource assessment, energy systems modeling, and grid resilience studies. High-resolution future meteorological projections are critical for evaluating the effects of changing meteorological conditions on renewable energy generation, energy demand, and for optimizing energy storage and grid infrastructure. The 4-km hourly resolution of the downscaled data enables understanding of spatial and temporal variability at the scales necessary for energy system operational planning. In addition, the dataset can support risk assessments by providing detailed information on possible future extreme weather events and long-term meteorological variability at scales relevant to energy infrastructure. By offering an enhanced representation of possible future meteorological conditions, the second-generation Sup3rCC dataset enables more precise modeling of energy resilience and adaptation strategies in response to changing meteorological conditions.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Computer vision models enable mixed linear modeling to predict arbuscular mycorrhizal fungal colonization using fungal morphology

Abstract The presence of Arbuscular Mycorrhizal Fungi (AMF) in vascular land plant roots is one of the most ancient of symbioses supporting nitrogen and phosphorus exchange for photosynthetically derived carbon. Here we provide a multi-scale modeling approach to predict AMF colonization of a worldwide crop from a Recombinant Inbred Line (RIL) population derived from Sorghum bicolor and S. propinquum . The high-throughput phenotyping methods of fungal structures here rely on a Mask Region-based Convolutional Neural Network (Mask R-CNN) in computer vision for pixel-wise fungal structure segmentations and mixed linear models to explore the relations of AMF colonization, root niche, and fungal structure allocation. Models proposed capture over 95% of the variation in AMF colonization as a function of root niche and relative abundance of fungal structures in each plant. Arbuscule allocation is a significant predictor of AMF colonization among sibling plants. Arbuscules and extraradical hyphae implicated in nutrient exchange predict highest AMF colonization in the top root section. Our work demonstrates that deep learning can be used by the community for the high-throughput phenotyping of AMF in plant roots. Mixed linear modeling provides a framework for testing hypotheses about AMF colonization phenotypes as a function of root niche and fungal structure allocations.

59 BASIC BIOLOGICAL SCIENCES↗

CAMAS 2025: Continuing to Advance Arctic Marine Science

The Consortium for the Advancement of Marine Arctic Science (CAMAS) held its second annual Workshop and Early-Career School in Seattle, WA, on April 15-18, 2025. The workshop attracted 74 participants, including a dozen scientists from Europe (8) and Asia (4). The goal of CAMAS is to facilitate and enhance international collaboration on marine Arctic science, in order to advance the understanding and model representation of key marine Arctic processes that contribute to the rapid changes in the Arctic Earth system. These rapid changes have profound impacts on operations in the Arctic, including those associated with the national and energy security of the United States. The Early-Career School started the event on Tuesday April 15. Thirty-three early-career scientists (postdocs and students) gathered for lectures and discussions on topics like high-resolution Arctic Ocean and sea ice modeling; biogeochemistry of the Arctic; Machine Learning for Arctic Earth system modeling; and an Arctic perspective on geo-engineering.

54 ENVIRONMENTAL SCIENCES↗

A stress-based fracture model for reacting metal ejecta

The evolution of reacting metal ejecta continues to be a topic of interest at the forefront of metals in reactive and extreme environments. Ejecta are small particles formed when the surface of a metal undergoes Richtmyer–Meshkov instability from a strong shock. Experiments have shown that in the case where ejecta are in ambient conditions that induce a reaction, the ejecta behave irregularly. The ejecta temperature rises and then plateaus, and the acceleration profile shows unexpected jumps. These variations are assumed to be related to the exothermic heat release and particle mass loss caused by the reaction. To explain this phenomenon, efforts to model this in simulations have increased. While current models can capture many of these physical processes, they currently assign a constant reaction shell thickness with little physical reasoning. This work remedies this problem by assigning a dynamic physically informed shell thickness to the reacting particles, using solid analysis. The shell thickness of the particles impacts the rate of change of reacted mass in the system, as well as the rate at which the particles react. The model is based on a simple stress–strain relationship and gives a dynamic assignment for when the reacting particle should begin to fracture. We compare our model to the previous computational and simulation data to analyze the effects of different model parameters.

42 ENGINEERING↗

Control Oriented Models for Co-Design: Technical Overview of MT HVDC, MVDC, and Solid State Transformer Building Blocks

The electric power system is shifting toward a power electronics–enabled grid, where converter based “building blocks” (e.g., high voltage direct current (HVDC) links, multi terminal HVDC (MT HVDC) networks, medium voltage DC (MVDC) links, and solid state transformers (SSTs)) provide fast, precise control of power flows, voltage, and frequency. This report develops and applies publicly shareable electromagnetic transient (EMT) and phasor models to examine how such building blocks can be composed and coordinated to support offshore wind integration, inter area transfers, feeder support, and resilience. Section 2 documents a modular multilevel converter (MMC)–based MT HVDC modeling framework and two use cases: a compact WSCC/IEEE 9 bus test system and a 240 bus “mini WECC” case with five offshore wind plants (OWFs). Phasor to EMT transfer, initialization, and sanity checks are summarized, and neutral demonstrations of normal and contingency operation are reported. Section 3 frames the problem of wind plant inertial frequency response (IFR): shaping energy release and recovery to improve nadir while avoiding aerodynamic stall; representative simulations illustrate the issues without disclosing proprietary control. Section 4 develops MVDC concepts through an IEEE 16 bus loop and an Olympic Peninsula case study that compares AC vs. MVDC corridors and shows how feeder headroom can be pooled via DC couplers. Section 5 surveys SST architectures and identifies a gap: scalable, communication free coordination of multiple SSTs for islanded feeder networks. Across the report, novel methods and configurations under separate publication and IP review are not disclosed; only topic oriented, replicable setups and non proprietary results are shown. These models and use cases are intended as foundations for future publications and co design studies on architecture, control, and coordination of PE enabled grids.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Post-hoc reweighting of hadron production in the Lund string model

We present a method for reweighting flavor selection in the Lund string fragmentation model. This is the process of calculating and applying event weights enabling fast and exact variation of hadronization parameters on pre-generated event samples. The procedure is post hoc, requiring only a small amount of additional information stored per event, and allowing for efficient estimation of hadronization uncertainties without repeated simulation. Weight expressions are derived from the hadronization algorithm itself, and validated against direct simulation for a wide range of observables and parameter shifts. The hadronization algorithm can be viewed as a hierarchical Markov process with stochastic rejections, a structure common to many complex simulations outside of high-energy physics. This perspective makes the method modular, extensible, and potentially transferable to other domains. We demonstrate the approach in Pythia, including both coverage considerations and timing benefits. For the purpose of this paper, our goal is to develop and demonstrate the the formalism, and we therefore exclude several model variations for baryon production (popcorn model, junction production) needed for proton collisions. These will be the topic of a future paper.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Quantum-Inspired Bayesian Sampling for Uncertainty Quantification and Machine Learning (Final Technical Report)

With increasing simulation and measurement data, machine learning and artificial intelligence have been widely used in computational decision-making of complex engineering systems. The resulting tools, such as uncertainty quantification solvers, reinforcement learning, and physics-informed machine learning, have achieved great success in critical DOE tasks such as material discovery and design, energy system modeling and control, and numerical weather and climate prediction. A core topic in scientific machine learning and artificial intelligence is Bayesian inference: given an observed data set, people want to estimate the posterior distribution of a (possibly large) number of hidden parameters. Due to the flexibility and weak assumptions, Bayesian sampling has been the mainstream Bayesian inference solvers despite the rapid progress of approximate Bayesian inference. Classical Bayesian sampling methods such as Markov-chain Monte Carlo suffer from a low-acceptance rate due to the random walk nature, therefore state-of-the-art techniques use Hamiltonian Monte Carlo and its variants to efficiently draw posterior samples in a high dimension. The key idea of Hamiltonian Monte Carlo and its variants is to simulate the Hamiltonian dynamics of a classical particle with a fixed mass, and their performance significantly degrades when the posterior distribution is highly spiky or has multiple modes. Leveraging the idea of quantum physics, this project has investigated new theory, algorithms and applications of Bayesian inference (especially Bayesian sampling). The main results include: (1) novel quantum-inspired Bayesian sampling methods that can lead to better accuracy for challenging multi-modal or spiky distributions, (2) more scalable machine learning framework leveraging tensor-compressed Bayesian inference, and (3) Bayesian and sampling approaches for verifying the robustness of continuous and binary neural networks.

97 MATHEMATICS AND COMPUTING↗

Light Water Reactor Sustainability Program: Use of Time Distributions to Predict Operator Procedure Performance in Dynamic Human Reliability Analysis

The Human Unimodel for Nuclear Technology to Enhance Reliability (HUNTER) framework affords software capable of conducting human reliability analysis (HRA) using a dynamic approach built around operating procedures (OPs) from nuclear power plants (NPPs). Previous HUNTER reports document the development of this software tool, the coupling of HUNTER to the simulator code, the collection of operator performance data by using simulators to calibrate HUNTER models, and linking HUNTER to probabilistic risk assessment (PRA) software. The present report largely addresses two topics. The first is a new function in HUNTER called the HUNTER Procedure Performance Predictor (P3). HUNTER P3 uses HUNTER’s built in Monte Carlo tools featuring human performance variability to identify potential error traps in procedures. The second topic is time distribution analysis to generate time inputs for dynamic HRA. The current analysis was performed to investigate time distributions for task primitives, which are the minimum task unit of analysis used in dynamic HRA modeling. Using the time distribution data, the elapsed time for human actions in an extended loss of AC power (ELAP) scenario is then investigated. Time data and prediction are essential for modeling procedure performance.

99 GENERAL AND MISCELLANEOUS↗

Pre-metered coating flow models with Goma 7: Workflow Tutorial

Tutorials for modeling of slot-die and slide-die coating flows with Goma 7, an open source finite element code, are presented. The tutorials cover the workflow to attaining steady state solutions for these flows, and continuation strategies for navigating the operating windows. Advanced topics of coating window prediction, automated multiparameter continuation, non-Newtonian rheology, dynamic contact line modeling, and some more solution strategies are also covered.

08 HYDROGEN↗

Security of quantum position-verification limits Hamiltonian simulation via holography

We investigate the link between quantum position-verification (QPV) and holography established in [1] using holographic quantum error correcting codes as toy models. By inserting the “temporal” scaling of the AdS metric by hand via the bulk Hamiltonian interaction strength, we recover a toy model with consistent causality structure. This leads to an interesting implication between two topics in quantum information: if position-based verification is secure against attacks with small entanglement then there are new fundamental lower bounds for resources required for one Hamiltonian to simulate another.

AdS-CFT Correspondence↗

Model Calibration with Markov Chain Monte Carlo Tutorial

The purpose of this tutorial is to demonstrate how to use Markov chain Monte Carlo (MCMC) to calibrate a model. By calibration, we mean the selection of model parameters (and, when relevant, structures). A common goal in model development and diagnostics is calibration, or the identification of model structures and parameters which are consistent with data. While models can be calibrated through hand-tuning parameters or minimizing simple error metrics such as root-mean-square-error (RMSE), these approaches can underrepresent the probabilistic nature of the data-generating process, as well as the potential for multiple model configurations to be consistent with the data. Probabilistic uncertainty quantification, which is the topic of this notebook, can address these concerns. This tutorial is presented as an appendix to the e-book: Addressing Uncertainty in MultiSector Dynamics Research.

Markov chain Monte Carlo↗

Materials Engineering for High Performance and Durability Proton Exchange Membrane Water Electrolyzers

Proton exchange membrane water electrolyzers (PEMWEs) are expected to play a crucial role in the global green energy transition during the 21st century. They provide a versatile and sustainable solution for generating hydrogen with very high purity in combination with renewable energies, such as solar and wind. Despite their promise, PEMWEs face several critical problems, including high costs, performance limitations, and durability challenges, particularly at low iridium (Ir) loading on the anode. Advancing next-generation PEMWEs requires extensive work on materials engineering of all cell components, including the catalyst layer (CL), membrane, porous transport layer (PTL), bipolar plate (BPP), and gasket. This task must be performed with the complementary contribution of different modeling and characterization techniques. This review presents a critical perspective from academia, research centers, and industry, mapping main developments, remaining gaps, and strategic pathways to advance PEMWE technology. A focus is devoted to key aspects, such as operation at low Ir loading, membrane durability, multiscale transport layers, porous and non-porous flow fields, multiphysics modeling, and multipurpose characterization techniques, which are thoroughly discussed. By unifying these topics, this review provides readers with the essential knowledge to grasp current developments and tackle tomorrow's challenges in PEMWE engineering.

36 MATERIALS SCIENCE↗

An Evaluation of The Dynamic Physical Security Risk Assessment Methodology for Fleet-Wide Applications

The requirements for U.S. nuclear power plants to maintain a large onsite physical security force contribute to their high operational costs. The cost of maintaining the current physical security posture is approximately 10% of the overall operation and maintenance budget for commercial nuclear power plants. The goal of the Light Water Reactor Sustainability (LWRS) program’s physical security pathway is to develop tools, methods, and technologies and provide the technical basis for an optimized physical security posture. The conservatisms built into current security postures may be analyzed and minimized to reduce security costs while still ensuring adequate security and operational safety. The research performed at Idaho National Laboratory within LWRS program’s physical security pathway has successfully developed a dynamic force-on-force modeling framework using various computer simulation tools and integrating them with the dynamic assessment Event Modeling Risk Assessment using Linked Diagrams (EMRALD) tool. This integrated process for physical security analysis is named Modeling and Analysis for Safety Security using Dynamic EMRALD Framework (MASS-DEF). This document provides an update on the progress in applying the MASS-DEF process to an operating commercial nuclear power plant as well as additional industry feedback regarding use of the tool for other physical security risk-informed topics. This report is only a summary of the progress and does not contain specific modeling results as those contain sensitive security information. Previous reports described how a user could integrate their plant-specific force-on-force models with the dynamic simulation tool EMRALD, model operator actions, and integrate with probabilistic risk assessment tools, such as CAFTA (Computer Aided Fault Tree Analysis System) or SAPHIRE (Systems Analysis Programs for Hands-on Integrated Reliability Evaluations), and with thermal-hydraulic tools, such as RELAP-5 or MAAP. Previous reports applied various combinations of available simulations codes with EMRALD using generic plant models to demonstrate how to perform the analysis. This report is an update the progress of applying the dynamic computational framework to an actual nuclear facility using their security scenarios and timelines. This report also provides an update to the procedural guidance for the MASS-DEF process and an overview of the generic models available for use by utilities. This report does not contain any plant’s sensitive information and/or safeguards information. This study’s purpose was to verify that the results achieved using generic models are similar to actual plant results and refine our guidance on the use of the framework. This assessment enables further analysis, such as what-if scenarios and staff-reduction evaluation, thereby optimizing physical security at plants.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗