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At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Evaluation of RMI Ejecta Sourcing from Reconstructed Interfaces in 2D FLAG Flyer-Plate Simulations

This study investigates the performance of RMI ejecta sourcing from a reconstructed interface in two-dimensional FLAG ejecta flyer-plate simulations. Enabling the RMI ejecta model to operate on reconstructed interfaces has been a longstanding challenge in FLAG, limiting its applicability to experiments in which interface reconstruction is not required. Addressing this limitation is therefore an important step toward expanding the model’s predictive capability. The first phase of this effort focused on identifying a flyer-plate/target configuration that produces large ejecta clouds from two distinct shocks using the standard RMI ejecta model. A series of simulations examined the effects of flyer composition, layer thickness, and mesh resolution on shock structure and ejecta formation. VISAR traces were used to evaluate shock timing and identify configurations that produced a clear double-shock response. A copper middle-layer flyer with a doubled tin layer yielded the most favorable shock characteristics and was selected as the baseline configuration. After confirming this configuration performed as expected when running a reference FLAG version, it became the basis for three simulations: (1) a standard two-dimensional ejecta flyer-plate calculation using a reference FLAG version, (2) the same calculation with the reconstructed interface option enabled, and (3) a calculation employing ALE strategies to force the ejecta model to operate on the reconstructed interface. While the baseline simulation produced the expected ejecta response, the reconstructed interface approach did not result in measurable ejecta, indicating that this capability remains under development. These results highlight both the progress made and the remaining challenges in extending the RMI ejecta model to reconstructed interfaces.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Automated phase segmentation and quantification of high-resolution TEM image for alloy design

In the alloy design and development process, a wealth of atomically resolved structural high-resolution transmission electron microscopy (HRTEM) images are produced. Identifying the different nano-precipitate phases and tracking their evolution under various compositions and during manufacturing or post-processing requires hundreds of HRTEM images and thousands of precipitates. The nanoscopic phase information labeling and analysis purely relies on humans are prohibitively costly and time-consuming, sometimes not reliable because of the lack of authoritative knowledge. Here, in this work, we develop a novel unsupervised machine learning approach coupled with adaptive computer vision techniques with features in the Fourier space to automatically determine the number of phases and segment/quantify the phases with nanoscale resolution, allowing for quantitative correlation between nanostructure formation, processing and functional properties. To automate the phase extraction/quantification and ascertain its applicability, we have applied the developed framework to the HRTEM images from several alloy systems, processing conditions, image magnifications, and phase types and morphologies (precipitates, nano-twins, stacking faults, crystalline matrix, and amorphous structures) for verification. This study paves the road for compression, visualization, and translation of raw image structural data into physically relevant information in real-time with minimal human supervision. It shows the promise of enabling high-throughput materials characterization for the acceleration of alloy manufacturing and design.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Robust Solution Verification Experiments on Nonuniform Meshes

The activities of verification, validation, and uncertainty quantification (VVUQ) provide a comprehensive means to assess the credibility of computational models. Within VVUQ, solution verification assesses numerical errors and evaluates whether the simulation is sufficiently accurate for its intended applications. As computational modeling gains traction in the development of complex, high-consequence systems, the need for robust solution verification intensifies, particularly because experimental data for these systems are often limited. This work examines improvements in the robustness of Richardson extrapolation (RE), a method commonly used in solution verification to study the discretization error of computational models using a power law. Nonuniform mesh refinement is discussed alongside other pollutants that affect the robustness of the power law model. Maximum likelihood estimation (MLE) is proposed as a robust strategy to address the uncertainty generated by nonuniform mesh refinement. An exploratory computational fluid dynamics (CFD) study of a 2D planar Poiseuille flow is conducted to determine if nonuniform mesh noise can be modeled with this MLE approach for more robust RE.

Weinmeister, Justin [ORNL] (ORCID:0000000160090237↗
DOE OSTI2024

Development & Experimental Validation of a Generalized Resistance-Capacitance Model for Numerical Simulation of Phase-Change Material Embedded Heat Exchangers

Latent heat thermal energy storage (LHTES) using phase change material (PCM) has attracted increased attention as a viable solution for overcoming the mismatch between energy supply and demand for renewable energy-based systems. PCM-embedded heat exchangers (PCM-HX) have the potential to significantly improve thermal performance due to high storage capacity and low temperature variation during the phase change process. Most models for simulating LHTES heat transfer use Computational Fluid Dynamics (CFD) simulations, which have high computational costs resulting from considering the complex and time-dependent physics relevant to PCM-HXs. In this paper, a Generalized Resistance Capacitance-based Model (GRCM) was developed to predict the thermal performance of arbitrary PCM-HXs in a computationally efficient manner without compromising modeling accuracy. The GRCM is exercised for three case studies: (i) verification for a single-slabbed finned PCM-HX, (ii) verification and validation for a copper foam/paraffin composite PCM-HX, and (iii) validation for a straight tube annular finned PCM-HX. The copper foam PCM-HX uses an electric heater at the top of HX, while the other two configurations utilize water as heat transfer fluid. For the single-slabbed finned PCM-HX melting case, the mean deviation in average PCM temperature predicted by the GRCM compared to the CFD model was between 0.56 – 0.73 K, with maximum temperature deviation of 2.68 K. For the HTF outlet temperature, the validation results showed that GRCM prediction matches very well with experimental data, with mean temperature deviation of 0.24 K during melting case, while for solidification case was 0.34 K. These results showcase the GRCM’s capability for accurately reproducing the thermal characteristics of PCM-HXs with considerably lower computational effort.

42 ENGINEERING↗
DOE OSTI2022

Development, verification, and validation of comprehensive acoustic fluid-structure interaction capabilities in an open-source computational platform

The acoustic fluid-structure interaction (FSI) formulation is a practical numerical approach for the seismic analysis of fluid-filled tanks. However, there are no verification and validation studies reported in the literature that demonstrate the ability of an acoustic FSI numerical model to predict responses important to structural and mechanical design for intense translational and rotational earthquake inputs. Herein, an acoustic FSI formulation is implemented in the open-source Multiphysics Object-Oriented Simulation Environment (MOOSE), and is formally verified and validated using analytical solutions and code-to-code verification, and experimental data, respectively. The analytical solutions are for small amplitude, unidirectional seismic inputs. The code-to-code verification utilizes a previously verified and validated Arbitrary Lagrangian-Eulerian (ALE) numerical model in the commercial finite element code LS-DYNA. The validation studies utilize a comprehensive data set assembled from results of 3D earthquake-simulator tests of a fluid-filled vessel. The acoustic numerical model in MOOSE is verified and validated for hydrodynamic pressures and support reactions except for cases that involve significant convective response. For small amplitude inputs, numerically predicted wave heights match those of the analytical solutions. The numerical model is not verified and validated for wave height calculations under intense 3D seismic inputs. The run times for the acoustic FSI simulations in MOOSE are an order of magnitude, or more, shorter than for the corresponding ALE simulations in LS-DYNA. The utility of the MOOSE acoustic FSI implementation is demonstrated by seismic analysis of a building equipped with a fluid-filled, advanced nuclear reactor.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Non-Nuclear Test Facility Development to Support Verification and Validation Needs

This study focuses on developing a non-nuclear test facility to help meet the verification and validation (V&V) requirements of a water-cooled small modular reactor (SMR) system. The scaling analysis necessary for reactor system experimentation and assessment model V&V considers various reactor system accident scenarios such as main steam line break (MSLB), steam generator tube rupture (SGTR), and containment condensation and heat transfer. The goal is to identify key physics based phenomena of interest (POI), specific figures of merit (FOMs), and the state of knowledge (SOK) by employing phenomena identification and ranking table (PIRT) studies. Important physics phenomena such as heat transfer, fluid dynamics, structural integrity, and material selection must be addressed when scaling a thermal-hydraulics system. Alongside these considerations, modifications to the facility may be needed to align the scaled system with the available footprint (height and space) of the facility. These modifications may include infrastructure upgrades, changes to the piping layout, implementation of safety measures, and installation of new instrumentation and control systems. The test facility aims to provide a scaled-down version of prototypic facilities for comprehensive V&V activities by overcoming these challenges and making the necessary modifications. This approach minimizes scaling distortion, simulates prototypic plant conditions, and accurately models accident event progressions. Thus, the facility will be capable of adequately modeling a scaled SMR system to support the design, development and licensing needs.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2021

A process to verify numerical models for seismic fluid-structure interaction in advanced reactor vessels

Seismic design and qualification of a liquid-filled advanced nuclear reactor will have to account for fluid-structure interaction (FSI). Interaction between the tank, internal components, and contained liquid will rely on analysis of numerical models that must be verified and validated. Here this study demonstrates a verification process for models of a base-supported cylindrical tank by comparing numerical predictions and analytical solutions. The numerical models are consistent with the assumptions made to derive analytical solutions, namely, either a rigid or a linear elastic tank, ideal fluid, and small-amplitude, unidirectional, horizontal inputs. One software platform is used to illustrate the process. Seismic FSI analysis is performed using the Arbitrary Lagrangian-Eulerian (ALE) and Incompressible Computational Fluid Dynamics (ICFD) solvers in LS-DYNA. Reported responses are those used for design, including hydrodynamic pressures on the tank wall, shear forces and moments at the tank base, and wave heights of the contained liquid. The accuracy of the numerical results is discussed. The numerical models are verified for calculating the pressures on the tank wall and reactions at its base. Accurate simulation of wave action is challenging for both solvers. Recommendations for modeling, code development, and steps for verification are provided. Although focused on reactor vessels and one software platform, the verification process described herein is broadly applicable to liquid-filled vessels and other finite element codes.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

Conditioned Simulation of Ground-Motion Time Series at Uninstrumented Sites Using Gaussian Process Regression

Ground-motion time series are essential input data in seismic analysis and performance assessment of the built environment. Because instruments to record free-field ground motions are generally sparse, methods are needed to estimate motions at locations with no available ground-motion recording instrumentation. In this study, given a set of observed motions, ground-motion time series at target sites are constructed using a Gaussian process regression (GPR) approach, which treats the real and imaginary parts of the Fourier spectrum as random Gaussian variables. Model training, verification, and applicability studies are carried out using the physics-based simulated ground motions of the 1906 Mw 7.9 San Francisco earthquake and Mw 7.0 Hayward fault scenario earthquake in northern California. Additionally, the method’s performance is further evaluated using the 2019 Mw 7.1 Ridgecrest earthquake ground motions recorded by the Community Seismic Network stations located in southern California. These evaluations indicate that the trained GPR model is able to adequately estimate the ground-motion time series for frequency ranges that are pertinent for most earthquake engineering applications. The trained GPR model exhibits proper performance in predicting the long-period content of the ground motions as well as directivity pulses.

58 GEOSCIENCES↗
DOE OSTI2024

A robust spectral element implementation of the $k - τ$ RANS model in Nek5000/NekRS

The $k - ω$ Reynolds Averaged Navier Stokes (RANS) model is one of the industry standard approaches for modeling of turbulent flows. It performs better than the $k - ϵ$ model for low Reynolds number flows and is also more suitable for boundary layers with adverse pressure gradients. Major drawback of the model, however, is that the asymptotic value of $ω$ at the walls is singular, necessitating the use of a contrived “sufficiently” large value for $ω$ as the boundary condition for its transport equation. Here, this invariably leads to the solution being sensitive to near wall grid spacing. While an acceptable solution for low order (finite volume) methods, the excessive near wall gradients lead to persistent numerical stability issues in high order codes. To alleviate the problem, specifically in the context of the high order spectral element code Nek5000, a regularized $k - ω$ approach was formulated in our prior work (Tomboulides et al., 2018). The formulation, however, relies on the use of wall distance and its gradients for modeling the closure terms and can pose problems for simulations in complex geometries. This work presents a novel implementation of the $k - τ$ RANS model in Nek5000, where $τ = 1/ω$, eliminating the need for regularization, owing to the asymptotically bounded behavior of the source terms in the $τ$ transport equation, and also eliminating dependence on wall distance. Robustness and stability of the $k - τ$ model is ensured through implicit treatment of the source terms and their careful numerical implementation and demonstrated through several cases aimed at verification and validation. Studies include both canonical and engineering relevant problems, viz., turbulent channel flow, pipe flow, backward facing step, flow over NACA 0012 airfoil and flow in a T-junction. Results from the $k - τ$ model are shown to be consistent with regularized $k - ω$ model and also with the $k - ω$ SST model in OpenFOAM (for select studies). Comparison with experimental data is also shown, where available, to bolster validation efforts for the $k - τ$ model implementation through prediction of key turbulent quantities of interest.

Nek5000↗
DOE OSTI2022

Validation of CFD simulations of the moored DeepCwind offshore wind semisubmersible in irregular waves

This article examines the use of computational fluid dynamics (CFD) simulations to predict the response of a floating wind platform to irregular-wave excitation. This work was conducted as part of the Reproducible CFD Joint Industry Project for Floating Offshore Wind Applications and involved verification across several participants and modeling tools and validation against experiments. The authors pay special attention to the uncertainties in both CFD results and experimental measurements. In this work, we perform detailed comparisons of the incident waves and the motion of a moored structure. The nonlinear, low-frequency resonance motion is of particular interest because it potentially drives the mooring and tower-base loads. The verification and validation study is partially successful in that the CFD simulations capture the low-frequency slow-drift motion well but underpredict the low-frequency pitch resonance. This underprediction can be attributed in part to the CFD incident waves, which showed some discrepancies with the experimental waves, especially around extreme events. The effects of the wave discrepancies are also estimated and investigated using a mid-fidelity OpenFAST model. Overall, the present study increases our confidence in using CFD simulations to predict the global performance of offshore wind platforms in irregular waves and to produce data for the calibration of lower-fidelity models.

17 WIND ENERGY↗
DOE OSTI2025

Quantum error mitigation for Fourier moment computation

Hamiltonian moments in Fourier space—expectation values of the unitary evolution operator under a Hamiltonian at different times—provide a convenient framework to understand quantum systems. They offer insights into the energy distribution, higher-order dynamics, response functions, correlation information, and physical properties. This paper focuses on the computation of Fourier moments within the context of a nuclear effective field theory on superconducting quantum hardware. The study integrates echo verification and noise renormalization into Hadamard tests using control reversal gates. These techniques, combined with purification and error suppression methods, effectively address quantum hardware decoherence. The analysis, conducted using noise models, reveals a significant reduction in noise strength by two orders of magnitude. Moreover, quantum circuits involving up to 266 gates over five qubits demonstrate high accuracy under these methodologies when run on IBM superconducting quantum devices. Published by the American Physical Society 2025

Kiss, Oriel (ORCID:0000000174613342)↗
DOE OSTI2021

Multidimensional Numerical Modeling of Combustion Dynamics in a Non-Premixed Rotating Detonation Engine With Adaptive Mesh Refinement

In the present work, a novel computational fluid dynamics (CFD) methodology was developed to simulate full-scale non-premixed rotating detonation engines (RDEs). A unique feature of the modeling approach was the incorporation of adaptive mesh refinement (AMR) to achieve a good trade-off between model accuracy and computational expense. Here, unsteady Reynolds-averaged Navier–Stokes (RANS) simulations were performed for an Air Force Research Laboratory (AFRL) non-premixed RDE configuration with hydrogen as fuel and air as the oxidizer. The finite-rate chemistry model, along with a ten-species detailed kinetic mechanism, was employed to describe the H 2 -Air combustion chemistry. Three distinct operating conditions were simulated, corresponding to the same global equivalence ratio of unity but different fuel/air mass flowrates. For all conditions, the capability of the model to capture essential detonation wave dynamics was assessed. An exhaustive verification and validation study was performed against experimental data in terms of a number of waves, wave frequency, wave height, reactant fill height, oblique shock angle, axial pressure distribution in the channel, and fuel/air plenum pressure. The CFD model was demonstrated to accurately predict the sensitivity of these wave characteristics to the operating conditions, both qualitatively and quantitatively. A comprehensive heat release analysis was also conducted to quantify detonative versus deflagrative burning for the three simulated cases. The present CFD model offers a potential capability to perform rapid design space exploration and/or performance optimization studies for realistic full-scale RDE configurations.

42 ENGINEERING↗
DOE OSTI2022

User Manual for MC 2 -3 Gamma Library Generation

This report provides the documentation for the revised procedure to generate the MC 2 -3 gamma library with the latest versions of PreGAMMA and GenGAMMA which have recently been updated to fix the program errors and inconsistent data processing for some isotopes identified in a recent verification and validation study of the MC 2 -3 gamma library. A few associated errors associated with gamma processing were also identified and fixed in the MC 2 -3 code. Addressing the changes in MC 2 -3, the procedure to generate the PMATRX and GAMISO datasets is discussed as well. The input data of PreGAMMA and GenGAMMA are discussed in detail using sample input data. In addition, the structure and formats of the MC 2 -3 gamma library are provided in detail.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Turbulence Modeling with Nek5000/RS, SOD2D and Alya

We present Validation and Verification (V & V) study of two high-order spectral element method (SEM) based Computational Fluid Dyanimcs (CFD) codes that we will utilize for work on turbulence modeling: Nek5000 and SOD2D. While the former solves the incompressible form of Navier-Stokes equation, the latter works with compressible set of equations and uses an entropy-viscosity formulation to account for the discontinuities for high Mach number flows. We demonstrate the accuracy of these codes for two benchmark sub-sonic turbulent flows: periodic channel and pipe flow, by carrying out first and second order statistical analysis, grid convergence and turbulent structure analysis using wall-resolved large eddy simulations (WRLES). Later, we report on the implementation and testing of various wall-modeling strategies for large eddy simulation of turbulent flows in Nek5000. These include both classical log-law based and decision-tree based machine-learning models. Accuracy of these closure strategies are analyzed and necessary future work is outlined.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

ACRRF High-Bay Dose Calculations using MCNP (Part A)

Analytical tools and models have been developed as a starting point for directly assessing dose in the Annular Core Research Reactor Facility (ACRRF) due to reactor operation. Key results include peak dose along the Central Cavity (CC) centerline (beamline) at the cavity level, dose throughout the High-Bay (HB), and dose on the facility roof for partially-shielded reactor operation where the 4” insert is removed from the CC Shield Plug (SP). Model results in the beamline are benchmarked against measured doses from passive dosimetry evaluations. Personnel total (neutron and gamma) dose in the ACRRF HB is calculated using Monte Carlo N-Particle (MCNP). Various CC and SP configurations are analyzed, including unshielded (no SP) and partially shielded (SP installed but 4” insert removed). Novel application of Variance Reduction (VR) techniques, namely the Surface Source Write (SSW) and Surface Source Read (SSR) capabilities in MCNP, enable impressive resolution (in a Monte Carlo modeling sense) of dose throughout much the facility. The VR techniques reduce stochastic error for challenging tallies, with more advanced techniques explored in the companion to this report (Part B) [1]. Supplementary studies (including a verification analysis) and pedagogic evaluations in Part B involve neutron spectra, angular distributions, and the dose impact of facility characteristics. With the SP 4” insert removed and the Lead-Boron (44”) Bucket (LB–44) in the reactor cavity, Total Effective Dose (TED) within the CC beamline is ≈140 rem per 300 MJ of reactor yield (or 3900 rem per hour at 100% Steady-State (SS) power). With no SP (unshielded) and a Free-Field (FF) cavity, TED within the beamline is ≈610 rem per 300 MJ (or 17000 rem per hour at 100% SS power). Due to the predicted collimation of radiation by the reactor pool (and partial SP, if present), beamline dose is much greater than the scattered radiation field surrounding the cavity and reactor tank. Comparisons are made to beamline dosimetry measurements to validate the model. Model predictions agree reasonably well (⪅10%) with measured quantities of neutron fluence, gamma fluence, and spectral metrics. Away from the beamline, comparisons made to previous dose measurements in the HB agreement within an order of magnitude.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2022

OC6 Phase Ia: CFD Simulations of the Free-Decay Motion of the DeepCwind Semisubmersible

Currently, the design of floating offshore wind systems is primarily based on mid-fidelity models with empirical drag forces. The tuning of the model coefficients requires data from either experiments or high-fidelity simulations. As part of the OC6 (Offshore Code Comparison Collaboration, Continued, with Correlation, and unCertainty (OC6) is a project under the International Energy Agency Wind Task 30 framework) project, the present investigation explores the latter option. A verification and validation study of computational fluid dynamics (CFD) models of the DeepCwind semisubmersible undergoing free-decay motion is performed. Several institutions provided CFD results for validation against the OC6 experimental campaign. The objective is to evaluate whether the CFD setups of the participants can provide valid estimates of the hydrodynamic damping coefficients needed by mid-fidelity models. The linear and quadratic damping coefficients and the equivalent damping ratio are chosen as metrics for validation. Large numerical uncertainties are estimated for the linear and quadratic damping coefficients; however, the equivalent damping ratios are more consistently predicted with lower uncertainty. Some difference is observed between the experimental and CFD surge-decay motion, which is caused by mechanical damping not considered in the simulations that likely originated from the mooring setup, including a Coulomb-friction-type force. Overall, the simulations and the experiment show reasonable agreement, thus demonstrating the feasibility of using CFD simulations to tune mid-fidelity models.

17 WIND ENERGY↗
DOE OSTI2023

Rate of Para-Orthohydrogen Conversion in Cryogenic Vortex Tube

Raising efficiency of the cooling process for cryogenic hydrogen and minimizing hydrogen boil-off during storage and transportation of liquid hydrogen are critically important factors for widening implementation of hydrogen-based clean energy systems. One novel approach involves utilization of relatively simple catalyzed vortex tubes, where hydrogen in the primarily para- nuclear spin isomer form is converted into the ortho- form while consuming a significant amount of heat. To design such systems effectively, better understanding is required about catalyst-assisted para-orthohydrogen conversion rates in high-speed vortical flows. In this study, a computational fluid dynamics simulation has been set up to model an experimental system with cryogenic hydrogen vortex tubes. Mesh-verification and a validation study has been conducted first for a non-catalyzed tube. Then, the rate coefficient of the para-orthohydrogen conversion of cryogenic hydrogen has been determined by matching numerical results with experimental data available for a catalyzed vortex tube. Furthermore, the presented information can help design and optimize cryogenic hydrogen cooling within vortex tubes.

08 HYDROGEN↗
DOE OSTI2023

Verification of a Modeling Toolkit for the Design of Building Electrical Distribution Systems

DC electrical distribution systems offer many potential advantages over their AC counterparts. They can facilitate easier integration with distributed energy resources, improve system energy efficiency by eliminating AC/DC converters at end-use devices (e.g., laptop chargers), and reduce installation material, time, and cost. However, DC electrical distribution systems present additional design considerations, largely resulting from potentially greater magnitude and variation in cable losses. Modeling and simulation are rarely used to design such systems. However, the greater dependency of DC system energy efficiency on design choices such as distribution voltages, architecture, and integration of PV and BESS suggests that modeling and simulation may be required. Such system performance analysis is currently not a standard practice, in part due to limited availability and validation of capable software tools. This paper characterizes the accuracy of a Modelica-based Building Electrical Efficiency Analysis Model (BEEAM) toolkit, as a precursor for validating its use to perform system performance analysis and inform design decisions. The study builds upon previous verification research by characterizing complete systems comprised of commercially available equipment, and providing a more detailed analysis of simulation results. Five lighting systems with varying electrical distribution architectures were designed using market-available equipment, installed in a laboratory environment, modeled using BEEAM, and simulated using three Modelica integrated development environments (IDEs). Simulated and measured results were compared to characterize toolkit accuracy. Initial results revealed that simulated performance was mostly within ±5% of measured system-level and device-level performance. While simulation results were not found to be dependent on the IDE, some Modelica compiler interoperability issues were identified. Although the BEEAM toolkit showed promise for the targeted use case, further work is needed to determine whether the demonstrated 5% accuracy is sufficient for making real-world design decisions, and for BEEAM to advance from an interesting research tool to one that can impact real-world building projects.

24 POWER TRANSMISSION AND DISTRIBUTION↗