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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 523 records · Page 29
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DOE OSTI2025

Dominant balance-based adaptive mesh refinement for incompressible fluid flows

This work introduces a novel adaptive mesh refinement (AMR) method that utilizes dominant balance analysis (DBA) for efficient and accurate grid adaptation in computational fluid dynamics (CFD) simulations. The proposed method leverages a Gaussian mixture model (GMM) to classify grid cells into active and passive regions based on the dominant physical interactions within the equation space. By modeling truncation error probabilistically from discretized terms, the method identifies regions of high interaction where numerical accuracy is most sensitive to resolution. Unlike traditional AMR strategies, this approach does not rely on heuristic-based sensors or user-defined thresholds, providing a fully automated and problem-independent framework for AMR. Applied to the incompressible Navier-Stokes equations for steady and unsteady flow past a cylinder, the DBA-based AMR method achieves comparable accuracy to high-resolution grids while reducing computational costs by up to 70 %. The validation highlights the method’s effectiveness in capturing complex flow features while minimizing grid cells, directing computational resources toward regions with the most critical dynamics. This modular and scalable strategy is adaptable to a wide range of applications, presenting a promising tool for efficient high-fidelity simulations in CFD and other multiphysics domains.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Improving Limit Surface Search Algorithms in RAVEN Using Acceleration Schemes: Level II Milestone

The RAVEN code is becoming a comprehensive tool to perform Probabilistic Risk Assessment (PRA); Uncertainty Quantification (UQ) and Propagation; and Verification and Validation (V&V). The RAVEN code is being developed to support the Risk-Informed Safety Margin Characterization (RISMC) pathway by developing an advanced set of methodologies and algorithms for use in advanced risk analysis. The RISMC approach uses system simulator codes applied to stochastic analysis tools. The fundamental idea behind this coupling approach to perturb (by employing sampling strategies) timing and sequencing of events, internal parameters of the system codes (i.e., uncertain parameters of the physics model) and initial conditions to estimate values ranges and associated probabilities of figures of merit of interest for engineering and safety (e.g. core damage probability, etc.). This approach applied to complex systems such as nuclear power plants requires performing a series of computationally expensive simulation runs. The large computational burden is caused by the large set of (uncertain) parameters characterizing those systems. Consequently, exploring the uncertain/parametric domain, with a good level of confidence, is generally not affordable, considering the limited computational resources that are currently available. In addition, the recent tendency to develop newer tools, characterized by higher accuracy and larger computational resources (if compared with the presently used legacy codes, that have been developed decades ago), has made this issue even more compelling. In order to overcome to these limitations, the strategy for the exploration of the uncertain/parametric space needs to use at best the computational resources focusing the computational effort in those regions of the uncertain/parametric space that are “interesting” (e.g., risk-significant regions of the input space) with respect the targeted Figures Of Merit (FOM): for example, the failure of the system, subject of the analysis. These methodologies are named, in the RAVEN environment, adaptive sampling strategies. These methodologies infer system responses from surrogate models constructed from already existing samples (produced using high fidelity simulations) and suggest the most relevant location (coordinate in the input space) of the next sampling point to be explored in the uncertain/parametric domain. When using those methodologies, it is possible to understand features of the system response with a small number of carefully selected samples. This report focuses on the development and improvement of the limit surface search. The limit surface is an important concept in system reliability analysis. Without going into the details, which will be covered later in the report, the limit surface could be briefly described as an hyper-surface in the system uncertainty/parametric space separating the regions leading to a prescribed system outcome. For example, if the uncertainty/parametric space is the one generated by the reactor power level and the duration of the batteries, the system is a nuclear power plant and the system outcome discriminating variable is the clad failure in a station blackout scenario, then the limit surface separates the combinations of reactor power level and battery duration that lead to clad failure from the ones that do not.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2022

Artificial Intelligence/Machine Learning Technologies for Advanced Reactors (Workshop Summary Report)

A workshop on artificial intelligence and machine learning (AI/ML) for advanced reactors (AR) was held October 5-6, 2021. The workshop was to be attended in-person at ANL but COVID restrictions forced the workshop to go virtual. The objectives of the workshop were to identify the most promising AI/ML opportunities for improving advanced reactor design, optimizing plant performance, and enhancing economic competitiveness and to develop an understanding of the scientific, engineering and licensing challenges facing their application. The workshop planning committee included GAIN, EPRI and NEI and members of three national laboratories (ANL, INL, and ORNL). The workshop was attended by more than 200 individuals representing academic and scientific institutions and the nuclear power industry. The definition put forth for an AI/ML system was one that perceives its environment and takes actions that maximize its chance of achieving its goals. In this report AI/ML refers to next generation algorithms that include deep learning, statistical analysis and data analytics and associated scientific computing and their potential application to the design, licensing, operation and maintenance of ARs. These methods typically incorporate models built from process data and may also include data generated by simulations that represent the behavior of a system. The workshop was organized in response to the growing interest in application of AI/ML for improving the economic competitiveness of nuclear energy. Increasingly more resources are being allocated to investigating the benefits of AI/ML methods. The DOE created the Artificial Intelligence & Technology Office to promote their development. And within the Office of Nuclear Energy, resources have been allocated to explore and understand the potential benefits of AI/ML. Additionally, the national laboratories are strategically positioned with DOE computing facilities such as Summit, Perlmutter, Aurora and Frontier that support large-scale simulations, hybrid HPC models with AI surrogates, and the exploration of new types of generative models emerging from multi-model data streams and sources. The workshop was organized with members of the AR community to understand the effort and to identify the level of interest and progress in this emerging technology. The workshop discussions focused on identifying opportunities for AI/ML across diverse areas of the nuclear industry and identifying current scientific and engineering challenges for advanced reactors that might be addressed through transformational uses of AI/ML. Discussion panels focused on four high-interest technical domains for advanced reactors: design, maintenance and operations, energy storage, and materials. The results of those discussions are summarized in this report. This includes opportunities that were identified for exploiting AI techniques and methods to improve the efficacy and efficiency of reactor analysis and to improve the operation and optimization of advanced reactors. Advanced reactor developers expressed an interest in learning more about AI/ML methods and their application. This included understanding whether ML methods can provide an advantage over existing nonlinear data regression methods for collapsing high-fidelity simulation results into faster running models. A consensus emerged that AR advances planned for the next decade will benefit from the use of AI/ML tools. The need exists to understand and model complex systems across length scales and modalities. AI/ML is a tool for discovery that can yield a set of engineering principles for use by nuclear engineers, licensing bodies, and operators to solve problems in plant design, safety analyses, autonomous operation, and predictive maintenance. While AI/ML represents a new set of tools, an awareness by the nuclear community of the full potential is still in the early stages so there is a need to increase awareness. It appears that the wide-spread adoption of AI/ML tools for ARs would be facilitated by future educational workshops that describe foundational methods and capabilities and describe successful applications.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2023

The fully coupled regionally refined model of E3SM version 2: overview of the atmosphere, land, and river results

Abstract. This paper provides an overview of the United States (US) Department of Energy's (DOE's) Energy Exascale Earth System Model version 2 (E3SMv2) fully coupled regionally refined model (RRM) and documents the overall atmosphere, land, and river results from the Coupled Model Intercomparison Project 6 (CMIP6) DECK (Diagnosis, Evaluation, and Characterization of Klima) and historical simulations – a first-of-its-kind set of climate production simulations using RRM. The North American (NA) RRM (NARRM) is developed as the high-resolution configuration of E3SMv2 with the primary goal of more explicitly addressing DOE's mission needs regarding impacts to the US energy sector facing Earth system changes. The NARRM features finer horizontal resolution grids centered over NA, consisting of 25→100 km atmosphere and land, a 0.125∘ river-routing model, and 14→60 km ocean and sea ice. By design, the computational cost of NARRM is ∼3× of the uniform low-resolution (LR) model at 100 km but only ∼ 10 %–20 % of a globally uniform high-resolution model at 25 km. A novel hybrid time step strategy for the atmosphere is key for NARRM to achieve improved climate simulation fidelity within the high-resolution patch without sacrificing the overall global performance. The global climate, including climatology, time series, sensitivity, and feedback, is confirmed to be largely identical between NARRM and LR as quantified with typical climate metrics. Over the refined NA area, NARRM is generally superior to LR, including for precipitation and clouds over the contiguous US (CONUS), summertime marine stratocumulus clouds off the coast of California, liquid and ice phase clouds near the North Pole region, extratropical cyclones, and spatial variability in land hydrological processes. The improvements over land are related to the better-resolved topography in NARRM, whereas those over ocean are attributable to the improved air–sea interactions with finer grids for both atmosphere and ocean and sea ice. Some features appear insensitive to the resolution change analyzed here, for instance the diurnal propagation of organized mesoscale convective systems over CONUS and the warm-season land–atmosphere coupling at the southern Great Plains. In summary, our study presents a realistically efficient approach to leverage the fully coupled RRM framework for a standard Earth system model release and high-resolution climate production simulations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

A Deep Learning Modeling Framework to Capture Mixing Patterns in Reactive-Transport Systems

Prediction and control of chemical mixing are vital for many scientific areas such as subsurface reactive transport, climate modeling, combustion, epidemiology, and pharmacology. Due to the complex nature of mixing in heterogeneous and anisotropic media, the mathematical models related to this phenomenon are not analytically tractable. Numerical simulations often provide a viable route to predict chemical mixing accurately. However, contemporary modeling approaches for mixing cannot utilize available spatial-temporal data to improve the accuracy of the future prediction and can be compute-intensive, especially when the spatial domain is large and for long-term temporal predictions. To address this knowledge gap, in this work we will present in this paper a deep learning (DL) modeling framework applied to predict the progress of chemical mixing under fast bimolecular reactions. This framework uses convolutional neural networks (CNN) for capturing spatial patterns and long short-term memory (LSTM) networks for forecasting temporal variations in mixing. By careful design of the framework—placement of non-negative constraint on the weights of the CNN and the selection of activation function, the framework ensures non-negativity of the chemical species at all spatial points and for all times. Our DL-based framework is fast, accurate, and requires minimal data for training. The time needed to obtain a forecast using the model is a fraction (≈ O(-6)) of the time needed to obtain the result using a high-fidelity simulation. To achieve an error of 10% (measured using the infinity norm) for capturing local-scale mixing features such as interfacial mixing, only 24% to 32% of the sequence data for model training is required. To achieve the same level of accuracy for capturing global-scale mixing features, the sequence data required for model training is 64% to 70% of the total spatial-temporal data. Hence, the proposed approach—a fast and accurate way to forecast long-time spatial-temporal mixing patterns in heterogeneous and anisotropic media—will be a valuable tool for modeling reactive-transport in a wide range of applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Robotics for Energy Infrastructure Construction on Earth and Beyond: Pilot Study Exploring Level 3-4 Semi-Autonomous Installation of a Reduced-Scale Photovoltaic Power Plant Prototype: Preprint

There is a growing need to build energy infrastructure at massive scale on both Earth and in space. On Earth, increasing electricity demand from applications such as AI data centers is driving rapid expansion of power systems, while in space, long-duration missions such as lunar operations require reliable and resilient energy infrastructure that can be deployed quickly. These needs outpace the capabilities of conventional construction methods. Robotic construction offers a path to faster, lower-cost, and more consistent deployment, yet most existing approaches focus on automating individual tasks rather than end-to-end assembly. The Industrialized Construction Innovation (ICI) team at the National Laboratory of the Rockies (NLR), in collaboration with the Colorado School of Mines, has been investigating robotics and automation strategies for rapid end-to-end energy infrastructure construction. This paper presents a pilot study demonstrating level 3-4 semi-autonomous, end-to-end robotic assembly of a reduced-scale photovoltaic power plant prototype under terrestrial conditions. The approach combines hardware redesign of photovoltaic components for robotic compatibility, discrete-event and physics-based robotic simulations in synthetic environments, and sim-to-real deployment to execute end-to-end robotic assembly of[NM1.1][NM1.2] tracking components, structural members, photovoltaic modules, and embedded electrical connections. The pilot identifies key limitations like tolerance management, perception and localization, end effector capability, fastening methods, and multi-physics simulation fidelity, that must be addressed to enable end-to-end robotic assembly of full-scale energy infrastructure. The study highlights how these insights inform scaling strategies for terrestrial energy infrastructure and adaptation to unstructured and extreme environments, including off-world scenarios such as robotic assembly of vertical tall lunar towers.

14 SOLAR ENERGY↗
NASA NTRSDate not supplied

End-To-End Uncertainty Quantification with Analytical Derivatives for Design Under Uncertainty

Uncertainty quantification (UQ) is a rapidly growing and evolving discipline, especially within the aerospace community. Performing analysis with UQ can provide decision makers with a wealth of information about a candidate design. However, the value of UQ is fully realized when the information gained during UQ analysis is leveraged in a feedback loop of a design optimization process, often referred to as design under uncertainty. Although design under uncertainty can be a powerful risk mitigation technique, there are a number of roadblocks that prevent its implementation. Two primary factors are computational costs and added complexity of the analysis. High fidelity simulations on the order tens of uncertain variables quickly become computationally infeasible. Also, implementing UQ into an existing multidisciplinary design and optimization (MDO) process often requires extensive knowledge of the UQ methods and careful treatment of the problem formulation. The objective of this work is to address these two primary roadblocks and enable practitioners to efficiently perform design under uncertainty with limited knowledge of the UQ discipline. Methods outlined in this paper demonstrate MDO incorporating UQ into the design process, leveraging an analytic derivative tool chain through the entire optimization. The proposed approach leverages machine learning techniques to generate a differentiable confidence interval output from polynomial chaos models. This technique, coupled with the incorporation of analytical derivatives through the Polynomial Chaos Expansion (PCE) process, eliminates the need to estimate derivatives which are usually obtained from finite difference, complex step, or similar methods. Developing a differentiable confidence interval allows mixed uncertainty problems (both epistemic and aleatory) to be modeled. Without such modeling, these problems cannot accurately predict objective functions containing statistical quantities such as mean and variance. The addition of analytic derivatives to a polynomial chaos-based UQ method decreases the computational costs of performing design under uncertainty by orders of magnitude in comparison with methods such as complex step. The method and codes developed are modular in nature and are a drop-in solution for design under uncertainty within existing MDO problems. A low-fidelity analytical multidisciplinary optimization under uncertainty for a wing design in OpenMDAO is detailed in this paper. This demonstration case will include both objective functions and constraints which are influenced by uncertain parameters.

Ben D Phillips↗
NASA NTRSDate not supplied

End-To-End Uncertainty Quantification with Analytical Derivatives for Design Under Uncertainty

Uncertainty quantification (UQ) is a rapidly growing and evolving discipline, especially within the aerospace community. Performing analysis with UQ can provide decision makers with a wealth of information about a candidate design. However, the value of UQ is fully realized when the information gained during UQ analysis is leveraged in a feedback loop of a design optimization process, often referred to as design under uncertainty. Although design under uncertainty can be a powerful risk mitigation technique, there are a number of roadblocks that prevent its implementation. Two primary factors are computational costs and added complexity of the analysis. High fidelity simulations on the order tens of uncertain variables quickly become computationally infeasible. Also, implementing UQ into an existing multidisciplinary design and optimization (MDO) process often requires extensive knowledge of the UQ methods and careful treatment of the problem formulation. The objective of this work is to address these two primary roadblocks and enable practitioners to efficiently perform design under uncertainty with limited knowledge of the UQ discipline. Methods outlined in this paper demonstrate MDO incorporating UQ into the design process, leveraging an analytic derivative tool chain through the entire optimization. The proposed approach leverages machine learning techniques to generate a differentiable confidence interval output from polynomial chaos models. This technique, coupled with the incorporation of analytical derivatives through the Polynomial Chaos Expansion (PCE) process, eliminates the need to estimate derivatives which are usually obtained from finite difference, complex step, or similar methods. Developing a differentiable confidence interval allows mixed uncertainty problems (both epistemic and aleatory) to be modeled. Without such modeling, these problems cannot accurately predict objective functions containing statistical quantities such as mean and variance. The addition of analytic derivatives to a polynomial chaos-based UQ method decreases the computational costs of performing design under uncertainty by orders of magnitude in comparison with methods such as complex step. The method and codes developed are modular in nature and are a drop-in solution for design under uncertainty within existing MDO problems. A low-fidelity analytical multidisciplinary optimization under uncertainty for a wing design in OpenMDAO is detailed in this paper. This demonstration case will include both objective functions and constraints which are influenced by uncertain parameters.

Ben Phillips↗
DOE OSTI2023

Biochemical Process Modeling and Simulation (BPMS)

The Biochemical Process Modeling and Simulation project aims to reduce the cost and time of research by applying theory, modeling, and simulation to the most relevant bottlenecks in the biochemical process. We use molecular modeling, quantum mechanics, metabolic modeling, fluid dynamics, and reaction-diffusion methods in close collaboration with pretreatment, hydrolysis, upgrading, and TEA. The project's outcomes are increased yields and efficiency of the biochemical process, added value to products, and reduced price of fuels by specifically targeting catalytic efficiency, reactor design, enzyme efficiency, and microbial design. We work closely with experimental projects to identify problems and iterate with experiments to find and refine solutions. By working with experimentalists, we decide on problems that can be solved with simulation that could otherwise not be solved or would take too long with experiment alone to reach BETO's targets. Over the years, we have produced solutions that have resulted in determining the most likely fatty-acid derivative for passive transport out of bacteria that upgrade biomass, and we have also designed enzyme mutations for enhanced lignin upgrading. Metabolic models have been developed to tune the activity of 2,3 butanediol production for the 2030 target. A computational method to deliver understanding of how complex omics data can be interpreted in the metabolic pathways of organisms used in the Agile Biofoundry. We have found methods to overcome specific barriers and continue to develop those methods. Our reactor studies have guided the design of both the microbes and reactors for aerobic and micro-aerobic production at all scales and have been instrumental in improving the accuracy of techno-economic analysis models. This project is essential in the process of selecting the final processes for 2030 SAF production targets. More specifically, recently, we have: 1) Predicted the strength of the basic structural interactions in commodity plastics to provide guidance for plastics upcycling strategies. 2) Developed computational tool to improve the characterization of lignin-derived compounds 3) Developed new methodologies to enable Machine Learning-based Directed Evolution for protein engineering. 4) Developed Machine Learning methods to predict protein promiscuity and mutations to further improve microbial and enzymatic driven processes and demonstrated the utility of ML approaches to engineering proteins from sparse experimental datasets. 5) Developed new methods to enable high-fidelity simulation of aerobic fermentation at industrial scale and resolving mismatch of time scales through subcycling/operator splitting 7) Identified the difficulty in preventing local high-oxygen conditions in industrial bubble columns, which leads to less-desirable acetoin production, suggesting future research directions in alternative reactor configurations (e.g loop reactors, shallow-channel reactors).

BIOMASS FUELS↗
NASA NTRSDate not supplied

Latest Development in Radiative Transfer Models and Retrieval Algorithms Using Principal Components

The radiative transfer model (RTMs) has a wide range of applications in satellite remote sensing and atmospheric radiation applications. However, millions of line-by-line (LBL) radiative transfer calculations at fine monochromatic frequencies are needed in order to properly calculate spectral contributions of water vapor and trace gases in the atmosphere in infrared and solar spectral regions. Therefore, fast and accurate RTMs are needed to efficiently process large amount of satellite data. A Principal Component-based Radiative Transfer Model (PCRTM) was first developed in 2004 at NASA Langley Research Centre to fulfil this need. By using PC-compression, one can reduce the data dimension significantly while maintaining original information content. The PCRTM can directly compute PC-scores and their derivatives with respect to retrieved parameters. The PCRTM can simulate the top-of-atmosphere (TOA) radiance or reflectance spectra from 0.250 µm (400000 cm-1) to 2000 µm (50 cm-1) with several orders of magnitude faster speed as compared to a LBL RTM. It is also extremely accurate compared to LBL RTM benchmarks (0.03 K RMS error in IR and 0.05% in solar). The PCRTM model has been developed for hyperspectral sensors such as AIRS, CrIS, IASI, NAST-I, SHIS, FIRST, and CLARREO-IR in thermal IR spectral region and CLARREO-Solar, CPF, TEMPO, EMIT, OMI, and SCIAMACHY in solar spectral region. The PCRTM accuracy has been demonstrated via RTM intercomparisons and with real satellite observations from AIRS, CrIS, IASI, SCHIAMACHY, and EMIT etc. In this presentation, we will describe two PCRTM-based inversion algorithms to retrieve atmospheric temperature, water vapor, and trace gas profiles, as well as cloud and surface properties from hyperspectral sounders such as AIRS, CrIS, IASI, and NAST-I. The first one is called Single Fieldof-view Sounder Atmospheric Product (SiFSAP) algorithm. It provides L2 products with 9-times higher area spatial resolution as compared to current cloud-clearing sounder algorithms. The SiFSAP L2 and L3 products are available at NASA's Goddard Earth Sciences Data and Information Services Center (GES DISC) for public access. The second inversion algorithm is called Climate Fingerprinting Atmospheric Product (ClimFiSP) algorithm. It is designed to produce high quality climate products (trends, anomalies, daily, and monthly profiles of temperature, water vapor, traces, clouds, and surface properties) from multiple satellite sensors such AIRS on Aqua and CrIS on multiple satellites. This product will be available at NASA GES DISC later this year. The PCRTMbased high fidelity simulators for CLARREO and CPF have been used for sensor performance trade studies, algorithm development, and inter-satellite calibrations. We have also used PCRTM generated TOA radiance spectra to train an AI-based algorithm and successfully retrieved cloud properties from EMIT solar hyperspectral imagers.

PCRTM↗
DOE OSTI2026

An adaptive model-free robotic force control strategy for hydrodynamic real-time hybrid simulation of floating offshore wind turbines

Real-time hybrid simulation (RTHS) - a cyber-physical testing approach - promises to enhance the simulation fidelity of the model-scale experiments used to prototype floating offshore wind turbines (FOWTs). In hydrodynamic RTHS (hydro-RTHS), actuators emulate aerodynamic forces on model-scale FOWT specimens subjected to physical waves in a hydrodynamic laboratory. Robotic arms are promising candidates for actuation in hydro-RTHS due to their compact multi-degree-of-freedom (DOF) capabilities. Unlike classical RTHS for seismic applications, which typically relies on displacement control, hydro-RTHS requires 6-DOF force control on newly designed floating prototypes in a model-scale setting, which presents significant challenges, including modeling uncertainties, directional asymmetry, configuration drift, bandwidth limitations, and time-varying delays. To mitigate these constraints without extensive pre-test calibration, this study proposes an adaptive model-free robotic force control strategy that combines task-space explicit force control with a secondary joint-space pose-keeping task. The Adaptive Feedforward Compensator (AFC) is integrated into the force control loop to compensate for time-varying delay. Experimental testing was conducted using a Franka Emika Panda robotic arm with a 1:50 scale FOWT specimen under operational wind and wave conditions. Results demonstrate stable and consistent 6-DOF force tracking. Effective delay compensation was observed, with low-frequency delay reductions ranging from 71.4% to 91.8% and improvements in low-frequency surge force tracking of 25.0% to 52.1%. This study enhances robotic actuation performance in hydro-RTHS and introduces a force control strategy that supports reliable robotic operation in uncertain floating environments. Future work will explore disturbance-observer mechanisms to further enhance wave rejection capabilities under extreme wind and wave conditions.

17 WIND ENERGY↗
DOE OSTI2017

Gaussian process-based surrogate modeling framework for process planning in laser powder-bed fusion additive manufacturing of 316L stainless steel

Here, Laser Powder-Bed Fusion (L-PBF) metal-based additive manufacturing (AM) is complex and not fully understood. Successful processing for one material, might not necessarily apply to a different material. This paper describes a workflow process that aims at creating a material data sheet standard that describes regimes where the process can be expected to be robust. The procedure consists of building a Gaussian process-based surrogate model of the L-PBF process that predicts melt pool depth in single-track experiments given a laser power, scan speed, and laser beam size combination. The predictions are then mapped onto a power versus scan speed diagram delimiting the conduction from the keyhole melting controlled regimes. This statistical framework is shown to be robust even for cases where experimental training data might be suboptimal in quality, if appropriate physics-based filters are applied. Additionally, it is demonstrated that a high-fidelity simulation model of L-PBF can equally be successfully used for building a surrogate model, which is beneficial since simulations are getting more efficient and are more practical to study the response of different materials, than to re-tool an AM machine for new material powder.

316L stainless steel↗
DOE OSTI2025

A rheological model for loose sands with insights from DEM

A rheological model for loose granular media is developed to capture both solid-like and fluid-like responses during shearing. The proposed model is built by following the mathematical structure of an extended Kelvin–Voigt model, where an elastic spring and plastic slider act in parallel to a viscous damper. This arrangement requires the partition of the total stress into rate-independent and rate-dependent stress components. To model the solid-like behavior, a simple frictional plasticity model is adopted without modifications, thus contributing to the rate-independent stress. Instead, the fluid-like or rate-dependent stress is further decomposed into deviatoric and volumetric parts, by proposing a new formulation based on a combination of the μ(I) relation, originally developed under pressure-controlled shear, with a pressure-shear rate relation derived under volume-controlled shear. The proposed formulation allows the model to capture both the increase in the friction coefficient and the enhanced dilation at high shear rates. High-fidelity simulation data, obtained from discrete element method and multiscale modelling, are used to evaluate the performance of the proposed constitutive model. The model provides accurate results under both drained and undrained simple shear paths across a wide range of shear rates. Furthermore, it successfully reproduces at much lower computational cost the flowslide mobility computed through multiscale simulations, which is primarily regulated by the shear rate dependence of the material properties during the dynamic runout stage.

Elasticity↗
DOE OSTI2022

Sensitivity Analysis of an Electrospray Dehumidification System

Electrically enhanced condensation achieved by an electrospray system can enhance dehumidification in HVAC applications if successfully scaled up. The first step towards scale-up is identifying critical design and operating parameters that significantly impact dehumidification for the electrospray system. Sensitivity analysis is one approach for identifying critical parameters. This paper presents a methodology that can efficiently perform quantitative sensitivity analysis on a computationally expensive high fidelity simulation model, which is a computational fluid dynamics (CFD) model of the electrospray system. The methodology employs surrogate modeling and Sobol sensitivity analysis. We estimate the main and total effect Sobol sensitivity indices of four operating parameters of the electrospray system. The results reveal that the most important parameter is the size of the sprayed droplets, followed by the volumetric flow rate of the bulk air and injected water in the system. The water injection velocity of the spray was found to have little to no impact on dehumidification.

Young, David↗
DOE OSTI2017

Dimensionality reducibility for multi-physics reduced order modeling

Applications of reduced order modeling (ROM) to support analysis of complex reactor behavior using high fidelity simulations have developed rapidly in recent years. Reduction implies any computational approach aiming to reduce the cost of the simulation, especially for situations involving repeated executions such as probabilistic risk assessment and uncertainty quantification applications. This article presents a novel non-intrusive methodology to render reduction for multi-physics models by taking advantage of the combined reduction introduced by each sub-physics in the simulation. Next, a surrogate model is constructed in terms of the reduced dimensions. A key component of the proposed methodology is to upper-bound the errors resulting from the reduction to ensure its reliability for subsequent engineering applications. To implement and demonstrate the proposed ROM algorithm, the INL’s MAMMOTH environment is employed to analyze the level of reduction in the coupled radiation-thermal transport modeling of a 2D quarter fuel pin in a light water reactor spectrum. MAMMOTH couples the neutronics model of Rattlesnake module and the fuel performance model of BISON module. Here, the results show that the reduction obtained with coupled physics is more significant than that with individual sub-physics models.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Spatially dependent embedded self-shielding method for nonuniform temperature distribution

The embedded self-shielding method (ESSM) is simple and robust, and applicable to any geometrical configuration to account for resonance self-shielding by performing fixed source transport calculations. ESSM is very similar to the subgroup method, which has been successful in the MPACT neutronics code developed by CASL. The subgroup method introduces errors in a least-squares fitting process that is used to generate subgroup quadrature sets and cannot be applied to thermal energy groups, as ESSM introduces error for spatially dependent self-shielded cross sections inside the fuel. This study focused on integrating the conventional ESSM with an improved Stoker-Weiss method to obtain spatially dependent resonance self-shielded cross sections for a nonuniform fuel temperature distribution. Here, the proposed method would serve as a substitute for the subgroup method in high fidelity simulations using CASL’s VERA. Benchmark results show that this new, spatially dependent ESSM (SDESSM) is an appropriate candidate to replace the subgroup method.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

An uncertainty quantification method relevant to material test reactors

Within material test reactor calculations, energy dependent flux and reaction rate uncertainties are typically not quantified when performing as-run analyses to determine the neutron field experienced by the experiment. When high fidelity Monte-Carlo codes are used in such analyses, straight forward methods to calculate output uncertainties are not available, instead expert opinion is used to postulate computational uncertainties. New methods to propagate uncertainties through these high fidelity simulations are available when sufficient computational power is available. A tool is developed here for sampling any part of an MCNP input from random distributions to determine output uncertainties based on those inputs. Another tool is developed to sample nuclear data cross-section in ACE format using multi-group nuclear data covariances. The Total Monte-Carlo Method and Gesellschaft für Anlagen-und Reaktorsicherheit method (GRS) are implemented and compared to one another as well as MCNP sensitivity and uncertainty calculations. The methods were applied to the Godiva critical sphere k-eigenvalue, the UAM pin-cell benchmark energy dependent flux and reaction rates, and the Advanced Test Reactor energy dependent flux within an experimental location. Furthermore, the two methods agree well, with GRS allowing for an order of magnitude speedup for reaction rate uncertainty calculations and several orders of magnitude for eigenvalue uncertainty calculations.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2022

Parametric model-order reduction for radiation transport using multi-resolution proper orthogonal decomposition

For parametric high-fidelity simulations, it is often desirable to utilize a reduced-order model (ROM) to emulate, at a reduced computational cost, parametric solutions of the governing partial differential equations (PDEs) for unseen parameter values. One commonly employed option is to utilize a data-driven, projection-based ROM supplemented with subspace identification via proper orthogonal decomposition (POD). POD discovers the ROM subspace by computing the singular value decomposition (SVD) of a set of training data from the full-order model (FOM). In streaming-dominated radiation transport simulations with localized sources, solutions often greatly vary over the spatial domain by many orders of magnitude. In such cases, machine-precision arithmetic can be insufficient to obtain an accurate SVD, resulting in a poorly performing ROM. We present a method called multiresolution POD (mrPOD) that mitigates these inaccuracies. The mrPOD method works by decomposing the spatial domain into regions and performing proper orthogonal decomposition on the training dataset separately in each region. In conclusion, mrPOD is tested on single energy group and multigroup atmospheric shielding transport problems and is shown to outperform classic POD.

42 ENGINEERING↗