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DOE OSTI2025

MS25: Materials Science-Focused Benchmark Data Set for Machine Learning Interatomic Potentials

Here, we present MS25, a benchmark data set for evaluating machine learning interatomic potentials (MLIPs) across diverse materials-relevant systems including MgO surfaces, liquid water, zeolites, a catalytic Pt surface reaction, high-entropy alloys (HEAs), and disordered Zr-oxides. Five MLIP architectures (MACE, NequIP, Allegro, MTP, and Torch-ANI) are trained and tested, focusing not only on traditional metrics (energies, forces, and stresses) but also explicitly validating derived physical observables such as lattice constants, volumes, and reaction barriers. We find that most models reach comparable accuracy on standard error metrics across the simple systems, although equivariant MLIPs offer 1.5–2× improvements over nonequivariant MLIPs in energy and force error for structurally complex or compositionally disordered environments such as HEAs and Zr–O systems. Our analysis highlights that low errors in energy and force predictions do not guarantee reliable observables, emphasizing the necessity of explicit validation. We demonstrate limitations in cross-framework transferability, as models trained on one zeolite framework (CHA) fail to reliably generalize to predictions of structurally distinct frameworks (e.g., MFI). Size-extensive tests show some dependence on system size for MgO, resulting from forced periodicity. The HEA and Zr–O data sets are identified as challenging tests for future benchmarks and MLIP model architecture developments as they show significant differentiation in error between MLIP architectures and are still relatively difficult at 1000 training images. Moving forward, we recommend that benchmarking efforts shift their focus from marginal accuracy improvements in energy and force errors toward identifying and understanding model failure modes, rigorously assessing transferability, and evaluating how their errors affect observable predictions. For researchers looking to choose an MLIP architecture, we suggest selecting equivariant MLIP architectures if the complexity of the system is a challenge. For simple materials problems, auxiliary features such as integration with molecular dynamics engines, trade-offs between computational data set generation cost vs MLIP inference speed, and framework integration may play a more important decision factor than small differences in error metrics that are unlikely to matter for production-level research.

chemical structure↗

DOE OSTI2022

Assessment of four strain energy decomposition methods for phase field fracture models using quasi-static and dynamic benchmark cases

Abstract Strain energy decomposition methods in phase field fracture models separate strain energy that contributes to fracture from that which does not. However, various decomposition methods have been proposed in the literature, and it can be difficult to determine an appropriate method for a given problem. The goal of this work is to facilitate the choice of strain decomposition method by assessing the performance of three existing methods (spectral decomposition of the stress or the strain and deviatoric decomposition of the strain) and one new method (deviatoric decomposition of the stress) with several benchmark problems. In each benchmark problem, we compare the performance of the four methods using both qualitative and quantitative metrics. In the first benchmark, we compare the predicted mechanical behavior of cracked material. We then use four quasi-static benchmark cases: a single edge notched tension test, a single edge notched shear test, a three-point bending test, and a L-shaped panel test. Finally, we use two dynamic benchmark cases: a dynamic tensile fracture test and a dynamic shear fracture test. All four methods perform well in tension, the two spectral methods perform better in compression and with mixed mode (though the stress spectral method performs the best), and all the methods show minor issues in at least one of the shear cases. In general, whether the strain or the stress is decomposed does not have a significant impact on the predicted behavior.

Zhang, Shuaifang↗

NASA NTRS1990

A two-step iterative method for evolving nonlinear acoustic systems to a steady-state

A new approach for evolving two-dimensional nonlinear acoustic systems with flow to a steady state is presented. The approach is a two-step iterative method which is tested on a benchmark acoustic problem for which an exact analytical solution is available. Results are also calculated for a nonlinear acoustic problem for which an exact analytical solution is not known. Results indicate that the two-step method represents a powerful, efficient, and stable method for evolving two-dimensional acoustic systems to a steady state, and that the method is applicable to any number of spatial dimensions and to other hyperbolic systems. It is noted that for the benchmark problem only a single iteration on the method is required when the transient and steady-state field are of the same order of magnitude; however, four iterations are required when the steady-state field is several orders of magnitude smaller than the transient field. This method requires six iterations before achieving a steady state for the nonlinear test problem.

Watson, Willie R.↗

DOE OSTI2020

Call for Participation: Collaborative Benchmarking of Functional-Structural Root Architecture Models. The Case of Root Water Uptake

Three-dimensional models of root growth, architecture and function are becoming important tools that aid the design of agricultural management schemes and the selection of beneficial root traits. However, while benchmarking is common in many disciplines that use numerical models, such as natural and engineering sciences, functional-structural root architecture models have never been systematically compared. The following reasons might induce disagreement between the simulation results of different models: different representation of root growth, sink term of root water and solute uptake and representation of the rhizosphere. Presently, the extent of discrepancies is unknown, and a framework for quantitatively comparing functional-structural root architecture models is required. We propose, in a first step, to define benchmarking scenarios that test individual components of complex models: root architecture, water flow in soil and water flow in roots. While the latter two will focus mainly on comparing numerical aspects, the root architectural models have to be compared at a conceptual level as they generally differ in process representation. Therefore, defining common inputs that allow recreating reference root systems in all models will be a key challenge. In a second step, benchmarking scenarios for the coupled problems are defined. We expect that the results of step 1 will enable us to better interpret differences found in step 2. This benchmarking will result in a better understanding of the different models and contribute toward improving them. Improved models will allow us to simulate various scenarios with greater confidence and avoid bugs, numerical errors or conceptual misunderstandings. This work will set a standard for future model development.

Plant Sciences↗

DOE OSTI2023

SYNCA: A Synthetic Cyclotron Antenna for the Project 8 Collaboration

Cyclotron Radiation Emission Spectroscopy (CRES) is a technique for measuring the kinetic energy of charged particles through a precision measurement of the frequency of the cyclotron radiation generated by the particle's motion in a magnetic field. The Project 8 collaboration is developing a next-generation neutrino mass measurement experiment based on CRES. One approach is to use a phased antenna array, which surrounds a volume of tritium gas, to detect and measure the cyclotron radiation of the resulting β-decay electrons. To validate the feasibility of this method, Project 8 has designed a test stand to benchmark the performance of an antenna array at reconstructing signals that mimic those of genuine CRES events. To generate synthetic CRES events, a novel probe antenna has been developed, which emits radiation with characteristics similar to the cyclotron radiation produced by charged particles in magnetic fields. This paper outlines the design, construction, and characterization of this Synthetic Cyclotron Antenna (SYNCA). Furthermore, we perform a series of measurements that use the SYNCA to test the position reconstruction capabilities of the digital beamforming reconstruction technique. Finally, we find that the SYNCA produces radiation with characteristics closely matching those expected for cyclotron radiation and reproduces experimentally the phenomenology of digital beamforming simulations of true CRES signals.

47 OTHER INSTRUMENTATION↗

DOE OSTI2020

Building fault detection data to aid diagnostic algorithm creation and performance testing

It is estimated that approximately 4-5% of national energy consumption can be saved through corrections to existing commercial building controls infrastructure and resulting improvements to efficiency. Correspondingly, automated fault detection and diagnostics (FDD) algorithms are designed to identify the presence of operational faults and their root causes. A diversity of techniques is used for FDD spanning physical models, black box, and rule-based approaches. A persistent challenge has been the lack of common datasets and test methods to benchmark their performance accuracy. This article presents a first of its kind public dataset with ground-truth data on the presence and absence of building faults. This dataset spans a range of seasons and operational conditions and encompasses multiple building system types. It contains information on fault severity, as well as data points reflective of the measurements in building control systems that FDD algorithms typically have access to. The data were created using simulation models as well as experimental test facilities, and will be expanded over time.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

NASA NTRSDate not supplied

Comparison of Boeing 777 Landing Gear Noise Simulations with Flight Test Data

Acoustic phased microphone array measurements of aircraft flyover noise acquired during the 2005 Quiet Technology Demonstrator II test were used to assess the accuracy of high-fidelity, full-scale simulations of landing gear noise produced by a large civilian aircraft. The simulations, conducted with the lattice Boltzmann solver PowerFLOW®, used a highly accurate digital model of a Boeing 777-300ER aircraft with the nose and main landing gear components replicating the full-scale geometries. The simulations were performed for aircraft parameters that matched those recorded during the flyover test conditions. For benchmarking purposes, several aircraft configurations were simulated: a) nose landing gear deployed with main landing gear and wing high-lift devices stowed, b) nose and main landing gear deployed with wing high-lift devices stowed and c) nose and main landing gear with wing high-lift devices deployed. To facilitate direct comparison with measured data, the simulated data sets were used to generate synthetic pressure records at the same array microphone locations as those used during the flight test. Broadly self-consistent beamforming techniques and procedures were used to process the synthetic pressure records and the measured data. Integration of select regions of the beamform maps containing the nose or main landing gear yielded good agreement between predicted and measured integrated far-field spectra for forward directivity angles where airframe noise is more prominent.

airframe noise↗

NASA NTRS1991

Collected notes from the Benchmarks and Metrics Workshop

In recent years there has been a proliferation of proposals in the artificial intelligence (AI) literature for integrated agent architectures. Each architecture offers an approach to the general problem of constructing an integrated agent. Unfortunately, the ways in which one architecture might be considered better than another are not always clear. There has been a growing realization that many of the positive and negative aspects of an architecture become apparent only when experimental evaluation is performed and that to progress as a discipline, we must develop rigorous experimental methods. In addition to the intrinsic intellectual interest of experimentation, rigorous performance evaluation of systems is also a crucial practical concern to our research sponsors. DARPA, NASA, and AFOSR (among others) are actively searching for better ways of experimentally evaluating alternative approaches to building intelligent agents. One tool for experimental evaluation involves testing systems on benchmark tasks in order to assess their relative performance. As part of a joint DARPA and NASA funded project, NASA-Ames and Teleos Research are carrying out a research effort to establish a set of benchmark tasks and evaluation metrics by which the performance of agent architectures may be determined. As part of this project, we held a workshop on Benchmarks and Metrics at the NASA Ames Research Center on June 25, 1990. The objective of the workshop was to foster early discussion on this important topic. We did not achieve a consensus, nor did we expect to. Collected here is some of the information that was exchanged at the workshop. Given here is an outline of the workshop, a list of the participants, notes taken on the white-board during open discussions, position papers/notes from some participants, and copies of slides used in the presentations.

Drummond, Mark E.↗

NASA NTRS2001

Fluctuating Pressure Data from 2-D Nozzle Cold Flow Tests (Dual Bell)

Rocket engines nozzle performance changes as a vehicle climbs through the atmosphere. An altitude compensating nozzle, ACN, is intended to improve on a fixed geometry bell nozzle that performs at optimum at only one trajectory point. In addition to nozzle performance, nozzle transient loads are an important consideration. Any nozzle experiences large transient toads when shocks pass through the nozzle at start and shutdown. Additional transient toads will occur at transitional flow conditions. The objectives of cold flow nozzle testing at MSFC are CFD benchmark / calibration and Unsteady flow / sideloads. Initial testing performed with 2-D inserts to 14" transonic wind tunnel. Recent review of 2-D data in preparation for nozzle test facility 3-D testing. This presentation shows fluctuating pressure data and some observations from 2-D dual-bell nozzle cold flow tests.

Nesman, Tomas E.↗

DOE OSTI2025

Discrete fracture network model benchmarks developed and applied in a DECOVALEX-2023 repository performance assessment study

This study presents newly developed benchmarks for modeling flow and transport within discrete fracture networks (DFNs) and useful methods for analyzing the results. The new benchmarks are designed to test modeling approaches for use in probabilistic performance assessment models of deep geologic repositories in fractured rock. The benchmarks simulate flow and transport through a 1 km 3 block of fractured rock. The first simulates migration of a short pulse of tracer through a simple network of four intersecting fractures. The second adds 1089 stochastically generated fractures. The third changes the pulse to a continuous point source. Evaluation of model performance relies on moment analysis and comparison of the results of different models. The expected nondimensional first moment of the conservative tracer for each benchmark is 1. The benchmarks were simulated by teams from Canada, Czechia, Germany, Korea, Sweden, Taiwan, and the United States as part of a DECOVALEX-2023 study (decovalex.org). The teams used various approaches, including explicit DFN modeling, DFN upscaling to an equivalent continuous porous medium (ECPM), and a combination of both methods. Transport mechanisms are modeled using either the advection-dispersion equation or particle tracking. Results demonstrate strong agreement among the models in breakthrough behavior up to the 75th percentile. Significant deviations in first moments and well-clustered outputs led to the identification of inaccuracies in several models. Such findings exemplify the benefit of exercising these benchmarks and using the presented methods to test DFN flow and transport models.

Benchmark↗

DOE OSTI2020

SO(3)-invariance of informed-graph-based deep neural network for anisotropic elastoplastic materials

This work examines the frame-invariance (and the lack thereof) exhibited in simulated anisotropic elasto-plastic responses generated from supervised machine learning of classical multi-layer and informed-graph-based neural networks, and proposes different remedies to fix this drawback. The inherent hierarchical relations among physical quantities and state variables in an elasto-plasticity model are first represented as informed, directed graphs, where three variations of the graph are tested. While feed-forward neural networks are used to train path-independent constitutive relations (e.g., elasticity), recurrent neural networks are used to replicate responses that depends on the deformation history, i.e. or path dependent. In dealing with the objectivity deficiency, we use the spectral form to represent tensors and, subsequently, three metrics, the Euclidean distance between the Euler Angles, the distance from the identity matrix, and geodesic on the unit sphere in Lie algebra, can be employed to constitute objective functions for the supervised machine learning. In this, the aim is to minimize the measured distance between the true and the predicted 3D rotation entities. Following this, we conduct numerical experiments on how these metrics, which are theoretically equivalent, may lead to differences in the efficiency of the supervised machine learning as well as the accuracy and robustness of the resultant models. Neural network models trained with tensors represented in component form for a given Cartesian coordinate system are used as a benchmark. Our numerical tests show that, even given the same amount of information and data, the quality of the anisotropic elasto-plasticity model is highly sensitive to the way tensors are represented and measured. The results reveal that using a loss function based on geodesic on the unit sphere in Lie algebra together with an informed, directed graph yield significantly more accurate rotation prediction than the other tested approaches.

42 ENGINEERING↗

NASA NTRS2000

Use Computer-Aided Tools to Parallelize Large CFD Applications

Porting applications to high performance parallel computers is always a challenging task. It is time consuming and costly. With rapid progressing in hardware architectures and increasing complexity of real applications in recent years, the problem becomes even more sever. Today, scalability and high performance are mostly involving handwritten parallel programs using message-passing libraries (e.g. MPI). However, this process is very difficult and often error-prone. The recent reemergence of shared memory parallel (SMP) architectures, such as the cache coherent Non-Uniform Memory Access (ccNUMA) architecture used in the SGI Origin 2000, show good prospects for scaling beyond hundreds of processors. Programming on an SMP is simplified by working in a globally accessible address space. The user can supply compiler directives, such as OpenMP, to parallelize the code. As an industry standard for portable implementation of parallel programs for SMPs, OpenMP is a set of compiler directives and callable runtime library routines that extend Fortran, C and C++ to express shared memory parallelism. It promises an incremental path for parallel conversion of existing software, as well as scalability and performance for a complete rewrite or an entirely new development. Perhaps the main disadvantage of programming with directives is that inserted directives may not necessarily enhance performance. In the worst cases, it can create erroneous results. While vendors have provided tools to perform error-checking and profiling, automation in directive insertion is very limited and often failed on large programs, primarily due to the lack of a thorough enough data dependence analysis. To overcome the deficiency, we have developed a toolkit, CAPO, to automatically insert OpenMP directives in Fortran programs and apply certain degrees of optimization. CAPO is aimed at taking advantage of detailed inter-procedural dependence analysis provided by CAPTools, developed by the University of Greenwich, to reduce potential errors made by users. Earlier tests on NAS Benchmarks and ARC3D have demonstrated good success of this tool. In this study, we have applied CAPO to parallelize three large applications in the area of computational fluid dynamics (CFD): OVERFLOW, TLNS3D and INS3D. These codes are widely used for solving Navier-Stokes equations with complicated boundary conditions and turbulence model in multiple zones. Each one comprises of from 50K to 1,00k lines of FORTRAN77. As an example, CAPO took 77 hours to complete the data dependence analysis of OVERFLOW on a workstation (SGI, 175MHz, R10K processor). A fair amount of effort was spent on correcting false dependencies due to lack of necessary knowledge during the analysis. Even so, CAPO provides an easy way for user to interact with the parallelization process. The OpenMP version was generated within a day after the analysis was completed. Due to sequential algorithms involved, code sections in TLNS3D and INS3D need to be restructured by hand to produce more efficient parallel codes. An included figure shows preliminary test results of the generated OVERFLOW with several test cases in single zone. The MPI data points for the small test case were taken from a handcoded MPI version. As we can see, CAPO's version has achieved 18 fold speed up on 32 nodes of the SGI O2K. For the small test case, it outperformed the MPI version. These results are very encouraging, but further work is needed. For example, although CAPO attempts to place directives on the outer- most parallel loops in an interprocedural framework, it does not insert directives based on the best manual strategy. In particular, it lacks the support of parallelization at the multi-zone level. Future work will emphasize on the development of methodology to work in a multi-zone level and with a hybrid approach. Development of tools to perform more complicated code transformation is also needed.

Jin, H.↗

DOE OSTI2021

Closing the Loop on Automotive Carbon Fiber Prepreg Manufacturing Scrap

The project demonstrated how to “close the loop” on carbon fiber by integrating industrial carbon fiber scrap into new functional components in an automotive lightweighting application. The project serves as a validation of discontinuous recycled carbon fiber in a commercial context, while generating comprehensive material data throughout the production chain. To this end, the project exhibited increasing complexity as material evaluation progressed from benchtop to commercial scale through full-scale part production, with key material properties thoroughly characterized throughout the process. Of particular focus was the form of the fiber that was fed into compounding, as recycled fiber has historically been problematic to feed at commercial-scale. Carbon fiber is energy-intensive to manufacture, so reuse of existing fiber material can reduce costs and increase sustainability. Additionally, by integrating recovered short fiber into a thermoplastic, regrind processes can be used to provide feedstock for later generations of product. While regrind plastics are not “infinitely recyclable”, reusing the manufacturing scrap over several generations of products can greatly increase material sustainability and lower the fractional embodied energy of each successive product. As such, this project supports the IACMI technical goals of (1) 25% lower carbon fiber-reinforced polymer (CFRP) cost, (2) 50% reduction in CFRP embodied energy, and (3) 80% composite recyclability into useful products. The initial stage of the project involved down selecting surface treatment (sizing) chemistries. Sizing evaluations were performed on Vartega’s chemically recycled intermediate modulus fiber along with standard modulus dry scrap which was oversized with sizing provided by Michelman. More dramatic improvements from sizing were found on the standard rather than the intermediate modulus fibers. The strength of the chemically recycled individual fibers were evaluated by Michelman and ORNL through single fiber testing and found to be comparable to similarly evaluated virgin fibers. UDRI’s mechanical testing on injection molded test specimens identified similar mechanical properties and fiber distribution relative to benchmark specimens. Additional surface chemistry tests and visualizations were performed by the Colorado School of Mines to confirm close conformance between the benchmark and recycled-fiber specimens. As the mechanical test results exceeded the 80% threshold established as the go/no-go(GNG), the project scale was increased to use commercial-scale equipment that would both better characterize the manufacturing utility of the target product format and allow qualitative assessment of a complex commercial part. An upscaled compounding evaluation was performed with a 27 mm twin-screw compounding extruding using oversized standard modulus fibers that were formatted to improve bulk solids transfer. The project team anticipated that milestone mechanical benchmarks could be achieved given the favorable performance of the sized standard modulus material identified in the initial micro-compounding trials. While the mechanical performance did meet the milestone target for that phase of the project, mechanical properties for this standard modulus-based compound were still less than those of the Ford specification. To compare the performance, the project team oversized intermediate modulus dry fibers and compounded them with the project resin at BASF using a 40 mm compounder. Test specimen mechanical performance exceeded the targets laid out in both the project milestone and the Ford specification. A series of prototype parts were successfully molded, albeit with instances of short shot components due to the high thermal conductivity of the carbon fiber compared to glass fiber for which the prototype tool was designed for. The project demonstrated that recycled carbon fiber is a viable option in fiber reinforced compound, providing greatly increased strength and modulus for applications that require them. The “agglomerated” format that facilitated effective bulk solids transfer of recovered fiber showed promise for industrial application.

36 MATERIALS SCIENCE↗

NASA NTRS2017

Benchmark Shock Tube Experiments for Radiative Heating Relevant to Earth Re-Entry

Detailed spectrally and spatially resolved radiance has been measured in the Electric Arc Shock Tube (EAST) facility for conditions relevant to high speed entry into a variety of atmospheres, including Earth, Venus, Titan, Mars and the Outer Planets. The tests that measured radiation relevant for Earth re-entry are the focus of this work and are taken from campaigns 47, 50, 52 and 57. These tests covered conditions from 8 km/s to 15.5 km/s at initial pressures ranging from 0.05 Torr to 1 Torr, of which shots at 0.1 and 0.2 Torr are analyzed in this paper. These conditions cover a range of points of interest for potential fight missions, including return from Low Earth Orbit, the Moon and Mars. The large volume of testing available from EAST is useful for statistical analysis of radiation data, but is problematic for identifying representative experiments for performing detailed analysis. Therefore, the intent of this paper is to select a subset of benchmark test data that can be considered for further detailed study. These benchmark shots are intended to provide more accessible data sets for future code validation studies and facility-to-facility comparisons. The shots that have been selected as benchmark data are the ones in closest agreement to a line of best fit through all of the EAST results, whilst also showing the best experimental characteristics, such as test time and convergence to equilibrium. The EAST data are presented in different formats for analysis. These data include the spectral radiance at equilibrium, the spatial dependence of radiance over defined wavelength ranges and the mean non-equilibrium spectral radiance (so-called 'spectral non-equilibrium metric'). All the information needed to simulate each experimental trace, including free-stream conditions, shock time of arrival (i.e. x-t) relation, and the spectral and spatial resolution functions, are provided.

Shock Tube↗

DOE OSTI2021

Phase-field modeling of rate-dependent fluid-driven fracture initiation and propagation

The rate-dependent behavior associated with deformation and fracturing of materials, such as natural rocks, poses significant challenges for modeling. In addition to the complications of the viscoelastic response, the speed of fracture propagation reflects micromechanical mechanisms in the fracture process zone(FPZ). In order to represent these complicated behaviors, a thermodynamically consistent, rate-dependent fracture model is required. Based on rigorous thermodynamic principles, we derive a rate-dependent phase-field mechanical model coupled with single-phase fluid flow in both the matrix and the fracture. The model is guaranteed to satisfy energy conservation during fracture propagation. Here, the system of equations is solved using the introduced solution procedure and a novel preconditioner that accounts for the complex fluid-structure interaction. The proposed phase-field model is tested against several benchmark problems on solid-fluid coupling, fluid-driven fracture propagation and rate-dependent viscoelastic deformation. The model serves as a strong basis for investigating rate-dependent fracturing experiments and for making predictions of material behaviors under new conditions.

42 ENGINEERING↗

DOE OSTI2024

A multiscale anisotropic polymer network model coupled with phase field fracture

The study of polymers has continued to gain substantial attention due to their expanding range of applications, spanning essential engineering fields to emerging domains like stretchable electronics, soft robotics, and implantable sensors. These materials exhibit remarkable properties, primarily stemming from their intricate polymer chain network, which, in turn, increases the complexity of precisely modeling their behavior. Especially for modeling elastomers and their fracture behavior, accurately accounting for the deformations of the polymer chains is vital for predicting the rupture in highly stretched chains. Despite the importance, many robust multiscale continuum frameworks for modeling elastomer fracture tend to simplify network deformations by assuming uniform behavior among chains in all directions. Recognizing this limitation, our study proposes a multiscale fracture model that accounts for the anisotropic nature of elastomer network responses. At the microscale, damage in the chains is assumed to be driven by both the chain's entropy and the internal energy due to molecular bond distortions. In order to bridge the stretching in the chains to the macroscale deformation, we employ the maximal advance path constraint network model, inherently accommodating anisotropic network responses. As a result, chains oriented differently can be predicted to exhibit varying stretch and, consequently, different damage levels. To drive macroscale fracture based on damages in these chains, we utilize the micromorphic regularization theory, which involves the introduction of dual local-global damage variables at the macroscale. The macroscale local damage variable is obtained through the homogenization of the chain damage values, resulting in the prediction of an isotropic material response. The macroscale global damage variable is subjected to nonlocal effects and boundary conditions in a thermodynamically consistent phase field continuum formulation. Moreover, the total dissipation in the system is considered to be mainly due to the breaking of the molecular bonds at the microscale. To validate our model, we employ the double-edge notched tensile test as a benchmark, comparing simulation predictions with existing experimental data. Additionally, to enhance our understanding of the fracturing process, we conduct uniaxial tensile experiments on a square film made up of polydimethylsiloxane (PDMS) rubber embedded with a hole and notches and then compare our simulation predictions with the experimental observations. Furthermore, we visualize the evolution of stretch and damage values in chains oriented along different directions to assess the predictive capacity of the model. In conclusion, the results are also compared with another existing model to evaluate the utility of our model in accurately simulating the fracture behavior of rubber-like materials.

42 ENGINEERING↗

DOE OSTI2021

Second-Order Invariant Domain Preserving ALE Approximation of Euler Equations

Abstract An invariant domain preserving arbitrary Lagrangian-Eulerian method for solving non-linear hyperbolic systems is developed. The numerical scheme is explicit in time and the approximation in space is done with continuous finite elements. The method is made invariant domain preserving for the Euler equations using convex limiting and is tested on various benchmarks.

Guermond, Jean-Luc↗

DOE OSTI2020

Efficient solvers for hybridized three-field mixed finite element coupled poromechanics

We consider a mixed hybrid finite element formulation for coupled poromechanics. A stabilization strategy based on a macro-element approach is advanced to eliminate the spurious pressure modes appearing in undrained/incompressible conditions. The efficient solution of the stabilized mixed hybrid block system is addressed by developing a class of block triangular preconditioners based on a Schur-complement approximation strategy. Robustness, computational efficiency and scalability of the proposed approach are theoretically discussed and tested using challenging benchmark problems on massively parallel architectures.

42 ENGINEERING↗