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DOE OSTI2021

IC reports (2021)

We requested HPC support to continue research on the seismic waves generated by impacts. We used the following codes: (1) the Hybrid Optimization Software Suite (HOSS), developed at LANL. HOSS is based on a combined Finite and Discrete Element Method (FDEM). New material models are developed for the sedimentary rocks. HOSS has been recently benchmarked to iSale and FLAG codes. SPECFEM3D is an open-source code developed since the last 90s. It won the Gordon Bell award for best performance in 2003, was finalist again in 2008 for a run at 0.16 petaflops on 149,784 cores on the ‘Jaguar’ Cray system at Oak Ridge National Laboratory. It also won the BULL Joseph Fourier supercomputing award in 2010.; SW4 is a 4th-order finite difference code developed at LLNL which is currently actively developed to handle complex 3D models and to be ported on future exascale platforms. We assessed our need to a total of 3.9M CPU-hrs for year 1 and and 3.1 M for year 2.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1987

Advances and trends in computational structural mechanics

The development status and applicational range of techniques in computational structural mechanics (CSM) are evaluated with a view to advances in computational models for material behavior, discrete-element technology, quality assessment, the control of numerical simulations of structural response, hybrid analysis techniques, techniques for large-scale optimization, and the impact of new computing systems on CSM. Primary pacers of CSM development encompass prediction and analysis of novel materials for structural components, computational strategies for large-scale structural calculations, and the assessment of response prediction reliability together with its adaptive improvement.

Noor, Ahmed K.↗

NASA NTRS1992

The effects of uneven fiber spacing on thermal residual stresses in a unidirectional SCS-6Ti-15-3 laminate

High residual stresses develop in SCS-6/Ti-15-3 composites during cooldown from the fabrication temperature; these residual stresses can effect the mechanical and physical properties of the composite. Discrete fiber-matrix finite element models were used to study the residual stresses due to the temperature change during the fabrication process, including the effects of uneven fiber spacing, the free surface, and increased fiber volume fractions. To accurately model the effects of the free surface, it is only necessary to model one fiber through the thickness. Below the first ply, the analysis predicts stress distributions that are identical to the infinite array predictions. For uneven fiber space less then 0.042 mm in an interior ply, the maximum hoop stress was predicted to occur between fibers within a ply and to increase as the fiber spacing decreased. The maximum hoop stress correlated well with the observed radial cracking between fibers. For the case of touching fibers, the analysis predicted tensile radial stresses at the fiber-matrix debonding during the fabrication cooldown. Identical trends were predicted for uneven fiber spacing in surface plies with slightly greater values of maximum stresses. The analysis predicted matrix yielding to occur upon cooldown when the edge-to-edge fiber spacing was less than or equal to 0.022 mm. The stress distributions predicted for increasing fiber volume fractions were similar to those predicted for decreasing the fiber spacing for two adjacent fibers within a ply.

Bigelow, C. A.↗

NASA NTRS1992

The effects of uneven fiber spacing on thermal residual stresses in a unidirectional SCS-6/Ti-15-3 laminate

High residual stresses develop in SCS-6/Ti-15-3 composites during cooldown from the fabrication temperature; these residual stresses can effect the mechanical and physical properties of the composite. Discrete fiber-matrix finite element models were used to study the residual stresses due to the temperature change during the fabrication process, including the effects of uneven fiber spacing, the free surface, and increased fiber volume fractions. To accurately model the effects of the free surface, it is only necessary to model one fiber through the thickness. Below the first ply, the analysis predicts stress distributions that are identical to the infinite array predictions. For uneven fiber space less than 0.042 mm in an interior ply, the maximum hoop stress was predicted to occur between fibers within a ply and to increase as the fiber spacing decreased. The maximum hoop stress correlated well with the observed radial cracking between fibers. For the case of touching fibers, the analysis predicted tensile radial stresses at the fiber-matrix debonding during the fabrication cooldown. Identical trends were predicted for uneven fiber spacing in surface plies with slightly greater values of maximum stresses. The analysis predicted matrix yielding to occur upon cooldown when the edge-to-edge fiber spacing was less than or equal to 0.022 mm. The stress distributions preidcted for increasing fiber volume fractions were similar to those predicted for decreasing the fiber spacing for two adjacent fibers within a ply.

Bigelow, Catherine A.↗

NASA NTRS1995

Sensitivity analysis of frictional contact response of axisymmetric composite structures

A computational procedure is presented for evaluating the sensitivity coefficients of the static frictional contact response of axisymmetric composite structures. The structures are assumed to consist of an arbitrary number of perfectly bonded homogeneous anisotropic layers. The material of each layer is assumed to be hyperelastic, and the effect of geometric nonlinearity is included. The sensitivity coefficients measure the sensitivity of the response variations in different material, lamination and geometric parameters of the structure. A displacement finite element model is used for the discretization. The normal contact conditions are incorporated into the formulation by using a perturbed Lagrangian approach with the fundamental unknowns consisting of nodal displacements, and Lagrange multipliers associated with the contact conditions. The Lagrange multipliers are allowed to be discontinuous at interelement boundaries. Tangential contact conditions are incorporated by using a penalty method in conjunction with the classical Coulomb's friction model. The Newton-Raphson iterative scheme is used for the solution of the resulting nonlinear algebraic equations, and for the determination of the contact region, contact conditions (sliding or sticking), and the contact pressures. The sensitivity coefficients are evaluated by using a direct differentiation approach. Numerical results are presented for the frictional contact of a composite spherical cap pressed against a rigid plate.

Karaoglan, I.↗

NASA NTRS1995

Dynamic sensitivity analysis of frictional contact/impact response of axisymmetric composite structures

A computational procedure is presented for evaluating the sensitivity coefficients of the dynamic frictional contact/impact response of axisymmetric composite structures. The structures are assumed to consist of an arbitrary number of perfectly bonded homogeneous anisotropic layers. The material of each layer is assumed to be hyperelastic, and the effect of geometric nonlinearity is included. The sensitivity coefficients measure the sensitivity of the response to variations in different material, lamination and geometric parameters of the structure. A displacement finite element model is used for the discretization. The normal contact conditions are incorporated into the formulation by using a perturbed Lagrangian approach with the fundamental unknowns consisting of the nodal displacements, and the Lagrange multipliers associated with the contact conditions. The Lagrange multipliers are allowed to be discontinuous at interelement boundaries. Tangential contact conditions are incorporated by using a penalty method in conjunction with the classical Coulomb's friction model. Temporal integration is performed by using Newmark method. The Newton-Raphson iterative scheme is used for the solution of the resulting nonlinear algebraic equations, and for the determination of the contact region, contact conditions (sliding or sticking), and the contact pressures. The sensitivity coefficients are evaluated by using a direct differentiation approach. Numerical results are presented from the frictional contact/impact response of a composite spherical cap impacting on a rigid plate.

Karaoglan, Levent↗

NASA NTRS1983

The N/Rev phenomenon in simulating a blade-element rotor system

When a simulation model produces frequencies that are beyond the bandwidth of a discrete implementation, anomalous frequencies appear within the bandwidth. Such is the case with blade element models of rotor systems, which are used in the real time, man in the loop simulation environment. Steady state, high frequency harmonics generated by these models, whether aliased or not, obscure piloted helicopter simulation responses. Since these harmonics are attenuated in actual rotorcraft (e.g., because of structural damping), a faithful environment representation for handling qualities purposes may be created from the original model by using certain filtering techniques, as outlined here. These include harmonic consideration, conventional filtering, and decontamination. The process of decontamination is of special interest because frequencies of importance to simulation operation are not attenuated, whereas superimposed aliased harmonics are.

Mcfarland, R. E.↗

NASA NTRS1983

The N/rev phenomenon in simulating a blade-element rotor system

Mcfarland, R. E.↗

NASA NTRS2015

Face Sheet/Core Disbond Growth in Honeycomb Sandwich Panels Subjected to Ground-Air-Ground Pressurization and In-Plane Loading

Typical damage modes in light honeycomb sandwich structures include face sheet/core disbonding and core fracture, both of which can pose a threat to the structural integrity of a component. These damage modes are of particular interest to aviation certification authorities since several in-service occurrences, such as rudder structural failure and other control surface malfunctions, have been attributed to face sheet/core disbonding. Extensive studies have shown that face sheet/core disbonding and core fracture can lead to damage propagation caused by internal pressure changes in the core. The increasing use of composite sandwich construction in aircraft applications makes it vitally important to understand the effect of ground-air-ground (GAG) cycles and conditions such as maneuver and gust loads on face sheet/core disbonding. The objective of the present study was to use a fracture mechanics based approach developed earlier to evaluate the loading at the disbond front caused by ground-air-ground pressurization and in-plane loading. A honeycomb sandwich panel containing a circular disbond at one face sheet/core interface was modeled with three-dimensional (3D) solid finite elements. The disbond was modeled as a discrete discontinuity and the strain energy release rate along the disbond front was computed using the Virtual Crack Closure Technique (VCCT). Special attention was paid to the pressure-deformation coupling which can decrease the pressure load within the disbonded sandwich section significantly when the structure is highly deformed. The commercial finite element analysis software, Abaqus/Standard, was used for the analyses. The recursive pressure-deformation coupling problem was solved by representing the entrapped air in the honeycomb cells as filled cavities in Abaqus/Standard. The results show that disbond size, face sheet thickness and core thickness are important parameters that determine crack tip loading at the disbond front. Further, the pressure-deformation coupling was found to have an important load decreasing effect [6]. In this paper, a detailed problem description is provided first. Second, the analysis methodology is presented. The fracture mechanics approach used is described and the specifics of the finite element model, including the fluid-filled cavities, are introduced. Third, the initial model verification and validation are discussed. Fourth, the findings from a closely related earlier study [6] are summarized. These findings provided the basis for the current investigation. Fifth, an aircraft ascent scenario from 0 to 12192 m (0 to 40000 ft) is considered and the resulting crack tip loading at the disbond front is determined. In-plane loading to simulate maneuvers and gust conditions are also considered. Sixth, the results are shown for a curved panel, which was used to simulate potential fuselage applications. Finally, a brief summary of observations is presented and recommendations for improvement are provided.

Chen, Zhi M.↗

DOE OSTI2020

Orthotropic Viscoelastic Modeling of Polymeric Battery Separator

The separator is one of the most important components for battery safety since its failure can cause short-circuit that may lead to thermal runaway. As such, understanding the mechanical behaviors of separators is critical to improve battery safety. Nevertheless, modeling the mechanical behaviors of separators is challenging since they usually depend on multiple factors such as orientation, temperature and strain rate due to the microstructure of separators. Here we develop an orthotropic linear viscoelastic model for separators, which takes both anisotropy and strain rate effects into account. This model is the first step of a future model that considers more factors such as temperature and large deformation. The model has been implemented as a user material model in a finite element package, where a discretization algorithm is developed to evaluate the stiffness-based hereditary integral with a kernel of Prony series. The user model has been applied to a polypropylene (PP) separator Celgard ® 2400. The simulation results agree well with experimental data, which include the rate dependent uniaxial tensile behavior of the separator in the two in-plane material directions and in shear, and the strain contour patterns of every strain component during biaxial tension.

25 ENERGY STORAGE↗

NASA NTRSDate not supplied

Space-borne Doppler Weather Radar Modeling for Radar Design Evaluation

A model has been developed to predict the reflectivity and Doppler performance of a spaceborne weather radar for atmospheric aerosol and cloud monitoring. The goal is to predict radar sensitivity, resolution, uncertainties and other key performance metrics vs. radar design parameters and hardware nonidealities. Analytical formulas are readily available to predict key performance metrics of a space-borne radar system as a function of design parameters such as antenna size, spacecraft velocity, transmit power, and receive noise figure. Effects of some system nonidealities such as antenna pointing errors, power amplifier nonlinearity and phase noise can be estimated using idealized methods. These analytical formulas use idealized forms of the antenna radiation pattern and weather statistics to predict system performance. However, it is desirable to have a more physical model based on discretized weather volumes in which the particle size distribution, Doppler distribution, and other parameters can be varied to study how the radar hardware design parameters and nonidealities affect the measurement of the weather reflectivity and Doppler characteristics. This would allow the radar designers to have more insight into what is being measured and the hardware parameters and errors that need to be carefully controlled to achieve best radar performance, as well as potential methods to calibrate the system or correct errors. This presentation will demonstrate some proof-of-concept Ka-band simulations where the discretized model agrees with the analytical formulas for a simple case where the elements in the discretized weather volume are defined by a constant reflectivity and simple velocity vectors. In particular, the system sensitivity and Doppler uncertainty are evaluated by analytical formulas as well as the discretized model. Future work will expand on this to include more complex weather scenarios and the addition of system nonidealities.

Sara Tucker↗

NASA NTRS1992

Improved inhomogeneous finite elements for fabric reinforced composite mechanics analysis

There is a need to do routine stress/failure analysis of fabric reinforced composite microstructures to provide additional confidence in critical applications and guide materials development. Conventional methods of 3-D stress analysis are time consuming to set up, run and interpret. A need exists for simpler methods of modeling these structures and analyzing the models. The principal difficulty is the discrete element mesh generation problem. Inhomogeneous finite elements are worth investigating for application to these problems because they eliminate the mesh generation problem. However, there are penalties associated with these elements. Their convergence rates can be slow compared to homogeneous elements. Also, there is no accepted method for obtaining detailed stresses in the constituent materials of each element. This paper shows that the convergence rate can be significantly improved by a simple device which substitutes homogeneous elements for the inhomogeneous ones. The device is shown to work well in simple one and two dimensional problems. However, demonstration of the application to more complex two and three dimensional problems remains to be done. Work is also progressing toward more realistic fabric microstructural geometries.

Foye, R. L.↗

DOE OSTI2025

Refining NEAMS MARVEL Reactor Model Accuracy

This report outlines the progress of Idaho National Laboratory (INL) in improving the fidelity of the multiphysics model of the Microreactor Applications Research Validation and Evaluation (MARVEL) reactor developed in FY24. The multiphysics model firstly developed in FY24 leverages three single-physics models coupled via the MOOSE’s MultiApps and Transfer systems. The first single-physics model, that functions as the driver application, leverages Griffin to model the neutron transport in the core through the discontinuous finite element (DFEM) discrete ordinates solver (SN). The second single-physics model uses BISON to compute the solid temperature in the reactor. Finally, the System Analysis Module (SAM) was used to model the flow of the sodium-potassium eutectic in the primary loop. In this report we detail the following improvement and enhancements: • An updated mesh leveraging the latest feature in the reactor module (see Section 3.1.).

42 - ENGINEERING↗

DOE OSTI2021

Experiment and computational fluid dynamics investigation of biochar elutriation in fluidized bed

Here, in fluidized bed biomass fast pyrolysis, the biomass is converted to biochar and elutriated. The elutriation rate is a key parameter in reactor designs and operations. This research presents a video-based continuous measurement of biochar elutriation rate in a fluidized bed with sands and biomass as bed materials. The fluidized bed is simulated with the Computational Fluid Dynamics - Coarse-Grained Discrete Element Method (CFD-CGDEM) in MFiX. The fluidization behavior of non-spherical sands can be more accurately captured when a rolling friction model is used. The predicted elutriation rate is close to the experimental measurement when the particle size distributions are considered and the filtered drag with a shape correction is used. These results validated the accuracy of the MFiX based CFD framework for the prediction of biochar elutriations in the fluidized bed biomass fast pyrolysis reactor.

09 BIOMASS FUELS↗

DOE OSTI2021

Development of a Filtered CFD-DEM Drag Model with Multiscale Markers Using an Artificial Neural Network and Nonlinear Regression

Here, the accuracy of coarse-grained Euler-Lagrangian simulations of fluidized beds heavily depends on the mesoscale drag models to account for the influences of the unresolved sub-grid structures. Traditional filtered drag models are regressed with mesoscale markers such as voidage and slip velocities. In this research, a filtered drag was regressed with both mesoscale and macro-scale markers using fine grid Computational Fluid Dynamics - Discrete Element Method (CFD-DEM) simulations. The traditional non-linear regression method was compared with machine learning regression using an Artificial Neural Network (ANN) implemented in PyTorch and coupled with MFiX. The new drag showed higher accuracy than the Wen-Yu drag and another filtered drag derived from the two-fluid model. The nonlinear regression shows slightly better results than ANN regression in cases with similar R 2 values. The utilization of the gas inlet velocity as an additional macro-scale marker reduced the errors by up to 55.3% in the tested cases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Unified cohesive zone model (UCZM) for fracturing and fragmenting solids

Here, a Unified Cohesive Zone Model (UCZM), which inherits most of the advantages while overcoming the shortcomings of existing Cohesive Zone Models (CZMs), is proposed. Similar to the traditional extrinsic CZM approach, UCZM dynamically inserts the cohesive elements into the system based on local material states (e.g., stress, strain). However, the transition from continua to discontinua is smoothly achieved, thereby eliminating the “time-discontinuous” issue seen in the extrinsic CZM. Moreover, within the novel UCZM framework, the point of transition from continua to discontinua is controllable through the introduction of crack initialization criteria. As a result, the UCZM allows any material models (e.g., elastic, plastic, damage models) for continuum solids and for discrete fracture behavior to work together. In essence, both an enhanced extrinsic cohesive zone model and an intrinsic cohesive zone model can be represented by the proposed unified model. The proposed UCZM has been verified through different numerical examples. The work demonstrates that the UCZM is a highly effective approach for modeling fracture and fragmentation processes in solids.

42 ENGINEERING↗

NASA NTRS2002

Finite Element Modeling of the Buckling Response of Sandwich Panels

A comparative study of different modeling approaches for predicting sandwich panel buckling response is described. The study considers sandwich panels with anisotropic face sheets and a very thick core. Results from conventional analytical solutions for sandwich panel overall buckling and face-sheet-wrinkling type modes are compared with solutions obtained using different finite element modeling approaches. Finite element solutions are obtained using layered shell element models, with and without transverse shear flexibility, layered shell/solid element models, with shell elements for the face sheets and solid elements for the core, and sandwich models using a recently developed specialty sandwich element. Convergence characteristics of the shell/solid and sandwich element modeling approaches with respect to in-plane and through-the-thickness discretization, are demonstrated. Results of the study indicate that the specialty sandwich element provides an accurate and effective modeling approach for predicting both overall and localized sandwich panel buckling response. Furthermore, results indicate that anisotropy of the face sheets, along with the ratio of principle elastic moduli, affect the buckling response and these effects may not be represented accurately by analytical solutions. Modeling recommendations are also provided.

Rose, Cheryl A.↗

DOE OSTI2024

Efficient First-Order Algorithms for Large-Scale, Non-Smooth Maximum Entropy Models with Application to Wildfire Science

Maximum entropy (MaxEnt) models are a class of statistical models that use the maximum entropy principle to estimate probability distributions from data. Due to the size of modern data sets, MaxEnt models need efficient optimization algorithms to scale well for big data applications. State-of-the-art algorithms for MaxEnt models, however, were not originally designed to handle big data sets; these algorithms either rely on technical devices that may yield unreliable numerical results, scale poorly, or require smoothness assumptions that many practical MaxEnt models lack. In this paper, we present novel optimization algorithms that overcome the shortcomings of state-of-the-art algorithms for training large-scale, non-smooth MaxEnt models. Our proposed first-order algorithms leverage the Kullback–Leibler divergence to train large-scale and non-smooth MaxEnt models efficiently. For MaxEnt models with discrete probability distribution of n elements built from samples, each containing m features, the stepsize parameter estimation and iterations in our algorithms scale on the order of O(mn) operations and can be trivially parallelized. Moreover, the strong ℓ1 convexity of the Kullback–Leibler divergence allows for larger stepsize parameters, thereby speeding up the convergence rate of our algorithms. To illustrate the efficiency of our novel algorithms, we consider the problem of estimating probabilities of fire occurrences as a function of ecological features in the Western US MTBS-Interagency wildfire data set. Our numerical results show that our algorithms outperform the state of the art by one order of magnitude and yield results that agree with physical models of wildfire occurrence and previous statistical analyses of wildfire drivers.

Physics↗