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At least 109 records · Page 6

Application Potential of a Dew-Point Cooling Tower in Selected Energy Intensive Applications in Temperate Climate

In the article, the application potential of the dew-point cooling tower (DPCT) in selected energy-intensive applications in temperate climates was analyzed and discussed. The applications selected for analysis are power generation with natural gas turbines and chilled water air conditioning systems. The study is based on a mathematical model derived from a modified ε-NTU model. The model was validated against experimental results and showed satisfactory agreement with the experimental data. DPCT was compared with a typical cooling tower limited by the wet-bulb temperature (wet-bulb cooling tower, WBCT). The simulation results showed that DPCT is able to provide significant energy savings in energy-intensive applications; therefore, its application potential in temperate climates can be considered justified. In the case of gas turbines, DPCT was able to generate 2 to 10 percentage points more capacity than operating on outdoor air and 1.8 to 5 percentage points more than operating with WBCT. In the case of air conditioning systems, the system equipped with DPCT achieved EERs (energy efficiency ratios) higher by 1 to 7.2 compared to dry cooling and by 0.3 to 5.1 compared to systems equipped with WBCT. The annual energy savings obtained by the system with DPCT were 14.7 MWh compared to WBCT and 30 MWh compared to dry cooling.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI

Data-Driven State of Health Estimation for Second-Life Batteries Using Interpolated Synthetic Data and Feature Selection

Accurate estimation of the State of Health (SOH) for second-life batteries (SLBs) is crucial given their increasing use in energy storage applications. Precise SOH prediction is essential for safe operation and robust battery management systems. A major challenge is the limited availability of datasets for building reliable degradation models. To address this, synthetic data generation through linear interpolation is performed to extend the available data, making it more representative of real-world battery operating conditions. By analyzing feature correlation with SOH, the most relevant features are selected for the model. The proposed approach employs a convolutional neural network (CNN) model trained on this interpolated, feature-selected dataset, using time series data of voltage, temperature, and current over a cycle. By focusing on highly correlated features, the model achieves over 95% accuracy, with mean absolute error and root mean squared error up to 2.27% and 2.64%, respectively, in SOH estimation for two battery datasets tested. These results highlight the potential of combining synthetic data generation and feature selection to enhance SOH predictions, showcasing the superior performance of the proposed CNN model for both new batteries and SLBs.

feature selection

Effect of Anoxic Iron Corrosion on WIPP Brine Geochemistry FY23 Final Report (U)

A 280-day study was completed to evaluate the effect of zero-valent iron (Fe 0 ) on the Waste Isolation Pilot Plant (WIPP) brine geochemistry under anticipated reducing conditions. Hydrogen (H 2 ) gas is expected to be present in the repository after closure due to the anoxic corrosion of a vast quantity of iron contained in the waste forms disposed at WIPP; therefore, a background argon atmosphere containing H 2 was chosen for this study. WIPP groundwater brine pH and E h will impact the mobility and fate of plutonium within the repository. Modeling and laboratory results for Castile WIPP brine indicate that equilibrium fa values relative to the standard hydrogen electrode (SHE) are 40 mV more reducing (i.e., more negative) than those for Salado WIPP brine (-480 mV vs. -440 mV, respectively) because of the higher pH of the Castile brine (pH 9 .3 for Castile vs. pH 8.8 for Salado). The E h and pH data were corrected for the effects of high ionic strength. The experimental results for both brines are consistent with thermodynamic predictions using OLI Systems' Mixed Solvent Electrolyte chemical equilibrium model. The measured and corrected pH and E h data from this study are provided in Table ES-I and Table ES-2, respectively. The experimental study, with four test conditions in triplicate, was performed in a dual glovebox with a nominally 3 vol.% H 2 in argon atmosphere (target H 2 range: 3 ± I vol.%). Simulants containing MgO only ( experimental control) and MgO+Fe 0 (WIPP base case) were prepared for both the Salado and Castile brines. MgO was included in all simulants to account for the use of bulk magnesium oxide in the WIPP repository. Fe 0 was included in some simulants to incorporate the effects of the anoxic corrosion of iron and in-situ hydrogen generation in the study. The brine compositions were developed by Sandia National Laboratory (SNL; Xiong, 2008) and have been used in previous WIPP evaluations. The test method (agitation, etc.) is partially based on ASTM D3987-12. Twelve rounds of periodic measurements of pH and E h were performed over the course of the study. Chemical analysis results for liquids and solids (ICP-MS, ICP-ES, IC Anion, TIC, SEM-EDX) are consistent with the pH, E h , and thermodynamic modeling results. This study included the following conditions that deviate from anticipated post-closure conditions following brine intrusion, but were selected to facilitate bench-scale testing to validate modeling of pH and E h for the post-closure WIP P repository: an anoxic glove box atmosphere containing ≤ 4 vol. % H 2 vs. substantially higher H 2 gas concentrations assumed in the WIPP Performance Assessment (PA); a significantly higher liquid-to-solid test ratio compared to the much lower phase ratio anticipated in the WIP P repository; agitation of the simulant bottles to maximize mass transfer; and finally the use of Fe 0 reagents having a much greater surface area than expected in the WIP P repository. Non-representative conditions were chosen for various reasons such as: to provide bounding conservative results, to provide a margin of safety for testing, or to facilitate simulant sub-sampling and analysis. In a parallel effort, aqueous electrolyte thermodynamic models were developed for the synthetic Salado and Castile brines to inform the experimental design, facilitate laboratory data interpretation, and allow extension of evaluations beyond the parameters tested. Thermodynamic modeling simulations including the MgO and Fe 0 additives that are directly relevant to the experimental measurements (e.g., pH calibration curve, ORP corrections) are included in this report. The measured fa of the simulants was close to the OLI model predictions for both brines and was largely controlled by the background H 2 partial pressure in the vapor phase as well as H 2 generated in situ in the aqueous phase by the Fe 0 corrosion. The H 2 gas-phase concentration tested and thermodynamically evaluated was much lower than is assumed in the WIPP PA; however, H 2 (g) concentrations significantly below this level are still predicted to result in very reducing conditions. In conclusion: • The experimental results are consistent with thermodynamic model predictions for fa, pH, and the effects of high ionic strength. • Evidence to date suggests that the H2 concentration in the glovebox atmosphere ultimately determined the final E h values of the simulants and resulted in highly reducing conditions. As a result, little difference was observed between the control simulants containing only MgO and the WIPP base-case simulants that contained MgO and Fe 0 . • This test methodology is recommended for future studies evaluating WIPP repository conditions. The methodology includes: (1) background H 2 in argon with agitation ( or could alternatively include in-situ-generated H 2 in sealed bottles); (2) carefully measured and corrected ORP data ( with much effort focused on allowing the probes to fully stabilize); and (3) ionic-strength-corrected pH data. Other best practices, such as simulant sparging/handling, ORP probe replacement, etc., should also be considered. • The coupling of experimental studies and thermodynamic modeling is also highly recommended because these methods inform and direct one another leading to greater confidence in and understanding of the results.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W

Initial Assessment of CTF for Time-at-Temperature Applications

The US nuclear industry is interested in improving the economics of their fleet of light-water reactors (LWRs) by uprating US plants. One option being considered is to regain lost margin from overly conservative fuel safety limits. The current limit requires avoidance of critical heat flux (CHF) and prevents further operation of fuel that experiences a dry-out in boiling water reactors (BWRs) or departure from nucleate boiling (DNB) in pressurized water reactors (PWRs); however, it has been shown that temporary, mild dry-out of the fuel does not necessarily increase the risk of fuel failure during its normal anticipated operating life. Such mild dry-out or DNB events may occur during a plant anticipated operational occurrence (AOO), such as a locked rotor in a PWR or a pump trip in a BWR. The time-at-temperature (TAT) approach to regulating fuel operation aims to demonstrate that the fuel rod’s integrity is not challenged during such a mild transient that leads to CHF in which the fuel operates at an elevated temperature for a brief period of time. However, implementing this approach will require extensive fuel material experimental data, as well as supporting modeling and simulation (M&S) predictions, to ensure that the predicted fuel response during AOOs, with all applicable uncertainty considered, will not threaten the safety of the fuel during the transient or the remainder of its anticipated lifecycle. To address this need, a comprehensive effort is being proposed that includes generating cladding material data under TAT conditions, assessment of available code capabilities for TAT conditions, development of new mechanistic models, and demonstration of the M&S capabilities for AOOs of interest. This will require a joint effort between the Nuclear Energy Advanced Modeling and Simulation (NEAMS) and Advanced Fuels Campaign (AFC) programs, as well as close collaboration with nuclear industry stakeholders. The outcome of this collaboration will result in development and assessment of capabilities that can be used by the nuclear industry to support qualification of a TAT-based fuel failure criteria safety limit. This report focuses on the thermal hydraulics (T/H) modeling capabilities and summarizes currently available data for validating the T/H subchannel code CTF for TAT conditions, as well as preliminary assessment results of the code. The initial assessment also resulted in implementation of an alternative post-CHF heat transfer package, which has been shown to significantly improve accuracy. This report is not a final assessment and does not consider all available validation data; it is intended that a future assessment will more fully validate the code for this application.

22 GENERAL STUDIES OF NUCLEAR REACTORS

Wind Power as a Virtual Synchronous Generator (WindVSG)

This project investigated the theory, implemented it in hardware, and validated the Wind as a Virtual Isochronous Generator (WindVSG) concept by combining the advantages of modern dynamic inverter technologies with static, dynamic, and transient electromechanical properties of synchronous machines. During this project we demonstrated how to control the inverters of wind turbine generators (wind alone or in parallel with other GFM sources, such battery energy storage) so that wind power behaves like a synchronous machine-based power plant with a conventional prime mover. For this purpose, testing was conducted at NLR ARIES facility with real 2.5 MW wind-turbine generator operating in GFM mode under dynamic and transient conditions. The team also developed models and conducted simulations for GFM wind power to evaluate stability impacts of GFM operation on power grid. This report describes efforts by the NLR team working in collaboration GE Vernova during 3-year project.

17 WIND ENERGY

Offshore Wind to Hydrogen - Modeling, Analysis, Testing and International Collaboration Work

This project explores electrolytic hydrogen production from an offshore wind turbine by: Modeling: Simulate an offshore wind turbine and generate power output profiles; Analysis: Analyze offshore conditions and determine operational modes of the stack; Testing: Perform hardware testing to evaluate dynamic characteristics; and International Collaboration Work: Share learnings and publish. Potential Outcomes: Accelerate development of an integrated, in-turbine offshore wind hydrogen system; and Support two DOE Energy Earthshots - Hydrogen and Floating Offshore Wind.

electrolyzer

Generative unfolding with distribution mapping

Machine learning enables unbinned, highly-differential cross section measurements. A recent idea uses generative models to morph a starting simulation into the unfolded data. We show how to extend two morphing techniques, Schrödinger Bridges and Direct Diffusion, in order to ensure that the models learn the correct conditional probabilities. This brings distribution mapping (DM) to a similar level of accuracy as the state-of-the-art conditional generative unfolding methods. Numerical results are presented with a standard benchmark dataset of single jet substructure as well as for a new dataset describing a 22-dimensional phase space of Z+2 -jets.

Butter, Anja

An analysis of physics limited dispatch of nuclear renewable integrated energy systems using deep reinforcement learning and dynamic modeling

Previous approaches to dispatching nuclear integrated energy systems (NIES) have focused on the profitability and flexibility of these systems to operate on energy grids with highly variable pricing. However, due to the complexity involved in modeling and designing these systems, there has been less emphasis on ensuring that these dispatch strategies are physically achievable. It is imperative to develop methods that allow the system to remain within the desired NIES operating conditions and perform this based on realistic limited forecasted information. This research employs next generation artificial intelligence, namely deep reinforcement learning (DRL), and a dynamic system model written in Modelica to find a safe and profitable dispatch strategy for a solar nuclear hybrid design. The DRL agent is shown to find a novel dispatch strategy that manages both power ramping and power levels while respecting operational limits. This DRL-based dispatch is compared to other dispatching strategies including an optimal design solution from mixed integer linear programming (MILP). It is found that incorporating the physics of such a tightly coupled NIES limits the profitability of the MILP-based dispatch strategy. As a result, the MILP solution overestimates the design’s generated revenue. In contrast, DRL significantly reduces the number of breaches of safe operational conditions during energy arbitrage while maintaining profitability. Furthermore, this work paves the way for a more detailed assessment of NIES profitability and could be used to aid operator decisions on future NIES projects.

14 - SOLAR ENERGY

Deep-learning-enhanced assessment of wellbore barrier effectiveness in geologic storage systems with intermediate aquifers

For geologic systems where carbon dioxide (CO 2 ) is injected underground, existing wells represent potential pathways for fluid migration. Here, this study introduces a novel deep learning model to quantify the likelihood and potential magnitude of fluid migration through wellbores at sites with intermediate aquifers or thief zones between the injection units and underground drinking water sources. Synthetic datasets, generated using reservoir simulations, captured a wide range of subsurface conditions, well attributes, operational parameters, and fluid migration scenarios. Among the regression models developed to predict brine and CO 2 leakage rates and CO 2 saturations along leaky wellbores, convolutional neural network (CNN) outperformed both Light Gradient Boosting Machine and deep neural network. Additionally, a CNN-based classification model was created to predict whether brine and CO 2 would leak along a wellbore, further improving performance over regression alone. The best models were integrated into the National Risk Assessment Partnership Open-source Integrated Assessment Model for rapid, stochastic assessment of storage system containment and leakage risks. A case study demonstrated the model’s ability to simulate fluid migration through existing wells with multiple intermediate aquifers. This computationally efficient wellbore model offers value in support of site performance evaluation and risk-informed decision making by stakeholders.

CO2 leakage

TEM characterization of two variants of fuel cladding chemical interaction in a HT-9 Clad U-10Zr Fuel. Variant 1: FCCI with a Zr Rind

Here, this study investigated the fuel cladding chemical interaction (FCCI), a key factor that limits operational temperature and burnup, in an HT-9 clad U-10Zr nuclear fuel sample irradiated to a high burnup of 13.1 at.% at a time-averaged peak inner cladding temperature (PICT) of 530 °C. Previous results showed this fuel sample exhibited two distinct levels of FCCI at d. This paper analyzed the FCCI at an azimuthal position showing an interdiffusion layer of <10 µm using transmission electron microscopy to examine chemical and crystallographic nature of phases at the fuel-cladding interface at the nanoscale level. A ZrC layer and a Zr 3 Si phase were identified at the interface; these, along with the relatively low local temperature, potentially contributed to limit interdiffusion, behaving as inhibitors for deleterious interactions. Lanthanides (Ln) partially consumed the ZrC layer and interacted with Fe, forming a Zr-Ln compound and a (Zr,Ce)Fe 2+x phase while also infiltrating up to 4 µm into the cladding. Neither U nor Zr were observed in the cladding, whereas Fe diffused up to 3–5 µm in the fuel. Fe infiltration formed a ternary U-Zr-Fe ε-phase and likely promoted the precipitation of a Cr-rich α’ phase on the cladding interface. Additionally, a Cr-rich χ-phase, likely formed by the dissociation of pre-existing M 23 C 6 carbide precipitates, was identified about 2–5 µm from the fuel-cladding interface. Irradiation-induced nano-voids were also observed in the HT-9 bulk. These findings provide critical insights into FCCI mechanisms at representative irradiation conditions, essential for developing models simulating in-pile metallic fuel behaviors for next-generation reactors.

36 - MATERIALS SCIENCE

Jet cone radius dependence of R AA and v 2 at PbPb 5.02 TeV from JEWEL+T R ENTo+v-USPhydro

We combine, for the first time, event-by-event T R ENTo initial conditions with the relativistic viscous hydrodynamic model v-USPhydro and the Monte Carlo event generator JEWEL to make predictions for the nuclear modification factor R AA and jet azimuthal anisotropies v n { 2 } in $\sqrt{s_{NN}}$ = 5.02 TeV PbPb collisions for multiple centralities and values of the jet cone radius R. The R-dependence of R AA and v 2 { 2 } strongly depends on the presence of recoiling scattering centers. We find a small jet v 3 { 2 } in mid-central collisions and consistent results in wide jet p T regions and centralities with ATLAS data.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS

Elasto-viscoplastic fast Fourier transform modeling framework for assessing microstructural effects on stress intensity factors characterizing fracture toughness

A large-strain elasto-viscoplastic fast Fourier transform (LS-EVPFFT) model with non-periodic (NP) velocity-based boundary conditions is adapted to simulate the sensitivity of stress intensity factors on microstructure for 304L stainless steel. The material was characterized via electron backscattered diffraction (EBSD) serial-sectioning to obtain a measured 3-D microstructural cell to perform simulations. The NP-LS-EVPFFT model, including the simulation setup and boundary conditions, was verified using a crystal plasticity finite element (CPFE) model. To this end, the generation of meshes of notched specimens was developed, which involved creating Python scripts for mesh “cutting” in Abaqus, and Sculpt scripts in Cubit for meshing of the measured microstructural cell processed with DREAM.3D. The complexity of the mesh preparation highlighted the advantages of the FFT-based model, which circumvents the mesh generation process. Given the efficiency of the FFT-based model, statistical distribution of stress intensity factors in function of crystal orientation at the crack tip, grain structure, and crystallographic texture surrounding the crack tip were predicted. Further, the distributions reveal about 10% variation of stress intensity factors with microstructure with the most significant sensitivity found to be the crystal orientation at the crack tip. The methodology developed in this work is discussed as a practical simulation tool for predicting the sensitivity of stress intensity factors on microstructural variability in metallic materials.

36 MATERIALS SCIENCE

Interpretable Deep Learning for Advancing Field-Enhanced Catalysis

This DOE Early Career project developed a physics-informed, interpretable AI-and-modeling framework to understand and exploit electric-field effects in heterogeneous catalysis, with ammonia cracking and synthesis as a representative pathway. The team built and validated methods to map local electric fields on metal surfaces and nanoparticles, showing that low-coordination features (tips/edges/corners) can concentrate fields by several-fold relative to flat facets. Using DFT-generated datasets, the project created physics-guided machine learning models that rapidly predict local electric fields and field-dependent adsorption energetics with near-DFT accuracy while reducing computational cost by orders of magnitude. These predictions were integrated with microkinetic modeling to quantify how field-dipole interactions reshape reaction energetics and mechanisms, enabling large increases in predicted catalytic rates and substantial reductions in operating temperature under favorable field conditions. To accelerate discovery of earth-abundant catalysts, the project combined interpretable ML screening (with electronic-structure descriptors identified as key drivers) with a generative inverse-design workflow based on diffusion models and physics constraints. The resulting closed-loop approach, linking simulation, mechanistic modeling, and AI, provides reusable tools and datasets for designing catalysts and operating conditions in field-enhanced catalysis, with broad relevance to electrostatic catalysis, plasma catalysis, electrocatalysis, and other energy-related chemical transformations.

30 DIRECT ENERGY CONVERSION

Solving high-dimensional inverse problems using amortized likelihood-free inference with noisy and incomplete data

Here, we present a likelihood-free probabilistic inversion method based on normalizing flows for high-dimensional inverse problems. The proposed method is composed of two complementary networks: a summary network for data compression and an inference network for parameter estimation. The summary network encodes raw observations into a fixed-size vector of summary features, while the inference network generates samples of the approximate posterior distribution of the model parameters based on these summary features. The posterior samples are produced in a deep generative fashion by sampling from a latent Gaussian distribution and passing these samples through an invertible transformation. We construct this invertible transformation by sequentially alternating conditional invertible neural network and conditional neural spline flow layers. The summary and inference networks are trained simultaneously. We apply the proposed method to an inversion problem in groundwater hydrology to estimate the posterior distribution of the log-conductivity field conditioned on spatially sparse time-series observations of the system’s hydraulic head responses. The conductivity field is represented with 706 degrees of freedom in the considered problem. Comparison with the likelihood-based iterative ensemble smoother PEST-IES method demonstrates that the proposed method accurately estimates the parameter posterior distribution and the observations’ predictive posterior distribution at a fraction of the inference time of PEST-IES.

conditional invertible neural network

Surrogates for Valve-Controlled Pipe Flow: Accelerating Nuclear Reactor Design

Neural surrogate models are developed to replace expensive steady-state RANS CFD simulations for valve-controlled pipe flow in nuclear reactor design. Using parametric CFD data generated with MOOSE Pronghorn across a range of valve geometry and flow conditions, three approaches are compared: a POD-based reduced-order model, a structured UNet on a cylindrical grid, and unstructured models (DeepONet and BiStride MeshGraphNet) on nondimensionalized point clouds. POD achieves the highest accuracy (99%) with fast inference but requires storing all solution snapshots, while the DeepONet and BSMS-GNN both achieve ~89% accuracy at sub-second inference, with the BSMS-GNN offering superior geometric generalizability. These surrogates enable rapid ranking of candidate valve designs and can warm-start CFD solvers to accelerate convergence, supporting agentic design iteration on the Prometheus platform.

42 - ENGINEERING

Land Processes Can Substantially Impact the Mean Climate State

Terrestrial processes influence the atmosphere by controlling land-to-atmosphere fluxes of energy, water, and carbon. Prior research has demonstrated that parameter uncertainty drives uncertainty in land surface fluxes. However, the influence of land process uncertainty on the climate system remains underexplored. Here, we quantify how assumptions about land processes impact climate using a perturbed parameter ensemble for 18 land parameters in the Community Earth System Model version 2 under preindustrial conditions. We find that an observationally-informed range of land parameters generate biogeophysical feedbacks that significantly influence the mean climate state, largely by modifying evapotranspiration. Global mean land surface temperature ranges by 2.2°C across our ensemble (σ = 0.5°C) and precipitation changes were significant and spatially variable. Our analysis demonstrates that the impacts of land parameter uncertainty on surface fluxes propagate to the entire Earth system, and provides insights into where and how land process uncertainty influences climate.

54 ENVIRONMENTAL SCIENCES

Tokamak divertor plasma emulation with machine learning

Abstract Future tokamak devices that aim to create conditions relevant to power plant operations must consider strategies for mitigating damage to plasma facing components in the divertor. One of the goals of MAST-U tokamak operations is to inform these considerations by researching advanced divertor configurations that aid stable plasma detachment. Machine design, scenario planning and detachment control would all greatly benefit from tools that enable rapid calculation of scenario-relevant quantities given some input parameters. This paper presents a method for generating large, simulated scrape-off layer data sets, which was applied to generate a data set of steady-state Hermes-3 simulations of the MAST-U tokamak. A machine learning model was constructed using a Bayesian approach to hyperparameter optimisation to predict diagnosable output quantities given control-relevant input features. The resulting best-performing model, which is based on a feedforward neural network, achieves high accuracy when predicting electron temperature at the divertor target and carbon impurity radiation front position and runs in around 1 ms in inference mode. Techniques for interpreting the predictions made by the model were applied, and a high-resolution parameter scan of upstream conditions was performed to demonstrate the utility of rapidly generating accurate predictions using the emulator. This work represents a step forward in the design of machine learning-driven emulators of tokamak exhaust simulation codes in operational modes relevant to divertor detachment control and plasma scenario design.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY

Hierarchical Conditioning of Diffusion Models Using Tree-of-Life for Studying Species Evolution

A central problem in biology is to understand how organisms evolve and adapt to their environment by acquiring variations in the observable characteristics or traits of species across the tree of life. With the growing availability of large-scale image repositories in biology and recent advances in generative modeling, there is an opportunity to accelerate the discovery of evolutionary traits automatically from images. Toward this goal, we introduce Phylo-Diffusion, a novel framework for conditioning diffusion models with phylogenetic knowledge represented in the form of HIERarchical Embeddings (HIER-Embeds). We also propose two new experiments for perturbing the embedding space of Phylo-Diffusion: trait masking and trait swapping, inspired by counterpart experiments of gene knockout and gene editing/swapping. Our work represents a novel methodological advance in generative modeling to structure the embedding space of diffusion models using tree-based knowledge. Our work also opens a new chapter of research in evolutionary biology by using generative models to visualize evolutionary changes directly from images. We empirically demonstrate the usefulness of Phylo-Diffusion in capturing meaningful trait variations for fishes and birds, revealing novel insights about the biological mechanisms of their evolution. (Model and code can be found at imageomics.github.io/phylo-diffusion)

Khurana, Mridul