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At least 91 records · Page 5

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DOE OSTI2015

Ductile Tearing of Thin Aluminum Plates Under Blast Loading: Predictions with Fully Coupled Models and Biaxial Material Response Characterization

The work presented in this report concerns the response and failure of thin 2024- T3 aluminum alloy circular plates to a blast load produced by the detonation of a nearby spherical charge. The plates were fully clamped around the circumference and the explosive charge was located centrally with respect to the plate. The principal objective was to conduct a numerical model validation study by comparing the results of predictions to experimental measurements of plate deformation and failure for charges with masses in the vicinity of the threshold between no tearing and tearing of the plates. Stereo digital image correlation data was acquired for all tests to measure the deflection and strains in the plates. The size of the virtual strain gage in the measurements, however, was relatively large, so the strain measurements have to be interpreted accordingly as lower bounds of the actual strains in the plate and of the severity of the strain gradients. A fully coupled interaction model between the blast and the deflection of the structure was considered. The results of the validation exercise indicated that the model predicted the deflection of the plates reasonably accurately as well as the distribution of strain on the plate. The estimation of the threshold charge based on a critical value of equivalent plastic strain measured in a bulge test, however, was not accurate. This in spite of efforts to determine the failure strain of the aluminum sheet under biaxial stress conditions. Further work is needed to be able to predict plate tearing with some degree of confidence. Given the current technology, at least one test under the actual blast conditions where the plate tears is needed to calibrate the value of equivalent plastic strain when failure occurs in the numerical model. Once that has been determined, the question of the explosive mass value at the threshold could be addressed with more confidence.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Interface learning in fluid dynamics: Statistical inference of closures within micro–macro-coupling models

Many complex multiphysics systems in fluid dynamics involve using solvers with varied levels of approximations in different regions of the computational domain to resolve multiple spatiotemporal scales present in the flow. The accuracy of the solution is governed by how the information is exchanged between these solvers at the interface and several methods have been devised for such coupling problems. In this article, we construct a data-driven model by spatially coupling a microscale lattice Boltzmann method (LBM) solver and macroscale finite difference method (FDM) solver for reaction-diffusion systems. The coupling between the micro-macro solvers has one to many mapping at the interface leading to the interface closure problem, and we propose a statistical inference method based on neural networks to learn this closure relation. The performance of the proposed framework in a bifidelity setting partitioned between the FDM and LBM domain shows its promise for complex systems where analytical relations between micro-macro solvers are not available.

42 ENGINEERING↗

DOE OSTI2025

High fidelity multiphysics tightly coupled model for a lead cooled fast reactor concept and application to statistical calculation of hot channel factors

A tightly coupled multiphysics code system is established using the MOOSE framework for hot channel factor (HCF) evaluation on a Lead Fast Reactor (LFR) concept. The coupled system is driven by the Griffin multiphysics coupling capability under which the MOOSE Heat Transfer module and NekRS computational fluid dynamics solver are coupled for conjugate heat transfer using the Cardinal application. The coupled capability is demonstrated on an LFR assembly model based on materials and geometry of a prototypical lead-cooled fast reactor design by Westinghouse Electric Company, LLC. Moreover, the work integrates the Multiphysics Object Oriented Simulation Environment (MOOSE) Stochastic Tools Module (STM) to perform calculations for statistical analysis of HCF. Furthermore, the coupling strategy and workflow demonstrated in this paper is not only useful for predicting accurate hot channel factors for different kinds of advanced reactors but also for other engineering applications such as control rod worth assessment, generation of high-fidelity database for Artificial intelligence (AI)/machine learning (ML) training, design optimization and multi-resolution modeling.

Cardinal↗

DOE OSTI2015

Development of the global sea ice 6.0 CICE configuration for the Met Office global coupled model

The new sea ice configuration GSI6.0, used in the Met Office global coupled configuration GC2.0, is described and the sea ice extent, thickness and volume are compared with the previous configuration and with observationally based data sets. In the Arctic, the sea ice is thicker in all seasons than in the previous configuration, and there is now better agreement of the modelled concentration and extent with the HadISST data set. As a result, in the Antarctic, a warm bias in the ocean model has been exacerbated at the higher resolution of GC2.0, leading to a large reduction in ice extent and volume; further work is required to rectify this in future configurations.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2015

Development of global sea ice 6.0 CICE configuration for the Met Office global coupled model

The new sea ice configuration GSI6.0, used in the Met Office global coupled configuration GC2.0, is described and the sea ice extent, thickness and volume are compared with the previous configuration and with observationally-based datasets. In the Arctic, the sea ice is thicker in all seasons than in the previous configuration, and there is now better agreement of the modelled concentration and extent with the HadISST dataset. In the Antarctic, a warm bias in the ocean model has been exacerbated at the higher resolution of GC2.0, leading to a large reduction in ice extent and volume; further work is required to rectify this in future configurations.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Model Coupling Through Learned Representations

Reliable climate predictions are important for making robust decisions in response to the changing climate. This project aims to reduce mis-modeling uncertainties arising from the representation of the land-atmosphere coupling in the Energy Exascale Earth System Model (E3SM) by using a machine learning approach. This approach will use an encoder-decoder architecture to represent the information that is developed in the land model and given to the atmosphere model. The simulated data will be taken from the E3SM simulation. However, the incorporation of observed data into the simulated dataset reduces mis-modeling uncertainties.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2019

The DOE E3SM Coupled Model Version 1: Description and Results at High Resolution

This study provides an overview of the coupled high-resolution Version 1 of the Energy Exascale Earth System Model (E3SMv1) and documents the characteristics of a 50-year-long high-resolution control simulation with time-invariant 1950 forcings following the HighResMIP protocol. In terms of global root-mean-squared error metrics, this high-resolution simulation is generally superior to results from the low-resolution configuration of E3SMv1 (due to resolution, tuning changes, and possibly initialization procedure) and compares favorably to models in the CMIP5 ensemble. Ocean and sea ice simulation is particularly improved, due to better resolution of bathymetry, the ability to capture more variability and extremes in winds and currents, and the ability to resolve mesoscale ocean eddies. The largest improvement in this regard is an ice-free Labrador Sea, which is a major problem at low resolution. Interestingly, several features found to improve with resolution in previous studies are insensitive to resolution or even degrade in E3SMv1. Most notable in this regard are warm bias and associated stratocumulus deficiency in eastern subtropical oceans and lack of improvement in El Niño. Another major finding of this study is that resolution increase had negligible impact on climate sensitivity (measured by net feedback determined through uniform +4K prescribed sea surface temperature increase) and aerosol sensitivity. Cloud response to resolution increase consisted of very minor decrease at all levels. Large-scale patterns of precipitation bias were also relatively unaffected by grid spacing.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Release on the Virtual Test Bed of a Molten Salt Reactor Experiment SAM-Pronghorn Coupled Model using the Domain Overlapping Approach

The nuclear industry is taking leaps in innovations with companies seeking a sustainable energy future through advanced nuclear reactors. The Department of Energy (DOE)’s Nuclear Energy Advanced Modeling and Simulation (NEAMS) program seeks to substantiate and bolster the deployment of advanced reactors through flexible multifidelity, multiphysics simulations of advanced nuclear reactors. Applications like SAM for one-dimensional systems thermalhydraulics, and Pronghorn for multidimensional coarse mesh thermal-hydraulics, are geared to support innovations in industry by facilitating design, optimization, and licensing of advanced nuclear reactors. Coupling systems thermal-hydraulics and computational fluid dynamics codes can be difficult as the pressure coupling converges slowly; however, it is important to obtain the desired accuracy in each part of the primary loop. The authors of this model created an Overlapping-Domain Coupling (ODC) approach to coupling SAM and Pronghorn. Leveraging this coupling technique, a Molten Salt Reactor Experiment (MSRE) model was developed and released to the NEAMS/National Reactor Innovation Center (NRIC) Virtual Test Bed (VTB). The MSRE was chosen to be modeled because of the wealth of experimental data available and because of the strong physics coupling between the core and primary circuit. This paper contextualizes the history of the MSRE, describes the thermal hydraulics models used, and detail the implementation of multidimensional thermal-hydraulics and system codes based on the ODC method for the MSRE model. Finally, this paper presents how other modelers could apply the SAM Pronghorn ODC for other advanced reactor models.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2024

Uncertainty quantification of material parameters in modeling coupled metal and high explosive experiments

Experiments involving the coupling of metal and high explosives (HE) are of notable defense-related interest, and we seek to refine the uncertainty quantification associated with models of such experiments. In particular, our focus is on how uncertainty related to the metal constitutive model challenges our ability to infer high explosive model parameters when analyzing focused science experiments. We consider three focused experiments involving an HE accelerating metal: small plate tests with tantalum/LX-14 and tantalum/LX-17 pairings as well as a tantalum/LX-17 cylinder test. For all three models, we perform sensitivity analysis to ascertain the influence of metal strength on the coupled experimental response. Moreover, we calibrate each model in a Bayesian setting and study the quantification of metal strength on the inference of the HE parameters. Based on our results, we offer guidance for future metal/HE experiments.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Approximate DFT-based methods for generating diabatic states and calculating electronic couplings: models of two and more states

Four types of density functional theory (DFT)-based approaches are assessed in this work for the approximate construction of diabatic states and the evaluation of electronic couplings between these states. These approaches include the constrained DFT (CDFT) method, the constrained noninteracting electron (CNE) model to post-process Kohn–Sham operators, the approximate block-diagonalization (BD) of the Kohn–Sham operators, and the generalized Mulliken–Hush method. It is shown that the first three approaches provide a good description for long-distance intermolecular electron transfer (ET) reactions. On the other hand, inconsistent results were found when applying these approaches to intramolecular ET in strongly coupled, mixed-valence systems. Model analysis shows that this discrepancy is caused by the inappropriate use of the two-state model rather than the defects of the approaches themselves. The situation is much improved when more states are included in the model electronic Hamiltonian. The CNE and BD approaches can thus serve as efficient and robust alternatives for building ET models based on DFT calculations.

Yang, Chou-Hsun↗

DOE OSTI2023

Observationally driven Resource Assessment with CoupLEd models (ORACLE)

This project seeks to carry out a multifaceted analysis combining buoy observations, machine learning, turbulence, satellite data and high-resolution modeling. Our analyses will investigate air–sea interaction physics governing the variation of the winds with height and influence of clouds, uncertainty in coupled ocean-wave-atmosphere mesoscale models to capture certain key atmospheric phenomenon observed over the U.S. West Coast, impact of climate change, and the fidelity with which resource characterization models describe the range of observed offshore wind conditions. This project will focus its efforts on characterizing and assessing the atmospheric and oceanographic conditions along the U.S. West Coast.

Wind, Energy↗

DOE OSTI2016

Coupled modeling of a directly heated tubular solar receiver for supercritical carbon dioxide Brayton cycle: Optical and thermal-fluid evaluation

In single phase performance and appealing thermo-physical properties supercritical carbon dioxide (s-CO 2 ) make a good heat transfer fluid candidate for concentrating solar power (CSP) technologies. The development of a solar receiver capable of delivering s-CO 2 at outlet temperatures ~973 K is required in order to merge CSP and s-CO 2 Brayton cycle technologies. A coupled optical and thermal-fluid modeling effort for a tubular receiver is undertaken to evaluate the direct tubular s-CO 2 receiver’s thermal performance when exposed to a concentrated solar power input of ~0.3–0.5 MW. Ray tracing, using SolTrace, is performed to determine the heat flux profiles on the receiver and computational fluid dynamics (CFD) determines the thermal performance of the receiver under the specified heating conditions. Moreover, an in-house MATLAB code is developed to couple SolTrace and ANSYS Fluent. CFD modeling is performed using ANSYS Fluent to predict the thermal performance of the receiver by evaluating radiation and convection heat loss mechanisms. Understanding the effects of variation in heliostat aiming strategy and flow configurations on the thermal performance of the receiver was achieved through parametric analyses. Finally, a receiver thermal efficiency ~85% was predicted and the surface temperatures were observed to be within the allowable limit for the materials under consideration.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2018

THM-Coupled Modeling of Barrier Integrity for HLW Disposal in Bedded Salt - 18289

Within the framework of the R and D project KOSINA in Germany, numerical studies analyzing the long-term integrity of a bedded salt barrier under the thermal loading of heat generating radioactive waste have been performed using different modeling approaches for various repository concepts and two geological structures. The THM-coupled calculations show an initially steep increase of temperatures in the vicinity of the HLW canisters which reduces an uplift above the repository. This in turn leads to a temporally and spatially limited reduction of horizontal stresses at the top of the salt, allowing for pressure-driven percolation of groundwater into the upper part of the hydraulic barrier. However, at any given time an undisturbed salt barrier of over 300 m remains, shielding the repository from groundwater inflow. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2024

A Thermo‐Flow‐Mechanics‐Fracture Model Coupling a Phase‐Field Interface Approach and Thermo‐Fluid‐Structure Interaction

This work proposes a novel approach for coupling non-isothermal fluid dynamics with fracture mechanics to capture thermal effects within fluid-filled fractures accurately. This method addresses critical aspects of calculating fracture width in enhanced geothermal systems, where the temperature effects of fractures are crucial. The proposed algorithm features an iterative coupling between an interface-capturing phase-field fracture method and interface-tracking thermo-fluid-structure interaction using arbitrary Lagrangian–Eulerian coordinates. We use a phase-field approach to represent fractures and reconstruct the geometry to frame a thermo-fluid-structure interaction problem, resulting in pressure and temperature fields that drive fracture propagation. We developed a novel phase-field interface model accounting for thermal effects, enabling the coupling of quantities specific to the fluid-filled fracture with the phase-field model through the interface between the fracture and the intact solid domain. We provide several numerical examples to demonstrate the capabilities of the proposed algorithm. In particular, we analyze mesh convergence of our phase-field interface model, investigate the effects of temperature on crack width and volume in a static regime, and highlight the method's potential for modeling slowly propagating fractures.

fracture↗

DOE OSTI2014

Modeling coupled sorption and transformation of 17β-estradiol–17-sulfate in soil–water systems

Animal manure is the primary source of exogenous free estrogens in the environment, which are known endocrine-disrupting chemicals to disorder the reproduction system of organisms. Conjugated estrogens can act as precursors to free estrogens, which may increase the total estrogenicity in the environment. In this study, a comprehensive model was used to simultaneously simulate the coupled sorption and transformation of a sulfate estrogen conjugate, 17 beta-estradiol-17-sulfate (E2-17S), in various soil-water systems (non-sterile/sterile; topsoil/subsoil). The simulated processes included multiple transformation pathways (i.e. hydroxylation, hydrolysis, and oxidation) and mass transfer between the aqueous, reversibly sorbed, and irreversibly sorbed phases of all soils for E2-17S and its metabolites. The conceptual model was conceived based on a series of linear sorption and first-order transformation expressions. The model was inversely solved Using finite difference to estimate process parameters. A global optimization method was applied for the inverse analysis along with variable model restrictions to estimate 36 parameters. The model provided a satisfactory simultaneous fit (R-adj(2) = 0.93 and d = 0.87) of all the experimental data and reliable parameter estimates. This modeling study improved the understanding on fate and transport of estrogen conjugates under various soil-water conditions.

17β-Estradiol–17-sulfate↗

DOE OSTI2018

An updated Lagrangian LBM–DEM–FEM coupling model for dual-permeability fissured porous media with embedded discontinuities

Many engineering applications and geological processes involve embedded discontinuities in porous media across multiple length scales (e.g. rock joints, grain boundaries, deformation bands and faults). Understanding the multiscale path-dependent hydro-mechanical responses of these interfaces across length scales is of ultimate importance for applications such as CO 2 sequestration, hydraulic fracture and earthquake rupture dynamics. While there exist mathematical frameworks such as extended finite element and assumed strain to replicate the kinematics of the interfaces, modeling the cyclic hydro-mechanical constitutive responses of the interfaces remains a difficult task. Here this paper presents a semi-data-driven multiscale approach that obtains both the traction-separation law and the aperture-porosity–permeability relation from micro-mechanical simulations performed on representative elementary volumes in the finite deformation range. To speed up multiscale simulations, the incremental constitutive updates of the mechanical responses are obtained from discrete element simulations at the representative elementary volume whereas the hydraulic responses are generated from a neural network trained with data from lattice Boltzmann simulations. These responses are then linked to a macroscopic dual-permeability model. This approach allows one to bypass the need of deriving multi-physical phenomenological laws for complex loading paths. More importantly, it enables the capturing of the evolving anisotropy of the permeabilities of the macro- and micro-pores. A set of numerical experiments are used to demonstrate the robustness of the proposed model.

42 ENGINEERING↗

DOE OSTI2023

Revisiting the empirical particle-fluid coupling model used in DEM-CFD by high-resolution DEM-LBM-IMB simulations: A 2D perspective

The work investigates the applicability of the unresolved Computational Fluid Dynamics and Discrete Element Method (CFDDEM) technique based on empirical equations for fluid-particle coupling. We first carry out a series of representative volume element simulations using the high-resolution particle-resolved Lattice Boltzmann method and Discrete Element Method (LBMDEM) coupled by an Immersed Moving Boundary (IMB) scheme. Then, we compare the results obtained by both LBMDEM and empirical equations used in unresolved CFDDEM with analytical solutions. It is found that the existing empirical equations used in solving fluid-particle interactions in 2D CFDDEM fail to accurately calculate the hydrodynamic force applied to solid particles. The underlying reason is that the existing empirical models are obtained based on 3D experimental results and thus are not applicable to 2D problems. Based on the simulation results, a new drag coefficient model is then proposed. The estimated drag forces using the new model are compared favourably with the simulated ones, indicating the good performance of the proposed model.

42 ENGINEERING↗

DOE OSTI2016

Coupled modeling of a directly heated tubular solar receiver for supercritical carbon dioxide Brayton cycle: Structural and creep-fatigue evaluation

A supercritical carbon dioxide (sCO 2 ) Brayton cycle is an emerging high energy-density cycle undergoing extensive research due to the appealing thermo-physical properties of sCO 2 and single phase operation. Development of a solar receiver capable of delivering sCO 2 at 20 MPa and 700 °C is required for implementation of the high efficiency (~50%) solar powered sCO 2 Brayton cycle. In this work, extensive candidate materials are review along with tube size optimization using the ASME Boiler and Pressure Vessel Code. Moreover, temperature and pressure distribution obtained from the thermal-fluid modeling (presented in a complementary publication) are used to evaluate the thermal and mechanical stresses along with detailed creep-fatigue analysis of the tubes. For resulting body stresses were used to approximate the lifetime performance of the receiver tubes. A cyclic loading analysis is performed by coupling the Strain-Life approach and the Larson-Miller creep model. The structural integrity of the receiver was examined and it was found that the stresses can be withstood by specific tubes, determined by a parametric geometric analysis. The creep-fatigue analysis display the damage accumulation due to cycling and the permanent deformation on the tubes showed that the tubes can operate for the full lifetime of the receiver.

54 ENVIRONMENTAL SCIENCES↗