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DOE OSTI2026

Enabling the Broader Use of MOOSE for Nuclear Energy and Other Simulation

This Final Scientific and Technical Report summarizes work performed under the Phase IIA SBIR project “Enabling the Broader Use of MOOSE for Nuclear Energy and Other Simulation” (DE-SC0020906) from August 2023 through August 2025. The objective of the Phase IIA effort was to mature and harden capabilities developed during Phase II, with the goal of enabling practical interoperability between Coreform’s isogeometric analysis (IGA) technologies and the Multiphysics Object-Oriented Simulation Environment (MOOSE), while improving robustness, performance, and scalability for complex, nuclear-relevant geometries. Over the course of Phase IIA, the project established and validated an extraction-based interoperability pathway between Coreform tools and MOOSE. A combined mesh and matrix format was defined collaboratively with MOOSE developers and integrated into the solver, enabling standard MOOSE workflows to operate on data exported from Coreform’s IGA and Flex Representation Method (FRM) pipelines. Early demonstrations validated architectural compatibility using linear solid mechanics problems, while later efforts focused on benchmark testing and external use. By the end of the project period, engineers at BWXT were able to independently set up and execute a simulation using the Coreform–MOOSE workflow and provide direct feedback that informed further refinement. In parallel, substantial effort was devoted to improving the robustness of trimmed U-spline construction for complex CAD geometries. A growing test suite of nuclear-relevant models was compiled through collaboration with multiple stakeholders and used to drive extensive bug fixing and reliability improvements. These efforts resulted in improved robustness and performance, including the addition of fallback capabilities that enhance reliability when the underlying commercial CAD kernel fails. Performance-oriented work progressed later in the project, with the development and demonstration of methods to decompose complex geometries into structured subregions and updated data representations to support more efficient solver processing. Additionally, extensive enhancements to threadsafe parallel data structures and trimming operations established a foundation for scalable processing of large assemblies. Collaboration with Sandia National Laboratories on the SGM geometric modeling kernel advanced to a functioning interface test case, positioning the workflow for future kernel integration. Overall, the Phase IIA effort successfully transitioned the project from architectural proof-of-concept to externally exercised, solver-integrated capability, while clarifying remaining technical challenges related to standardization, performance optimization, and kernel integration.

42 ENGINEERING↗

DOE OSTI2025

Orbit-averaging and deposition accuracy for runaway electron beams in hybrid kinetic-MHD simulations of the runaway plateau

We develop a new procedure that combines the kinetic orbit runaway electron code (KORC) and the NIMROD extended-magnetohydrodynamic code to simulate runaway electrons (REs) in the post-disruption plateau. KORC integrates guiding-center orbits, with a barycentric-based binary search strategy providing initial guesses for the Newton–Raphson logical-to-physical coordinate inversion, ensuring reliable particle-to-mesh mapping in NIMROD, whose fields remain static for the present study. Samples are drawn in accord with experimental parallel current profiles of RE beams during the plateau phase. Deposition in NIMROD is verified through comparison with a Python-based finite-element code that ensures periodicity in the poloidal direction and continuity at the magnetic axis. Accurate representation of near-axis fields requires finer mesh resolution to prevent under- and overshoots in current density from orbit inaccuracies. Yet, at a fixed particle count, increasing mesh resolution amplifies statistical noise in the deposited fields. An orbit-averaging method accumulates partial current deposits over multiple kinetic steps and reduces the statistical noise with little added computational cost. By coupling kinetic routines from KORC directly into the NIMROD codebase, these developments lay essential groundwork for future self-consistent KORC–NIMROD coupling.

Algorithms and data structure↗

NASA NTRS2015

Visualization and Quantification of Rotor Tip Vortices in Helicopter Flows

Helicopter aeromechanics encompasses a highly vortical flow field. The vortices generated at each blade tip contain unsteady, complex, three-dimensional structures, which interact with each other, other blades, the fuselage and various components of the helicopter. It is crucial to understand vortex kinematics and their subsequent dynamic evolution. Much research has been devoted to the understanding of helicopter vortex dynamics, including a number of experimental studies.1-6 In May 2010 Particle Image Velocimetry (PIV) measurements of a full-scale UH-60A rotor were acquired in the National Full-Scale Aerodynamics Complex (NFAC) 40- by 80-Foot Wind Tunnel.1 These measurements were taken at a plane just downstream of the advancing blade in the vicinity of the blade tip—the so-called PIV plane. The resulting PIV data were then processed using an ensemble-average approach to create graphical representations of the vortical wake velocity and vorticity fields, which, in turn, have enhanced the understanding of rotorcraft vortical wake flow field physics and have provided a more detailed validation of vortical wake computer simulations.7 A common approach used to analyze flow field features is to compute and plot color contour maps of various scalar quantities such as pressure, velocity magnitude and vorticity magnitude. For example, the color map of the vorticity magnitude is typically used to determine vortical flow structure. With this approach the vortex core may appear larger or smaller, depending on the contour levels that are selected. Thus, the resulting visualization is sensitive to user-specified contour levels. For vortex core radius measurements, it is more accurate to calculate the vortex core radius using the cross-flow velocity profile across the vortex core. The task of extracting the cross-flow velocity profile can be time consuming with existing tools since the user needs to manually select the core center then specify sampling points along the profile axis. The task becomes even more challenging when the associated grid system uses AMR (Adaptive Mesh Refinement) where the profile axis could span multiple grid blocks. There are a number of existing techniques for profiling of vortex core attributes;8-9 however, these techniques are not fully automatic in that the user still needs to select the vortex core center to compute the cross-flow velocity profile. The present study introduces a new color map scheme that is based on the vortex core radius, which is fully automatic and does not require user intervention. Analysis and visualization of blade tip vortices on the PIV plane using the proposed new color map scheme are described in Section II. The new approach is evaluated using two case studies, which are described in Section III. The paper ends with a summary in Section IV.

Quantification↗

DOE OSTI2023

The Thermal Plumbing System of Stromboli Volcano, Aeolian Islands (Italy) Inferred From Electrical Conductivity and Induced Polarization Tomography

Abstract We performed the first 3D island‐scale tomography of the electrical conductivity of Stromboli volcano (Aeolian Islands, Italy) using 2D acquisition lines (37.2 km) and a total of 18,880 measurements and 2,402 unique electrode locations. This 3D data set was inverted using a Gauss‐Newton algorithm, parallel‐processing on an unstructured tetrahedral mesh containing 678,420 finite‐element nodes and 3,580,145 elements to account for the topography of the volcanic island. The tomogram exhibits a conductive body (10 −2 –1.0 S m −1 ) consistent with the location of CO 2 and temperature anomalies observed at the ground surface. It corresponds to the hydrothermal system with high electrical conductivity associated with alteration. In order to confirm this interpretation, a 2.5D large‐scale induced polarization tomography was performed crossing the volcano. The joint interpretation of the conductivity and normalized chargeability is done with a petrophysical model previously tested and verified at both shield‐ and strato‐volcanoes. This model implies that alteration (through the effect of the cation exchange capacity associated with clay minerals and zeolites) plays a strong role in both controlling the electrical conductivity and normalized chargeability at Stromboli volcano. A temperature tomogram, derived from the geoelectrical measurements, is consistent with surface temperature anomalies and the Very Long Period (VLP) seismicity related to the mild‐explosive activity. This survey displays at 600 m a.s.l. a lateral shift in the highest temperature location, also corresponding to the source of VLP seismicity. Structural boundaries have a major role in the hottest hydrothermal fluids rising below the active crater terrace of Stromboli volcano.

58 GEOSCIENCES↗

NASA NTRSDate not supplied

Proof Testing Aluminum and Titanium Thin-Walled Tubes for Aerospace Applications

Proof testing aerospace components aids in verifying the structural integrity of flight hardware. This process is often an important step in the certification process for critical parts. Though proof testing is a common practice at NASA and in industry, there is often a need to understand better the effectiveness of proof testing pressure systems discovering cracklike flaws or defects. Often proof tests are used in requirements and in practice as technical rationale for screening critical defects in a part in lieu of performing a non-destructive inspection. The intent of this work is to define proof test failure envelopes for thin-walled tubes composed of two materials: aluminum and titanium. Both materials are common in aerospace thin-walled tubing applications which is why these were the materials chosen for this study. The fracture mechanics software NASGRO was used to perform a parametric study on the effect of defects in thin-walled tubes subjected to proof testing. For both materials, the parameters varied in the NASGRO analyses were aspect ratio, proof test pressure, thickness, diameter, and flaw multiplier. With each case defined as a through crack or failure, the results were then pulled into MATLAB in order to parse through the data and produce failure envelope plots. Failure envelopes were created by meshing a surface in between the minimum proof pressure failing data points. As expected, based on material properties, the plots indicated the aluminum material would fail at much lower proof tests than the titanium. The parametric data and failure envelopes may be used as general qualitative insight on the effectiveness of proof testing thin-walled tubes of similar alloys.

Leah B Davis↗

NASA NTRS1995

Large HAWT wake measurement and analysis

From the theoretical fluid dynamics point of view, the wake region of a large horizontal-axis wind turbine has been defined and described, and numerical models of wake behavior have been developed. Wind tunnel studies of single turbine wakes and turbine array wakes have been used to verify the theory and further refine the numerical models. However, the effects of scaling, rotor solidity, and topography on wake behavior are questions that remain unanswered. In the wind tunnel studies, turbines were represented by anything from scaled models to tea strainers or wire mesh disks whose solidity was equivalent to that of a typical wind turbine. The scale factor compensation for the difference in Reynolds number between the scale model and an actual turbine is complex, and not typically accounted for. Though it is wise to study the simpler case of wakes in flat topography, which can be easily duplicated in the wind tunnel, current indications are that wind turbine farm development is actually occurring in somewhat more complex terrain. Empirical wake studies using large horizontal-axis wind turbines have not been thoroughly composited, and, therefore, the results have not been applied to the well-developed theory of wake structure. The measurement programs have made use of both in situ sensor systems, such as instrumented towers, and remote sensors, such as kites and tethered, balloonborne anemometers. We present a concise overview of the work that has been performed, including our own, which is based on the philosophy that the MOD-2 turbines are probably their own best detector of both the momentum deficit and the induced turbulence effect downwind. Only the momentum deficit aspects of the wake/machine interactions have been addressed. Both turbine power output deficits and wind energy deficits as measured by the onsite meteorological towers have been analyzed from a composite data set. The analysis has also evidenced certain topographic influences on the operation of spatially diverse wind turbines.

Miller, A. H.↗

NASA NTRS1995

Navier-Stokes Aerodynamic Simulation of the V-22 Osprey on the Intel Paragon MPP

The paper will describe the Development of a general three-dimensional multiple grid zone Navier-Stokes flowfield simulation program (ENS3D-MPP) designed for efficient execution on the Intel Paragon Massively Parallel Processor (MPP) supercomputer, and the subsequent application of this method to the prediction of the viscous flowfield about the V-22 Osprey tiltrotor vehicle. The flowfield simulation code solves the thin Layer or full Navier-Stoke's equation - for viscous flow modeling, or the Euler equations for inviscid flow modeling on a structured multi-zone mesh. In the present paper only viscous simulations will be shown. The governing difference equations are solved using a time marching implicit approximate factorization method with either TVD upwind or central differencing used for the convective terms and central differencing used for the viscous diffusion terms. Steady state or Lime accurate solutions can be calculated. The present paper will focus on steady state applications, although time accurate solution analysis is the ultimate goal of this effort. Laminar viscosity is calculated using Sutherland's law and the Baldwin-Lomax two layer algebraic turbulence model is used to compute the eddy viscosity. The Simulation method uses an arbitrary block, curvilinear grid topology. An automatic grid adaption scheme is incorporated which concentrates grid points in high density gradient regions. A variety of user-specified boundary conditions are available. This paper will present the application of the scalable and superscalable versions to the steady state viscous flow analysis of the V-22 Osprey using a multiple zone global mesh. The mesh consists of a series of sheared cartesian grid blocks with polar grids embedded within to better simulate the wing tip mounted nacelle. MPP solutions will be shown in comparison to equivalent Cray C-90 results and also in comparison to experimental data. Discussions on meshing considerations, wall clock execution time, load balancing, and scalability will be provided.

Vadyak, Joseph↗

NASA NTRS2011

Numerical Implementation of a Multiple-ISV Thermodynamically-Based Work Potential Theory for Modeling Progressive Damage and Failure in Fiber-Reinforced Laminates

A thermodynamically-based work potential theory for modeling progressive damage and failure in fiber-reinforced laminates is presented. The current, multiple-internal state variable (ISV) formulation, enhanced Schapery theory (EST), utilizes separate ISVs for modeling the effects of damage and failure. Damage is considered to be the effect of any structural changes in a material that manifest as pre-peak non-linearity in the stress versus strain response. Conversely, failure is taken to be the effect of the evolution of any mechanisms that results in post-peak strain softening. It is assumed that matrix microdamage is the dominant damage mechanism in continuous fiber-reinforced polymer matrix laminates, and its evolution is controlled with a single ISV. Three additional ISVs are introduced to account for failure due to mode I transverse cracking, mode II transverse cracking, and mode I axial failure. Typically, failure evolution (i.e., post-peak strain softening) results in pathologically mesh dependent solutions within a finite element method (FEM) setting. Therefore, consistent character element lengths are introduced into the formulation of the evolution of the three failure ISVs. Using the stationarity of the total work potential with respect to each ISV, a set of thermodynamically consistent evolution equations for the ISVs is derived. The theory is implemented into commercial FEM software. Objectivity of total energy dissipated during the failure process, with regards to refinements in the FEM mesh, is demonstrated. The model is also verified against experimental results from two laminated, T800/3900-2 panels containing a central notch and different fiber-orientation stacking sequences. Global load versus displacement, global load versus local strain gage data, and macroscopic failure paths obtained from the models are compared to the experiments.

Pineda, Evan J.↗

NASA NTRS2012

A Thermodynamically-Based Mesh Objective Work Potential Theory for Predicting Intralaminar Progressive Damage and Failure in Fiber-Reinforced Laminates

Pineda, Evan J.↗

DOE OSTI2024

3D modeling of deep borehole electromagnetic measurements with energized casing source for fracture mapping at the Utah Frontier Observatory for Research in Geothermal Energy

Here, we present a 3D numerical modelling analysis evaluating the deployment of a borehole electromagnetic measurement tool to detect and image a stimulated zone at the Utah Frontier Observatory for Research in Geothermal Energy geothermal site. As the depth to the geothermal reservoir is several kilometres and the size of the stimulated zone is limited to several 100 m, surface-based controlled-source electromagnetic measurements lack the sensitivity for detecting changes in electrical resistivity caused by the stimulation. To overcome the limitation, the study evaluates the feasibility of using a three-component borehole magnetic receiver system at the Frontier Observatory for Research in Geothermal Energy site. To provide sufficient currents inside and around the enhanced geothermal reservoir, we use an injection well as an energized casing source. To efficiently simulate energizing the injection well in a realistic 3D resistivity model, we introduce a novel modelling workflow that leverages the strengths of both 3D cylindrical-mesh-based electromagnetic modelling code and 3D tetrahedral-mesh-based electromagnetic modelling code. The former is particularly well-suited for modelling hollow cylindrical objects like casings, whereas the latter excels at representing more complex 3D geological structures. In this workflow, our initial step involves computing current densities along a vertical steel-cased well using a 3D cylindrical electromagnetic modelling code. Subsequently, we distribute a series of equivalent current sources along the well's trajectory within a complex 3D resistivity model. We then discretize this model using a tetrahedral mesh and simulate the borehole electromagnetic responses excited by the casing source using a 3D finite-element electromagnetic code. This multi-step approach enables us to simulate 3D casing source electromagnetic responses within a complex 3D resistivity model, without the need for explicit discretization of the well using an excessive number of fine cells. We discuss the applicability and limitations of this proposed workflow within an electromagnetic modelling scenario where an energized well is deviated, such as at the Frontier Observatory for Research in Geothermal Energy site. Using the workflow, we demonstrate that the combined use of the energized casing source and the borehole electromagnetic receiver system offer measurable magnetic field amplitudes and sensitivity to the deep localized stimulated zone. The measurements can also distinguish between parallel-fracture anisotropic reservoirs and isotropic cases, providing valuable insights into the fracture system of the stimulated zone. Besides the magnetic field measurements, vertical electric field measurements in the open well sections are also highly sensitive to the stimulated zone and can be used as additional data for detecting and imaging the target. We can also acquire additional multiple-source data by grounding the surface electrode at various locations and repeating borehole electromagnetic measurements. This approach can increase the number of monitoring data by several factors, providing a more comprehensive dataset for analysing the deep-localized stimulated zone. The numerical analysis indicates that it is feasible to use the combination of the energized casing and downhole electromagnetic measurements in monitoring localized stimulated zone at large depths.

58 GEOSCIENCES↗

DOE OSTI2020

Efficacy of the Cell Perturbation Method in Large-Eddy Simulations of Boundary Layer Flow over Complex Terrain

A challenge to simulating turbulent flow in multiscale atmospheric applications is the efficient generation of resolved turbulence motions over an area of interest. One approach is to apply small perturbations to flow variables near the inflow planes of turbulence-resolving simulation domains nested within larger mesoscale domains. While this approach has been examined in numerous idealized and simple terrain cases, its efficacy in complex terrain environments has not yet been fully explored. Here, we examine the benefits of the stochastic cell perturbation method (CPM) over real complex terrain using data from the 2017 Perdigão field campaign, conducted in an approximately 2-km wide valley situated between two nearly parallel ridges. Following a typical configuration for multiscale simulation using nested domains within the Weather Research and Forecasting (WRF) model to downscale from the mesoscale to a large-eddy simulation (LES), we apply the CPM on a domain with horizontal grid spacing of 150 m. At this resolution, spurious coherent structures are often observed under unstable atmospheric conditions with moderate mean wind speeds. Results from such an intermediate resolution grid are often nested down for finer, more detailed LES, where these spurious structures adversely affect the development of turbulence on the subsequent finer grid nest. We therefore examine the impacts of the CPM on the representation of turbulence within the nested LES domain under moderate mean flow conditions in three different stability regimes: weakly convective, strongly convective, and weakly stable. In addition, two different resolutions of the underlying terrain are used to explore the role of the complex topography itself in generating turbulent structures. We demonstrate that the CPM improves the representation of turbulence within the LES domain, relative to the use of high-resolution complex terrain alone. During the convective conditions, the CPM improves the rate at which smaller-scales of turbulence form, while also accelerating the attenuation of the spurious numerically generated roll structures near the inflow boundary. During stable conditions, the coarse mesh spacing of the intermediate LES domain used herein was insufficient to maintain resolved turbulence using CPM as the flow develops downstream, highlighting the need for yet higher resolution under even weakly stable conditions, and the importance of accurate representation of flow on intermediate LES grids.

17 WIND ENERGY↗

DOE OSTI2020

LLNL Kimberlina 1.2 NUFT Simulations June 2018 (v2)

This dataset contains the output 6,000, 3-dimensional reactive multi-phase flow and transport aquifer simulations of brine and CO2 leakage into a protective aquiver in California’s San Joaquin Valley and input data files detailing the geologic mesh, aquifer physical properties and CO2 and brine injection rates. This data set was generated as an ongoing effort with the US DOE National Risk Assessment Partnership (NRAP) to evaluate the effectiveness of monitoring techniques to detect brine and CO2 leakage from legacy wells into underground sources of drinking water overlaying a CO2 storage reservoir. Each simulation contains a unique set of input parameters, generated stochastically. The outputs consist of these upper three geologic layers (from top): the Etchegoin, Macoma-Chanac, Santa Margarita-McLure formations. These simulations span the several distances (1, 3 and 6 km or wells W31-0.2, W31-0.5 and W31-1.0, respectively) from the CO2 injector, initiated from bottom hole pressure and saturation to calculate wellbore leakage from the storage reservoir, with low and high regional groundwater gradients and wellbore leakage into 5 leaky nodes. The dataset includes 1,000 unique simulations for each distance, which each contain a unique aquifer heterogeneity, aquifer and caprock permeability, and two model generations are included with a high permeability (prod07) and hybrid permeability (prod09). The range of permeability distributions is listed in Table 1. Each model generation consists of 3,000 simulations. Included in the dataset are the leakage rates determined from 2D wellbore models which utilize the pressure and CO2 saturation from LBL's reservoir simulations, NUFT mesh files with distributed lithology, NUFT rocktab files which describe the material properties for the geologic layers and the NUFT input files and post-processed output 'ntab' files. Each ntab file contains spatial (rows) and temporal (columns) model output tables for each model cell, the locations (x,y,z) and dimensions for each cells (dx, dy, dz). Table 1. Permeability distribution ranges for prod07 and prod09 model generations Geologic Layer: Permeability Range (log10 m^2) prod07 prod09 Etchegoin -12.92 to -10.92 -13.70 to -11.44 Macoma-Chanac -12.72 to -10.72 -13.50 to -11.24 Santa Margarita-McLure -12.70 to -10.70 -13.48 to -11.22 The input files used to generate the model include which are included in the dataset are: Time series of CO2 leakage input into the model (ex: Q_brn.W31-0.2.sim1000.layers123.tab) Time series of CO2 leakage input into the model (ex: Q_CO2.W31-0.2.sim1000.layers123.tab) Physical properties of the aquifer materials detailing the aquifer porosity, solid density, partitioning coefficients, permeabilities and van-Genuchten parameters detailed in a NUFT rocktab file: (ex: sim1000.usnt.rocktab) Numerical mesh and geologic data assigned to each model cell detailed in a NUFT genmsh format (ex: sim1000.mesh_k16.prod07.trans.genmsh) The primary output parameters are: pH (use absolute value) Change in TDS (mg/kg) Change in Pressure (Pa) Change CO2 gas saturation (fraction range 0.0-1.0) for example, the directory /p/lscratchh/mansoor1/nrap/kimberlina/prod09/mainfiles/sim1000/W31- 0.2 contains: sim1000.W31-0.2.trans.pH.red.ntab sim1000.W31-0.2.no_bg.trans.TDS.red.ntab sim1000.W31-0.2.usnt.P.deltabg.red.ntab sim1000.W31-0.2.usnt.CO2_sat.deltabg.red.ntab Each row in the NTAB files consist of model output per numerical grid cell. Each output file contains 33 columns (variables), including the information of numerical records, geologic location and sizes and the simulated parameter values over time. The first 13 variables are about numerical records and relative geologic information for a simulation grid: 1. index: simulation index 2. i: the ith grid of x-axis 3. j: the ith grid of y-axis 4. k: the ith grid of z-axis 5. element_ref: element reference 6. nuft_ind: nuft index 7. x: grid location in the x axis direction 8. y: grid location in the y axis direction 9. z: grid location in the z axis direction 10. dx: grid length in the x axis direction 11. dy: grid length in the y axis direction 12. dz: grid length in the z axis direction 13. volume: volume of the simulation grid The remainder (14, 15, 16...) variables are the simulated parameter values over time, take Pressure as an example, are: 14. 0.0y: initial pressure per cell. 15. 10.0y: simulated pressure at the end of the 10th year. 16. 20.0y: simulated pressure at the end of the 20th year. ... (repeated for every 10 years until 200 years)... The model extends 10,000 m, 5,000 m and 1,411 m in the x,y and z dimensions, respectively. The mesh consists of 164,832 cells with mesh dimensions of 101 x 51 x 32 (nx, ny, nz), with cell dimensions ranging from 100 m laterally (along x and y-axis) and model layers are as designated in the z-axis: Layer 1: atmosphere (1e-30 m thick) Layer 2: upper caprock (10 m thick) Layers 3-13: Etchegoin (536.23 m thck) Layers 14-27: Macoma-Chanac (679.04 m thick) Layers 28-32: Santa Margarita-McLure (185.94 m thick) The wellbore is placed along node i=51, j=26, and extends vertically along 5 nodes from the top to the bottom of the model. Special instructions when extracting files: Each Gzip archive (ex: prod07.sim1000-sim00099.tar.gz) contains 100 simulations. Gzip archives should be transferred into base directories (ie. In Linux: mkdir prod07; mv prod07.*.tar.gz prod07/.) before extracting, or files will be overwritten. Each sub-simulation tree should have the following file structure pattern (using the linux 'tree' command): |-- prod07 | |-- sim0001 | |-- W31-0.2 | | |-- Q_brn.W31-0.2.sim0001.layers123.tab | | |-- Q_co2.W31-0.2.sim0001.layers123.tab | | |-- sim0001.W31-0.2.no_bg.trans.TDS.red.ntab | | |-- sim0001.W31-0.2.trans.pH.red.ntab | | |-- sim0001.W31-0.2.usnt.CO2_sat.deltabg.red.ntab | | |-- sim0001.W31-0.2.usnt.P.deltabg.red.ntab | |-- W31-0.5 | | |-- Q_brn.W31-0.5.sim0001.layers123.tab | | |-- Q_co2.W31-0.5.sim0001.layers123.tab | | |-- sim0001.W31-0.5.no_bg.trans.TDS.red.ntab | | |-- sim0001.W31-0.5.trans.pH.red.ntab | | |-- sim0001.W31-0.5.usnt.CO2_sat.deltabg.red.ntab | | |-- sim0001.W31-0.5.usnt.P.deltabg.red.ntab | |-- W31-1.0 | | |-- Q_brn.W31-1.0.sim0001.layers123.tab | | |-- Q_co2.W31-1.0.sim0001.layers123.tab | | |-- sim0001.W31-1.0.no_bg.trans.TDS.red.ntab | | |-- sim0001.W31-1.0.trans.pH.red.ntab | | |-- sim0001.W31-1.0.usnt.CO2_sat.deltabg.red.ntab | | |-- sim0001.W31-1.0.usnt.P.deltabg.red.ntab | |-- sim0001.mesh_k16.prod07.trans.genmsh Disclaimer This document was prepared as an account of work sponsored by an agency of the United States government. Neither the United States government nor Lawrence Livermore National Security, LLC, nor any of their employees makes any warranty, expressed or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise does not necessarily constitute or imply its endorsement, recommendation, or favoring by the United States government or Lawrence Livermore National Security, LLC. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States government or Lawrence Livermore National Security, LLC, and shall not be used for advertising or product endorsement purposes. Lawrence Livermore National Laboratory is operated by Lawrence Livermore National Security, LLC, for the U.S. Department of Energy, National Nuclear Security Administration under Contract DE-AC52-07NA27344. This report was reviewed and released as LLNL-MI-753464.

aquifer↗

NASA NTRSDate not supplied

Improved Benchmarking of Cohesive Elements in Abaqus Standard for Predicting Disbond and Delamination in Composite Structures

Traditional approaches for aircraft certification require the assumption of an initial flaw condition, either represented as barely visible impact damage (BVID) or through inclusion of a Teflon insert to serve as surrogate damage. Based on the initial composite damage state, the structure must be shown to demonstrate structural durability and damage tolerance (DaDT) according to the following criteria: a. Damage displays no detrimental growth under cyclic loading b. The structure is able to sustain design limit load (DLL) Currently, the only available manner for validating structural performance is through test. Since damage can occur over a wide variety of areas within a structure, this approach has proven to be increasingly expensive and time consuming for composite airframes and acreage structure within the design-test-certification building block. A further complicating factor is the requirement to accurately capture the most critical damage morphologies as a starting condition. To understand the severity of the damage, it is either required to experimentally determine the most critical areas at tremendous expense or rely on legacy data of similar structural testing, which limits design space expansion. A preferred solution is to use advanced analysis to provide improved understanding of load margins for critical locations based on a wide variety of potential starting damage conditions. The standard industry approach for DaDT certification adheres to the use of the traditional virtual crack closure technique (VCCT) method. VCCT is generally a preferred method because it conforms to the current certification principles of damage from a known flaw, and when used correctly, can be effective at predicting delamination propagation under static and cyclic loading. The VCCT method requires the inclusion of an initial flaw in the finite element (FE) model requiring a-priori knowledge of the flaw location. This in turn requires a plethora of analysis cases to be examined to cover a reasonable span of potential damage states. Additionally, the VCCT approach requires node-to-node connectivity rendering it incompatible with the best practices and approaches for using continuum damage mechanics (CDM) based progressive damage and failure analysis (PDFA) tools within a typical FE solver. Alternatives to VCCT have emerged in the form of cohesive elements which utilize the cohesive zone model (CZM). Unlike VCCT which models linear elastic fracture mechanics, cohesive elements couples continuum and fracture based responses through the use of bilinear traction separation laws. These laws are defined based on a penalty stiffness, a cohesive strength, and a strain energy release rate. The approach can be mesh regularized with native cohesive elements within many FE solvers such as Abaqus and LS-DYNA. In Phase I of the NASA Advanced Composites Consortium (ACC) post-buckled stiffened panel with BVID, Strength and Life [1], the performance of cohesive elements were benchmarked in comparison to VCCT and LEFM solutions and showed good agreement using Abaqus explicit [2]. To realize savings on current and future programs, it is still necessary to close technical gaps related to the use of cohesive elements with Abaqus Standard. Within a program environment, standard finite element analysis is the preferred analytical capability for quasi-static loading as it eliminates uncertainty due to oscillatory behavior commonly seen with explicit analysis. This oscillatory behavior creates difficulties in writing margins of safety based on the analysis. The use of negative tangent stiffness material models complicates convergence which typically requires the use of numerical controls such as viscous damping to overcome. To date, there has not been a comprehensive study on how to establish best practices for cohesive element convergence for predictive capability within the Abaqus implicit solver. In pursuit of these goals, under the NASA ACC program, several numerical benchmark problems were proposed including pure mode I (double cantilevered beam – DCB), pure mode II (end notch flexure – ENF), and symmetric/unsymmetric evolving mixed mode (single leg bend – SLB). This paper focuses on the use of cohesive elements to model the delamination through the use of CZM. Specifically, finite element models for the DCB, ENF, symmetric SLB, and unsymmetric SLB, are developed and various solution controls for convergence are studied to develop a best practice. Once the best practice has been developed, the predictive capability of the objective CZM model is used to analyze the hat pull-off strength of a standard hat stiffened configuration under various loading conditions.

Abaqus↗

DOE OSTI2025

Statistical evaluation of microscale stress conditions leading to void nucleation in the weak shock regime

Here, we investigate the heterogeneity of the stress state driven by anisotropic deformation response at the single crystal level through five statistical volume element (SVE) calculations of polycrystalline BCC tantalum. This work focuses on grain boundaries as a prominent material defect type prone to void nucleation based upon experimental observations of predominantly intergranular void nucleation in this material. The SVEs are constructed to be statistically representative of larger volumes of material and are meshed such that mean and standard deviation of grain size and orientation information is reconstructed. The computational meshes feature hexahedral (brick) elements and smooth conformal grain boundaries where significant stress concentration is known to occur, a tail effect of interest in the extreme events process of dynamic ductile damage. An existing micromechanical crystallographic plasticity model shown to capture the single crystal behavior of BCC tantalum well is used to perform the polycrystal calculations. The model includes representation of the non-Schmid effect of non-planar screw dislocation kinetics in tantalum. A three-dimensional stress state time profile predicted by damage modeling of a flyer plate impact experiment is applied as boundary conditions to each SVE. Resulting grain boundary stress state statistics are strongly non-Gaussian. Significant structural evolution is observed within the compressive hold before unloading into tension in the stress profile. Strong angular dependence of grain boundary traction magnitude with shock direction is observed. Non-Schmid effects continue to suggest their influence on propensity of microstructural defect types to nucleate voids. A general void nucleation criterion is proposed using probability theory. The general framework is specified to polycrystalline BCC tantalum in the weak shock regime to include the SVE calculations and literature molecular dynamics calculations of grain boundary void nucleation strength. Probability density functions (PDFs) are used to describe the interaction between the local stress state heterogeneity and the distributed grain boundary void nucleation strength state. A causation entropy maximization procedure removes the requirement for ad hoc selection of a PDF functional form and provides a rigorous procedure for data-based PDF determination. The resulting physically informed PDF describes the spatial appearance frequency of nucleated voids as a function of applied macroscale pressure. Lower length scale physics are thus packaged in a precise and computationally efficient way to provide computational plasticity insight to macroscale dynamic ductile damage models.

36 MATERIALS SCIENCE↗

NASA NTRS2016

Improving Fidelity of Launch Vehicle Liftoff Acoustic Simulations

Launch vehicles experience high acoustic loads during ignition and liftoff affected by the interaction of rocket plume generated acoustic waves with launch pad structures. Application of highly parallelized Computational Fluid Dynamics (CFD) analysis tools optimized for application on the NAS computer systems such as the Loci/CHEM program now enable simulation of time-accurate, turbulent, multi-species plume formation and interaction with launch pad geometry and capture the generation of acoustic noise at the source regions in the plume shear layers and impingement regions. These CFD solvers are robust in capturing the acoustic fluctuations, but they are too dissipative to accurately resolve the propagation of the acoustic waves throughout the launch environment domain along the vehicle. A hybrid Computational Fluid Dynamics and Computational Aero-Acoustics (CFD/CAA) modeling framework has been developed to improve such liftoff acoustic environment predictions. The framework combines the existing highly-scalable NASA production CFD code, Loci/CHEM, with a high-order accurate discontinuous Galerkin (DG) solver, Loci/THRUST, developed in the same computational framework. Loci/THRUST employs a low dissipation, high-order, unstructured DG method to accurately propagate acoustic waves away from the source regions across large distances. The DG solver is currently capable of solving up to 4th order solutions for non-linear, conservative acoustic field propagation. Higher order boundary conditions are implemented to accurately model the reflection and refraction of acoustic waves on launch pad components. The DG solver accepts generalized unstructured meshes, enabling efficient application of common mesh generation tools for CHEM and THRUST simulations. The DG solution is coupled with the CFD solution at interface boundaries placed near the CFD acoustic source regions. Both simulations are executed simultaneously with coordinated boundary condition data exchange.

Liever, Peter↗

NASA NTRS2015

Impact and Penetration of Thin Aluminum 2024 Flat Panels at Oblique Angles of Incidence

The U.S. Federal Aviation Administration (FAA) and the National Aeronautics and Space Administration (NASA) are actively involved in improving the predictive capabilities of transient finite element computational methods for application to safety issues involving unintended impacts on aircraft and aircraft engine structures. One aspect of this work involves the development of an improved deformation and failure model for metallic materials, known as the Tabulated Johnson-Cook model, or MAT224, which has been implemented in the LS-DYNA commercial transient finite element analysis code (LSTC Corp., Livermore, CA) (Ref. 1). In this model the yield stress is a function of strain, strain rate and temperature and the plastic failure strain is a function of the state of stress, temperature and strain rate. The failure criterion is based on the accumulation of plastic strain in an element. The model also incorporates a regularization scheme to account for the dependency of plastic failure strain on mesh size. For a given material the model requires a significant amount of testing to determine the yield stress and failure strain as a function of the three-dimensional state of stress, strain rate and temperature. In addition, experiments are required to validate the model. Currently the model has been developed for Aluminum 2024 and validated against a series of ballistic impact tests on flat plates of various thicknesses (Refs. 1 to 3). Full development of the model for Titanium 6Al-4V is being completed, and mechanical testing for Inconel 718 has begun. The validation testing for the models involves ballistic impact tests using cylindrical projectiles impacting flat plates at a normal incidence (Ref. 2). By varying the thickness of the plates, different stress states and resulting failure modes are induced, providing a range of conditions over which the model can be validated. The objective of the study reported here was to provide experimental data to evaluate the model under more extreme conditions, using a projectile with a more complex shape and sharp contacts, impacting flat panels at oblique angles of incidence.

Ruggeri, Charles R.↗

DOE OSTI2025

Development and Validation of MALAMUTE model for Electric Field Assisted Sintering of Structural Materials

Fusion power plant designs feature extreme material performance requirements for structural material candidates. In addition to conventional alloys, more advanced composites and oxide dispersion strengthened (ODS) alloys are being explored, however, achieving the desired microstructures to maximize performance using traditional manufacturing methods can be challenging. The advanced manufacturing (AM) electric field-assisted sintering (EFAS) technique offers improved control over the final microstructure through higher heating and cooling rates and moderate pressures. Modeling and simulation tools show promise in elucidating the process-structure-property-performance (PSPP) correlation for AM-produced parts, including the EFAS process. An inherently multiscale process, the EFAS technique aligns well with the multiscale modeling capability of the open-source Multiphysics Object-Oriented Simulation Environment (MOOSE)[cite]. We present here an electro-thermo-mechanical approach to modeling the EFAS process using the MOOSE Application Library for Advanced Manufacturing UTilitiEs (MALAMUTE) code. Prediction of the field and gradient distributions across the EFAS tooling is required to accurately describe the conditions for the lower-scale microstructural evolution models. In this work we present the MALAMUTE model developed to predict the electrical potential, temperature, and mechanical stress distribution across the EFAS graphite tooling and part at the larger engineering-scale. Validation of the MALAMUTE engineering-scale model is completed using data from experimental densification and pre-densified runs of iron powder via EFAS at 1000oC. These runs were conducted using a Thermal Technology DCS-5 EFAS system. Data collected during the experiment runs include the direct current (DC) supplied to the graphite tooling, the temperature of the graphite tooling as measured with a pyrometer, and the force applied to the top of the graphite tooling stack, and the data were recorded every 10 seconds. Our validation approach used the current and force data from the EFAS run as boundary condition inputs to the MAMALUTE simulation; the temperature data were used to evaluate the MALAMUTE EFAS model prediction. Results of the MALAMUTE simulations are employed to connect the external pyrometer temperature measurement to the temperature profile across the part undergoing consolidation. We investigate the impact of material property variation and mesh deformation on the temperature profile as predicted by MALAMUTE. We conclude by highlighting projects where the MALAMUTE EFAS modeling and simulation capabilities will be used to assist experimental design.

36 - MATERIALS SCIENCE↗

DOE OSTI2023

Energy Exascale Earth System Model v2.1.0

First release of version 2.1 of the Energy Exascale Earth System Model. [ATM] The atmosphere component remains EAM. There are no major changes in the default configuration since 2.0. New features include: A semi-lagrangian tracer transport for theta-l dycore, a new algorithm for finding the tropopause, new RRM mesh configurations. Add and update SSP370 and SSP585 cases. Restore the FIDEAL case. [LAND] The land component is ELM. There are no major changes in the default configuration since 2.0. Several option features have been added including: implementation of topography-based subgrid structure (topounits) and accompanying parameterizations and atmospheric forcing downscaling methods; a new plant hydraulics scheme; two-way land-river hydrological coupling through the infiltration of floodplain water; an implementation of perennial crops; updates to the SNICAR-AD snow radiative transfer model; and implementation of soil erosion and sediment yield in ELM-Erosion. Each of these new changes is modular in design and can be turned on or off as the user specifies; they are currently being tested in different “BGC” configurations. [OCEAN] The ocean component remains MPAS-Ocean. Major change since version 2.0 include the addition of the Fox-Kemper et al. 2011 parameterization for submesocale eddies, a correction for barotropic thickness consistency that reduces divergence noise, and the addition of an ocean carbon conservation analysis member. [SEAICE] The sea-ice component remains MPAS-Seaice. Major changes since version 2.0 include: A correction to how shortwave parameters are interpolated in the snicar-ad 5-band radiation scheme, the addition of a sea ice carbon conservation analysis member, updates to the default sea ice biogeochemistry namelist parameters to be consistent with version 2.0 improvements to nitrogen cycling and a correction in the ice-ocean dissolved organic nitrogen coupling. [LAND ICE] The land-ice component remains MPAS-Albany-landIce (MALI). Major changes since 2.0 include an update to the MALI version and the Greenland mesh.[RIVER] The river model is MOSART. There are no major changes in the default configuration since 2.0. A major new optional feature is two-way river-ocean hydrological coupling between MOSART and MPAS-O. This change can be turned on or off as the user specifies, and is being tested in different configurations. [COUPLER] The coupler remains cpl7/MCT. Major changes since version 2.0 include: Carbon budget calculated when heat/water budgets active. Fix a bug in land-atm fluxes for tri-grid configurations. [OTHER] a small bug in the zenith angle calculation was fixed in the data models.

ECP↗